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 1xsi_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.153 176.300 -0.244 0.000 1.140 1 M CA 0.000 55.162 55.300 -0.230 0.000 0.988 1 M CB 0.000 32.383 32.600 -0.361 0.000 1.302 2 K N 4.934 125.205 120.400 -0.215 0.000 2.339 2 K HA 0.398 4.718 4.320 0.000 0.000 0.286 2 K C 0.110 176.560 176.600 -0.250 0.000 1.050 2 K CA 0.079 56.247 56.287 -0.198 0.000 0.956 2 K CB 0.852 33.266 32.500 -0.144 0.000 0.990 2 K HN 0.705 nan 8.250 nan 0.000 0.475 3 I N 0.232 120.636 120.570 -0.277 0.000 3.393 3 I HA -0.102 4.068 4.170 0.000 0.000 0.250 3 I C 1.043 177.020 176.117 -0.233 0.000 1.122 3 I CA 0.184 61.287 61.300 -0.328 0.000 1.484 3 I CB -0.029 37.651 38.000 -0.534 0.000 1.468 3 I HN 0.530 nan 8.210 nan 0.000 0.461 4 S N 0.527 116.103 115.700 -0.207 0.000 2.608 4 S HA 0.100 4.570 4.470 0.000 0.000 0.261 4 S C -0.279 174.255 174.600 -0.111 0.000 1.314 4 S CA -0.366 57.748 58.200 -0.144 0.000 0.992 4 S CB 1.286 64.401 63.200 -0.141 0.000 0.935 4 S HN 0.283 nan 8.310 nan 0.000 0.564 5 D N -0.195 120.158 120.400 -0.078 0.000 2.378 5 D HA 0.483 5.123 4.640 0.000 0.000 0.265 5 D C 0.741 177.017 176.300 -0.040 0.000 1.229 5 D CA 0.697 54.666 54.000 -0.052 0.000 0.914 5 D CB 0.055 40.837 40.800 -0.029 0.000 1.140 5 D HN 1.084 nan 8.370 nan 0.000 0.516 6 G N 3.521 112.280 108.800 -0.068 0.000 2.692 6 G HA2 -0.387 3.573 3.960 0.000 0.000 0.248 6 G HA3 -0.387 3.573 3.960 0.000 0.000 0.248 6 G C 0.842 175.619 174.900 -0.205 0.000 1.340 6 G CA 0.183 45.222 45.100 -0.102 0.000 0.896 6 G HN 0.546 nan 8.290 nan 0.000 0.570 7 N N -0.718 117.736 118.700 -0.409 0.000 2.409 7 N HA 0.055 4.795 4.740 0.000 0.000 0.179 7 N C 1.911 177.016 175.510 -0.675 0.000 1.032 7 N CA 2.152 54.781 53.050 -0.701 0.000 0.898 7 N CB -0.070 37.707 38.487 -1.183 0.000 0.971 7 N HN 0.622 nan 8.380 nan 0.000 0.441 8 W N -0.237 121.050 121.300 -0.022 0.000 2.640 8 W HA 0.363 5.023 4.660 0.000 0.000 0.271 8 W C 0.348 176.856 176.519 -0.019 0.000 1.218 8 W CA -0.528 56.806 57.345 -0.018 0.000 1.382 8 W CB 0.260 29.711 29.460 -0.015 0.000 1.067 8 W HN -0.130 nan 8.180 nan 0.000 0.590 9 L N -0.189 121.117 121.223 0.139 0.000 2.260 9 L HA 0.624 4.964 4.340 0.000 0.000 0.265 9 L C -0.357 176.520 176.870 0.013 0.000 1.015 9 L CA -1.328 53.560 54.840 0.080 0.000 0.826 9 L CB 1.430 43.532 42.059 0.072 0.000 1.373 9 L HN -0.318 nan 8.230 nan 0.000 0.450 10 I N -0.175 120.395 120.570 0.001 0.000 2.569 10 I HA 0.235 4.405 4.170 0.000 0.000 0.296 10 I C -0.480 175.611 176.117 -0.043 0.000 1.028 10 I CA -0.945 60.334 61.300 -0.035 0.000 1.082 10 I CB 1.923 39.907 38.000 -0.028 0.000 1.264 10 I HN 0.496 nan 8.210 nan 0.000 0.429 11 Q N 4.466 124.222 119.800 -0.072 0.000 2.310 11 Q HA 0.064 4.404 4.340 0.000 0.000 0.315 11 Q C -2.260 173.707 176.000 -0.055 0.000 1.081 11 Q CA -1.075 54.686 55.803 -0.070 0.000 0.981 11 Q CB -0.211 28.466 28.738 -0.101 0.000 1.184 11 Q HN 0.230 nan 8.270 nan 0.000 0.389 12 P HA 0.003 nan 4.420 nan 0.000 0.264 12 P C 0.552 177.831 177.300 -0.035 0.000 1.193 12 P CA 1.015 64.097 63.100 -0.030 0.000 0.763 12 P CB 0.375 32.061 31.700 -0.024 0.000 0.810 13 G N 2.102 110.885 108.800 -0.029 0.000 2.176 13 G HA2 -0.211 3.749 3.960 0.000 0.000 0.253 13 G HA3 -0.211 3.749 3.960 0.000 0.000 0.253 13 G C -0.190 174.686 174.900 -0.039 0.000 0.979 13 G CA -0.450 44.633 45.100 -0.028 0.000 0.641 13 G HN 0.455 nan 8.290 nan 0.000 0.530 14 L N 1.181 122.373 121.223 -0.053 0.000 2.282 14 L HA 0.475 4.815 4.340 0.000 0.000 0.288 14 L C -0.463 176.370 176.870 -0.061 0.000 1.033 14 L CA -0.979 53.817 54.840 -0.072 0.000 0.807 14 L CB 1.180 43.173 42.059 -0.110 0.000 1.209 14 L HN 0.027 nan 8.230 nan 0.000 0.423 15 N N 5.045 123.707 118.700 -0.064 0.000 2.400 15 N HA 0.583 5.323 4.740 0.000 0.000 0.288 15 N C -0.860 174.605 175.510 -0.076 0.000 1.024 15 N CA -0.437 52.584 53.050 -0.048 0.000 0.894 15 N CB 2.557 41.030 38.487 -0.024 0.000 1.173 15 N HN 0.412 nan 8.380 nan 0.000 0.487 16 L N 2.459 123.637 121.223 -0.074 0.000 2.334 16 L HA 0.676 5.016 4.340 0.000 0.000 0.276 16 L C 0.193 176.933 176.870 -0.217 0.000 1.014 16 L CA -1.077 53.674 54.840 -0.148 0.000 0.815 16 L CB 1.575 43.558 42.059 -0.127 0.000 1.268 16 L HN 0.466 nan 8.230 nan 0.000 0.428 17 I N -1.694 118.704 120.570 -0.287 0.000 2.686 17 I HA 0.585 4.755 4.170 0.000 0.000 0.295 17 I C -1.264 174.682 176.117 -0.285 0.000 1.114 17 I CA -0.569 60.612 61.300 -0.198 0.000 1.038 17 I CB 2.556 40.583 38.000 0.045 0.000 1.238 17 I HN 0.515 nan 8.210 nan 0.000 0.420 18 H N 3.486 122.625 119.070 0.115 0.000 2.821 18 H HA 0.476 5.032 4.556 0.000 0.000 0.373 18 H C -2.733 172.415 175.328 -0.300 0.000 1.165 18 H CA -1.901 54.022 56.048 -0.208 0.000 1.154 18 H CB 2.531 32.177 29.762 -0.193 0.000 1.765 18 H HN 0.448 nan 8.280 nan 0.000 0.549 19 P HA 0.115 nan 4.420 nan 0.000 0.279 19 P C 0.382 177.071 177.300 -1.018 0.000 1.318 19 P CA 0.024 62.718 63.100 -0.677 0.000 0.819 19 P CB 0.820 31.970 31.700 -0.917 0.000 0.927 20 L N 1.902 122.805 121.223 -0.534 0.000 2.609 20 L HA 0.231 4.571 4.340 0.000 0.000 0.230 20 L C 1.083 177.876 176.870 -0.128 0.000 1.087 20 L CA 0.684 55.303 54.840 -0.368 0.000 0.874 20 L CB 0.386 42.375 42.059 -0.117 0.000 1.114 20 L HN 0.449 nan 8.230 nan 0.000 0.488 21 Q N 0.012 119.792 119.800 -0.034 0.000 2.295 21 Q HA 0.288 4.628 4.340 0.000 0.000 0.268 21 Q C -1.333 174.910 176.000 0.404 0.000 1.010 21 Q CA -0.355 55.608 55.803 0.267 0.000 0.856 21 Q CB 3.014 31.848 28.738 0.160 0.000 1.349 21 Q HN -0.167 nan 8.270 nan 0.000 0.412 22 V N 5.244 125.476 119.914 0.529 0.000 2.529 22 V HA 0.012 4.132 4.120 0.000 0.000 0.292 22 V C 0.503 176.810 176.094 0.356 0.000 1.028 22 V CA 0.751 63.327 62.300 0.460 0.000 1.074 22 V CB 0.325 32.336 31.823 0.313 0.000 0.958 22 V HN 0.838 nan 8.190 nan 0.000 0.481 23 F N 3.228 123.327 119.950 0.248 0.000 2.383 23 F HA 0.337 4.864 4.527 0.000 0.000 0.287 23 F C 0.976 176.881 175.800 0.175 0.000 1.069 23 F CA 0.707 58.819 58.000 0.187 0.000 1.402 23 F CB 0.561 39.664 39.000 0.172 0.000 1.116 23 F HN 0.553 nan 8.300 nan 0.000 0.549 24 E N 0.403 120.708 120.200 0.175 0.000 2.378 24 E HA 0.419 4.769 4.350 0.000 0.000 0.283 24 E C -2.002 174.777 176.600 0.299 0.000 0.979 24 E CA -0.587 55.863 56.400 0.084 0.000 0.795 24 E CB 2.221 31.951 29.700 0.049 0.000 1.221 24 E HN -0.130 nan 8.360 nan 0.000 0.428 25 V N 2.896 122.922 119.914 0.186 0.000 2.628 25 V HA 0.565 4.685 4.120 0.000 0.000 0.306 25 V C -0.417 175.783 176.094 0.176 0.000 1.045 25 V CA -0.597 61.814 62.300 0.185 0.000 0.905 25 V CB 1.779 33.669 31.823 0.112 0.000 0.997 25 V HN 0.663 nan 8.190 nan 0.000 0.436 26 E N 2.631 122.943 120.200 0.186 0.000 2.290 26 E HA 0.338 4.688 4.350 0.000 0.000 0.274 26 E C -1.320 175.362 176.600 0.136 0.000 0.889 26 E CA -0.605 55.898 56.400 0.172 0.000 0.760 26 E CB 2.250 32.106 29.700 0.260 0.000 1.206 26 E HN 0.774 nan 8.360 nan 0.000 0.419 27 Q N 3.352 123.220 119.800 0.113 0.000 2.256 27 Q HA 0.213 4.554 4.340 0.000 0.000 0.254 27 Q C -1.051 175.008 176.000 0.098 0.000 0.916 27 Q CA -0.211 55.658 55.803 0.110 0.000 0.932 27 Q CB 1.066 29.862 28.738 0.097 0.000 1.207 27 Q HN 0.460 nan 8.270 nan 0.000 0.426 28 Q N 4.071 123.930 119.800 0.099 0.000 2.454 28 Q HA 0.152 4.492 4.340 0.000 0.000 0.255 28 Q C -0.861 175.186 176.000 0.079 0.000 1.034 28 Q CA -0.517 55.333 55.803 0.077 0.000 0.736 28 Q CB 1.237 30.012 28.738 0.061 0.000 1.210 28 Q HN 0.917 nan 8.270 nan 0.000 0.500 29 D N 2.284 122.727 120.400 0.072 0.000 4.259 29 D HA -0.281 4.359 4.640 0.000 0.000 0.150 29 D C 0.375 176.736 176.300 0.101 0.000 0.731 29 D CA 2.389 56.432 54.000 0.072 0.000 1.138 29 D CB -0.677 40.158 40.800 0.059 0.000 0.540 29 D HN 0.731 nan 8.370 nan 0.000 0.507 30 N N 1.718 120.494 118.700 0.127 0.000 2.273 30 N HA 0.102 4.842 4.740 0.000 0.000 0.231 30 N C -0.738 174.969 175.510 0.329 0.000 1.134 30 N CA 0.116 53.282 53.050 0.194 0.000 0.856 30 N CB 0.176 38.760 38.487 0.161 0.000 1.068 30 N HN 0.530 nan 8.380 nan 0.000 0.510 31 E N 0.357 120.703 120.200 0.243 0.000 2.288 31 E HA 0.345 4.695 4.350 0.000 0.000 0.268 31 E C -1.075 175.634 176.600 0.180 0.000 0.885 31 E CA -0.734 55.785 56.400 0.199 0.000 0.767 31 E CB 2.664 32.417 29.700 0.087 0.000 1.220 31 E HN 0.108 nan 8.360 nan 0.000 0.427 32 M N 2.689 122.371 119.600 0.137 0.000 2.294 32 M HA 0.385 4.865 4.480 0.000 0.000 0.335 32 M C -1.682 174.711 176.300 0.154 0.000 1.079 32 M CA -0.811 54.597 55.300 0.180 0.000 0.982 32 M CB 1.307 34.052 32.600 0.242 0.000 1.651 32 M HN 0.282 nan 8.290 nan 0.000 0.437 33 V N 5.651 125.627 119.914 0.103 0.000 2.417 33 V HA 0.507 4.627 4.120 0.000 0.000 0.291 33 V C -0.630 175.457 176.094 -0.012 0.000 1.024 33 V CA -0.698 61.596 62.300 -0.010 0.000 0.861 33 V CB 1.773 33.531 31.823 -0.107 0.000 0.985 33 V HN 0.667 nan 8.190 nan 0.000 0.436 34 V N 5.455 125.362 119.914 -0.013 0.000 2.448 34 V HA 0.461 4.581 4.120 0.000 0.000 0.295 34 V C -1.029 175.045 176.094 -0.032 0.000 1.025 34 V CA -0.782 61.573 62.300 0.091 0.000 0.859 34 V CB 1.595 33.598 31.823 0.300 0.000 0.988 34 V HN 0.733 nan 8.190 nan 0.000 0.431 35 Y N 2.851 123.323 120.300 0.287 0.000 2.326 35 Y HA 0.705 5.255 4.550 0.000 0.000 0.337 35 Y C 0.474 176.583 175.900 0.348 0.000 1.023 35 Y CA -0.452 57.825 58.100 0.295 0.000 1.143 35 Y CB 1.715 40.371 38.460 0.327 0.000 1.183 35 Y HN 0.701 nan 8.280 nan 0.000 0.485 36 A N 2.420 125.486 122.820 0.409 0.000 2.375 36 A HA 0.821 5.141 4.320 0.000 0.000 0.295 36 A C -0.690 177.030 177.584 0.228 0.000 1.066 36 A CA -0.661 51.566 52.037 0.316 0.000 0.722 36 A CB 0.420 19.527 19.000 0.178 0.000 1.206 36 A HN 0.824 nan 8.150 nan 0.000 0.435 37 A N 3.386 126.314 122.820 0.180 0.000 2.351 37 A HA 0.681 5.001 4.320 0.000 0.000 0.257 37 A C -1.854 175.779 177.584 0.082 0.000 1.087 37 A CA -1.452 50.648 52.037 0.106 0.000 0.798 37 A CB 0.045 19.089 19.000 0.073 0.000 1.033 37 A HN 0.501 nan 8.150 nan 0.000 0.488 38 P HA 0.004 nan 4.420 nan 0.000 0.242 38 P C 0.124 177.445 177.300 0.034 0.000 1.197 38 P CA 0.910 64.064 63.100 0.090 0.000 0.765 38 P CB 0.046 31.809 31.700 0.106 0.000 0.936 39 R N -2.726 117.783 120.500 0.015 0.000 2.929 39 R HA 0.444 4.784 4.340 0.000 0.000 0.259 39 R C -1.073 175.212 176.300 -0.026 0.000 1.141 39 R CA -0.937 55.145 56.100 -0.030 0.000 0.991 39 R CB -0.133 30.126 30.300 -0.067 0.000 1.287 39 R HN -0.353 nan 8.270 nan 0.000 0.450 40 D N 1.704 122.044 120.400 -0.100 0.000 2.344 40 D HA 0.152 4.792 4.640 0.000 0.000 0.253 40 D C 0.191 176.486 176.300 -0.008 0.000 1.255 40 D CA 0.126 54.076 54.000 -0.082 0.000 0.894 40 D CB 1.412 42.096 40.800 -0.194 0.000 1.067 40 D HN 0.437 nan 8.370 nan 0.000 0.492 41 V N 1.855 121.838 119.914 0.116 0.000 2.838 41 V HA 0.339 4.459 4.120 0.000 0.000 0.363 41 V C 1.497 177.756 176.094 0.275 0.000 1.324 41 V CA -0.527 61.900 62.300 0.211 0.000 1.220 41 V CB 0.222 32.144 31.823 0.165 0.000 1.328 41 V HN 0.276 nan 8.190 nan 0.000 0.595 42 R N 0.998 121.617 120.500 0.199 0.000 2.115 42 R HA 0.108 4.448 4.340 0.000 0.000 0.226 42 R C 0.234 176.639 176.300 0.176 0.000 1.100 42 R CA 1.029 57.230 56.100 0.169 0.000 0.980 42 R CB 0.226 30.585 30.300 0.098 0.000 0.875 42 R HN 0.695 nan 8.270 nan 0.000 0.445 43 E N 0.390 120.719 120.200 0.215 0.000 2.174 43 E HA 0.142 4.492 4.350 0.000 0.000 0.282 43 E C 0.310 177.031 176.600 0.201 0.000 0.992 43 E CA -0.406 56.119 56.400 0.209 0.000 0.803 43 E CB 1.180 31.038 29.700 0.263 0.000 1.090 43 E HN 0.005 nan 8.360 nan 0.000 0.396 44 R N 1.351 121.926 120.500 0.126 0.000 2.185 44 R HA -0.196 4.144 4.340 0.000 0.000 0.247 44 R C 2.054 178.369 176.300 0.025 0.000 1.159 44 R CA 1.702 57.852 56.100 0.084 0.000 0.988 44 R CB -0.625 29.705 30.300 0.050 0.000 0.871 44 R HN 0.555 nan 8.270 nan 0.000 0.458 45 T N -0.765 113.772 114.554 -0.029 0.000 2.833 45 T HA -0.146 4.205 4.350 0.000 0.000 0.269 45 T C 1.183 175.695 174.700 -0.313 0.000 1.054 45 T CA 1.090 63.063 62.100 -0.213 0.000 1.135 45 T CB -0.111 68.567 68.868 -0.316 0.000 0.869 45 T HN 0.498 nan 8.240 nan 0.000 0.466 46 W N 0.846 122.152 121.300 0.011 0.000 3.290 46 W HA 0.407 5.067 4.660 0.000 0.000 0.287 46 W C 1.945 178.455 176.519 -0.014 0.000 1.288 46 W CA -0.656 56.692 57.345 0.004 0.000 1.725 46 W CB 0.064 29.533 29.460 0.015 0.000 1.103 46 W HN 0.220 nan 8.180 nan 0.000 0.670 47 Q N 1.283 121.166 119.800 0.138 0.000 2.362 47 Q HA 0.098 4.438 4.340 0.000 0.000 0.215 47 Q C -0.606 175.375 176.000 -0.032 0.000 0.944 47 Q CA 0.425 56.248 55.803 0.034 0.000 0.964 47 Q CB -0.660 28.106 28.738 0.046 0.000 0.998 47 Q HN 0.275 nan 8.270 nan 0.000 0.488 48 L N -6.347 114.875 121.223 -0.002 0.000 2.838 48 L HA 0.494 4.834 4.340 0.000 0.000 0.266 48 L C -0.729 176.146 176.870 0.008 0.000 1.040 48 L CA -1.157 53.668 54.840 -0.024 0.000 0.906 48 L CB 1.097 43.132 42.059 -0.039 0.000 1.501 48 L HN -0.222 nan 8.230 nan 0.000 0.407 49 D N -0.442 119.956 120.400 -0.004 0.000 2.800 49 D HA -0.167 4.473 4.640 0.000 0.000 0.232 49 D C -0.217 176.105 176.300 0.036 0.000 1.137 49 D CA 1.682 55.691 54.000 0.015 0.000 0.718 49 D CB -0.562 40.251 40.800 0.021 0.000 1.084 49 D HN 0.932 nan 8.370 nan 0.000 0.432 50 T N -0.481 114.082 114.554 0.015 0.000 2.933 50 T HA 0.527 4.877 4.350 0.000 0.000 0.305 50 T C -2.610 172.078 174.700 -0.021 0.000 1.092 50 T CA -1.283 60.825 62.100 0.014 0.000 1.008 50 T CB 2.014 70.898 68.868 0.028 0.000 1.102 50 T HN -0.251 nan 8.240 nan 0.000 0.469 51 P HA 0.448 nan 4.420 nan 0.000 0.274 51 P C -1.405 175.805 177.300 -0.151 0.000 1.231 51 P CA -0.822 62.219 63.100 -0.098 0.000 0.790 51 P CB 0.431 32.045 31.700 -0.144 0.000 0.951 52 L N 2.837 123.930 121.223 -0.216 0.000 2.438 52 L HA 0.458 4.798 4.340 0.000 0.000 0.270 52 L C -1.344 175.398 176.870 -0.212 0.000 0.972 52 L CA -0.581 54.182 54.840 -0.129 0.000 0.831 52 L CB 1.063 43.095 42.059 -0.045 0.000 1.273 52 L HN 0.313 nan 8.230 nan 0.000 0.405 53 F N 2.165 122.152 119.950 0.062 0.000 2.385 53 F HA 0.429 4.956 4.527 0.000 0.000 0.336 53 F C 0.852 176.693 175.800 0.068 0.000 1.100 53 F CA -0.114 57.915 58.000 0.048 0.000 1.116 53 F CB 1.843 40.836 39.000 -0.012 0.000 1.166 53 F HN 0.344 nan 8.300 nan 0.000 0.511 54 T N 4.918 119.591 114.554 0.198 0.000 2.770 54 T HA 0.588 4.938 4.350 0.000 0.000 0.283 54 T C -0.713 173.986 174.700 -0.001 0.000 0.988 54 T CA -0.505 61.603 62.100 0.014 0.000 0.957 54 T CB 0.698 69.549 68.868 -0.028 0.000 0.930 54 T HN 0.189 nan 8.240 nan 0.000 0.443 55 L N 3.514 124.698 121.223 -0.065 0.000 2.325 55 L HA 0.576 4.916 4.340 0.000 0.000 0.281 55 L C 0.202 176.903 176.870 -0.282 0.000 1.004 55 L CA -0.493 54.253 54.840 -0.157 0.000 0.823 55 L CB 1.500 43.549 42.059 -0.017 0.000 1.236 55 L HN 0.430 nan 8.230 nan 0.000 0.415 56 R N 3.034 123.300 120.500 -0.390 0.000 2.387 56 R HA 0.618 4.958 4.340 0.000 0.000 0.314 56 R C -1.573 174.463 176.300 -0.440 0.000 0.958 56 R CA -0.471 55.465 56.100 -0.273 0.000 0.846 56 R CB 0.880 31.083 30.300 -0.162 0.000 1.147 56 R HN 0.355 nan 8.270 nan 0.000 0.447 57 F N 6.053 125.893 119.950 -0.183 0.000 2.427 57 F HA 0.487 5.014 4.527 0.000 0.000 0.346 57 F C -0.354 175.008 175.800 -0.729 0.000 1.120 57 F CA -0.572 57.132 58.000 -0.493 0.000 1.033 57 F CB 1.245 39.880 39.000 -0.609 0.000 1.126 57 F HN 0.429 nan 8.300 nan 0.000 0.462 58 F N -0.149 119.405 119.950 -0.659 0.000 2.662 58 F HA 0.738 5.265 4.527 0.000 0.000 0.312 58 F C -1.008 174.803 175.800 0.018 0.000 1.113 58 F CA -1.550 56.238 58.000 -0.354 0.000 0.951 58 F CB 1.535 40.470 39.000 -0.109 0.000 1.344 58 F HN 0.213 nan 8.300 nan 0.000 0.462 59 S N 1.828 117.752 115.700 0.373 0.000 2.596 59 S HA 0.546 5.016 4.470 0.000 0.000 0.318 59 S C -2.111 172.612 174.600 0.204 0.000 1.097 59 S CA -1.475 56.871 58.200 0.245 0.000 1.080 59 S CB 1.418 64.816 63.200 0.330 0.000 0.991 59 S HN 0.610 nan 8.310 nan 0.000 0.471 60 P HA 0.190 nan 4.420 nan 0.000 0.245 60 P C -0.583 176.678 177.300 -0.064 0.000 1.203 60 P CA 0.365 63.499 63.100 0.057 0.000 0.792 60 P CB 0.378 32.075 31.700 -0.004 0.000 0.997 61 Q N -0.350 119.358 119.800 -0.153 0.000 2.438 61 Q HA 0.144 4.484 4.340 0.000 0.000 0.272 61 Q C -0.516 175.419 176.000 -0.108 0.000 0.994 61 Q CA -0.576 55.143 55.803 -0.139 0.000 0.887 61 Q CB 1.706 30.310 28.738 -0.224 0.000 1.432 61 Q HN 0.024 nan 8.270 nan 0.000 0.392 62 E N 0.427 120.587 120.200 -0.067 0.000 2.765 62 E HA -0.014 4.336 4.350 0.000 0.000 0.256 62 E C 0.646 177.206 176.600 -0.066 0.000 0.935 62 E CA 1.996 58.363 56.400 -0.055 0.000 0.954 62 E CB 0.171 29.843 29.700 -0.046 0.000 0.908 62 E HN 0.828 nan 8.360 nan 0.000 0.500 63 G N 4.193 112.965 108.800 -0.048 0.000 2.159 63 G HA2 -0.249 3.711 3.960 0.000 0.000 0.256 63 G HA3 -0.249 3.711 3.960 0.000 0.000 0.256 63 G C 0.335 175.211 174.900 -0.041 0.000 0.977 63 G CA 0.328 45.408 45.100 -0.034 0.000 0.652 63 G HN 0.526 nan 8.290 nan 0.000 0.531 64 I N 0.848 121.371 120.570 -0.077 0.000 2.378 64 I HA 0.492 4.662 4.170 0.000 0.000 0.291 64 I C -0.024 176.088 176.117 -0.008 0.000 0.992 64 I CA -1.157 60.078 61.300 -0.108 0.000 1.154 64 I CB 2.048 39.833 38.000 -0.358 0.000 1.315 64 I HN -0.142 nan 8.210 nan 0.000 0.448 65 V N 5.196 125.139 119.914 0.050 0.000 2.357 65 V HA 0.468 4.588 4.120 0.000 0.000 0.284 65 V C 0.715 176.737 176.094 -0.120 0.000 1.018 65 V CA -0.562 61.787 62.300 0.083 0.000 0.841 65 V CB 1.394 33.384 31.823 0.280 0.000 0.991 65 V HN 0.902 nan 8.190 nan 0.000 0.437 66 G N 3.550 112.050 108.800 -0.501 0.000 2.415 66 G HA2 0.531 4.491 3.960 0.000 0.000 0.269 66 G HA3 0.531 4.491 3.960 0.000 0.000 0.269 66 G C -0.782 173.547 174.900 -0.951 0.000 1.209 66 G CA -0.250 44.133 45.100 -1.196 0.000 0.835 66 G HN 0.582 nan 8.290 nan 0.000 0.534 67 V N 2.615 121.973 119.914 -0.927 0.000 2.482 67 V HA 0.488 4.608 4.120 0.000 0.000 0.295 67 V C 0.047 175.791 176.094 -0.584 0.000 1.026 67 V CA -0.869 60.931 62.300 -0.833 0.000 0.856 67 V CB 1.547 32.782 31.823 -0.980 0.000 1.001 67 V HN 0.831 nan 8.190 nan 0.000 0.424 68 R N 5.181 125.474 120.500 -0.346 0.000 2.360 68 R HA 0.674 5.014 4.340 0.000 0.000 0.318 68 R C -1.324 174.918 176.300 -0.096 0.000 0.950 68 R CA -0.554 55.488 56.100 -0.096 0.000 0.837 68 R CB 1.110 31.397 30.300 -0.022 0.000 1.165 68 R HN 0.734 nan 8.270 nan 0.000 0.458 69 I N 5.361 125.958 120.570 0.044 0.000 2.330 69 I HA 0.225 4.395 4.170 0.000 0.000 0.289 69 I C 0.079 176.335 176.117 0.232 0.000 1.001 69 I CA -0.439 60.918 61.300 0.094 0.000 1.193 69 I CB 1.438 39.481 38.000 0.072 0.000 1.345 69 I HN 0.609 nan 8.210 nan 0.000 0.461 70 E N 5.633 125.972 120.200 0.231 0.000 2.256 70 E HA 0.384 4.734 4.350 0.000 0.000 0.267 70 E C -0.683 176.072 176.600 0.258 0.000 0.892 70 E CA -0.705 55.855 56.400 0.267 0.000 0.775 70 E CB 2.553 32.370 29.700 0.195 0.000 1.207 70 E HN 0.630 nan 8.360 nan 0.000 0.420 71 H N 2.057 121.141 119.070 0.024 0.000 2.560 71 H HA 0.192 4.748 4.556 0.000 0.000 0.324 71 H C -0.359 174.908 175.328 -0.102 0.000 1.329 71 H CA -0.221 55.633 56.048 -0.323 0.000 2.007 71 H CB 0.334 29.661 29.762 -0.725 0.000 1.551 71 H HN 0.387 nan 8.280 nan 0.000 0.623 72 F N 2.199 121.893 119.950 -0.426 0.000 2.420 72 F HA 0.183 4.710 4.527 0.000 0.000 0.352 72 F C 1.410 177.150 175.800 -0.100 0.000 1.108 72 F CA -0.259 57.541 58.000 -0.334 0.000 1.162 72 F CB 1.441 40.258 39.000 -0.303 0.000 1.118 72 F HN 0.433 nan 8.300 nan 0.000 0.510 73 Q N 2.004 121.855 119.800 0.085 0.000 2.398 73 Q HA 0.047 4.387 4.340 0.000 0.000 0.204 73 Q C 1.980 177.992 176.000 0.019 0.000 0.932 73 Q CA 0.626 56.451 55.803 0.037 0.000 0.916 73 Q CB 0.173 28.909 28.738 -0.003 0.000 1.024 73 Q HN 1.003 nan 8.270 nan 0.000 0.504 74 G N 0.777 109.573 108.800 -0.006 0.000 2.776 74 G HA2 0.139 4.099 3.960 0.000 0.000 0.209 74 G HA3 0.139 4.099 3.960 0.000 0.000 0.209 74 G C 0.480 175.393 174.900 0.023 0.000 1.145 74 G CA 0.356 45.439 45.100 -0.029 0.000 0.791 74 G HN 0.318 nan 8.290 nan 0.000 0.530 75 A N -0.259 122.612 122.820 0.084 0.000 2.425 75 A HA 0.500 4.820 4.320 0.000 0.000 0.242 75 A C 1.535 179.174 177.584 0.091 0.000 1.077 75 A CA -0.419 51.685 52.037 0.111 0.000 0.781 75 A CB 0.452 19.557 19.000 0.174 0.000 1.020 75 A HN 0.186 nan 8.150 nan 0.000 0.494 76 L N 0.807 122.083 121.223 0.089 0.000 1.989 76 L HA -0.199 4.141 4.340 0.000 0.000 0.211 76 L C 0.671 177.600 176.870 0.100 0.000 1.071 76 L CA 1.690 56.577 54.840 0.079 0.000 0.749 76 L CB -0.770 41.332 42.059 0.072 0.000 0.890 76 L HN 0.936 nan 8.230 nan 0.000 0.431 77 N N 0.819 119.605 118.700 0.143 0.000 2.671 77 N HA -0.163 4.577 4.740 0.000 0.000 0.261 77 N C -0.695 174.919 175.510 0.173 0.000 1.053 77 N CA -0.204 52.964 53.050 0.196 0.000 0.732 77 N CB -1.046 37.559 38.487 0.196 0.000 0.887 77 N HN 0.387 nan 8.380 nan 0.000 0.546 78 N N 0.277 119.050 118.700 0.121 0.000 2.445 78 N HA 0.298 5.038 4.740 0.000 0.000 0.264 78 N C 1.166 176.640 175.510 -0.060 0.000 1.227 78 N CA 0.173 53.260 53.050 0.061 0.000 0.963 78 N CB 0.534 39.049 38.487 0.046 0.000 1.188 78 N HN 0.353 nan 8.380 nan 0.000 0.491 79 G N 0.264 108.961 108.800 -0.171 0.000 2.611 79 G HA2 0.237 4.197 3.960 0.000 0.000 0.273 79 G HA3 0.237 4.197 3.960 0.000 0.000 0.273 79 G C -2.334 172.376 174.900 -0.317 0.000 1.305 79 G CA -0.500 44.318 45.100 -0.471 0.000 1.010 79 G HN 0.351 nan 8.290 nan 0.000 0.509 80 P HA 0.265 nan 4.420 nan 0.000 0.278 80 P C -0.821 176.002 177.300 -0.794 0.000 1.258 80 P CA -0.279 62.503 63.100 -0.529 0.000 0.811 80 P CB 1.294 32.726 31.700 -0.447 0.000 1.063 81 H N -0.537 118.346 119.070 -0.311 0.000 2.676 81 H HA 0.308 4.864 4.556 0.000 0.000 0.352 81 H C -0.003 175.115 175.328 -0.349 0.000 1.193 81 H CA -0.271 55.596 56.048 -0.302 0.000 1.243 81 H CB 0.127 29.811 29.762 -0.131 0.000 1.751 81 H HN 0.349 nan 8.280 nan 0.000 0.567 82 Y N 1.651 121.881 120.300 -0.116 0.000 2.480 82 Y HA 0.049 4.599 4.550 0.000 0.000 0.338 82 Y C -1.363 174.400 175.900 -0.230 0.000 1.220 82 Y CA -2.328 55.649 58.100 -0.204 0.000 1.430 82 Y CB -0.017 38.353 38.460 -0.150 0.000 1.311 82 Y HN 0.329 nan 8.280 nan 0.000 0.575 83 P HA 0.028 nan 4.420 nan 0.000 0.232 83 P C -0.644 176.508 177.300 -0.247 0.000 1.738 83 P CA 0.036 63.022 63.100 -0.189 0.000 0.948 83 P CB -0.321 31.212 31.700 -0.278 0.000 1.943 84 L N 1.863 122.930 121.223 -0.260 0.000 2.397 84 L HA 0.170 4.510 4.340 0.000 0.000 0.271 84 L C 0.915 177.650 176.870 -0.224 0.000 1.148 84 L CA 0.372 54.947 54.840 -0.442 0.000 0.825 84 L CB -0.215 41.583 42.059 -0.434 0.000 1.117 84 L HN 0.063 nan 8.230 nan 0.000 0.456 85 N N 4.826 123.412 118.700 -0.192 0.000 2.437 85 N HA 0.332 5.072 4.740 0.000 0.000 0.243 85 N C -0.609 174.976 175.510 0.125 0.000 1.041 85 N CA -0.012 53.028 53.050 -0.016 0.000 0.940 85 N CB 1.022 39.495 38.487 -0.024 0.000 1.133 85 N HN 0.421 nan 8.380 nan 0.000 0.506 86 I N 3.628 124.259 120.570 0.102 0.000 2.382 86 I HA 0.279 4.449 4.170 0.000 0.000 0.285 86 I C -0.023 176.153 176.117 0.098 0.000 1.007 86 I CA -0.639 60.752 61.300 0.151 0.000 1.142 86 I CB 1.141 39.247 38.000 0.176 0.000 1.289 86 I HN 0.137 nan 8.210 nan 0.000 0.453 87 L N 5.925 127.201 121.223 0.089 0.000 2.375 87 L HA 0.333 4.673 4.340 0.000 0.000 0.271 87 L C 0.977 177.898 176.870 0.085 0.000 1.107 87 L CA -0.582 54.297 54.840 0.066 0.000 0.806 87 L CB 0.851 42.935 42.059 0.043 0.000 1.146 87 L HN 0.550 nan 8.230 nan 0.000 0.447 88 Q N 1.306 121.146 119.800 0.066 0.000 2.356 88 Q HA 0.003 4.343 4.340 0.000 0.000 0.205 88 Q C 0.207 176.248 176.000 0.068 0.000 0.901 88 Q CA 0.401 56.245 55.803 0.068 0.000 0.938 88 Q CB 0.388 29.153 28.738 0.045 0.000 1.081 88 Q HN 0.779 nan 8.270 nan 0.000 0.517 89 D N -1.346 119.089 120.400 0.058 0.000 2.571 89 D HA 0.052 4.692 4.640 0.000 0.000 0.239 89 D C 0.047 176.372 176.300 0.042 0.000 1.267 89 D CA -0.383 53.645 54.000 0.047 0.000 0.823 89 D CB -0.016 40.803 40.800 0.031 0.000 1.056 89 D HN -0.252 nan 8.370 nan 0.000 0.494 90 V N 1.175 121.122 119.914 0.056 0.000 2.599 90 V HA -0.021 4.099 4.120 0.000 0.000 0.300 90 V C 0.854 176.963 176.094 0.025 0.000 1.034 90 V CA -0.161 62.162 62.300 0.037 0.000 1.115 90 V CB 0.733 32.586 31.823 0.051 0.000 0.934 90 V HN 0.140 nan 8.190 nan 0.000 0.485 91 K N 4.597 124.995 120.400 -0.005 0.000 2.383 91 K HA 0.416 4.736 4.320 0.000 0.000 0.286 91 K C -0.503 176.057 176.600 -0.067 0.000 1.051 91 K CA -0.245 56.026 56.287 -0.026 0.000 0.974 91 K CB 0.642 33.124 32.500 -0.030 0.000 0.968 91 K HN 0.643 nan 8.250 nan 0.000 0.475 92 V N 0.225 120.082 119.914 -0.094 0.000 3.102 92 V HA 0.633 4.753 4.120 0.000 0.000 0.312 92 V C -0.739 175.230 176.094 -0.208 0.000 1.135 92 V CA -0.756 61.408 62.300 -0.227 0.000 1.022 92 V CB 2.129 33.739 31.823 -0.354 0.000 1.056 92 V HN 0.652 nan 8.190 nan 0.000 0.436 93 T N 2.867 117.237 114.554 -0.305 0.000 2.848 93 T HA 0.749 5.099 4.350 0.000 0.000 0.285 93 T C -0.705 173.861 174.700 -0.224 0.000 0.995 93 T CA -0.061 61.918 62.100 -0.202 0.000 0.970 93 T CB 1.143 69.914 68.868 -0.162 0.000 0.976 93 T HN 0.673 nan 8.240 nan 0.000 0.441 94 I N 3.019 123.536 120.570 -0.088 0.000 2.418 94 I HA 0.357 4.527 4.170 0.000 0.000 0.287 94 I C -0.235 175.879 176.117 -0.006 0.000 1.008 94 I CA -0.585 60.709 61.300 -0.009 0.000 1.104 94 I CB 1.797 39.857 38.000 0.100 0.000 1.264 94 I HN 0.544 nan 8.210 nan 0.000 0.438 95 E N 4.801 124.994 120.200 -0.011 0.000 2.155 95 E HA 0.298 4.648 4.350 0.000 0.000 0.264 95 E C -0.879 175.727 176.600 0.010 0.000 0.886 95 E CA -0.733 55.665 56.400 -0.004 0.000 0.752 95 E CB 1.564 31.256 29.700 -0.012 0.000 1.133 95 E HN 0.290 nan 8.360 nan 0.000 0.414 96 N N 2.883 121.592 118.700 0.017 0.000 2.621 96 N HA 0.134 4.874 4.740 0.000 0.000 0.237 96 N C -1.005 174.511 175.510 0.010 0.000 0.997 96 N CA -0.220 52.842 53.050 0.020 0.000 0.918 96 N CB 0.780 39.285 38.487 0.030 0.000 1.122 96 N HN 0.540 nan 8.380 nan 0.000 0.510 97 T N -0.365 114.194 114.554 0.008 0.000 2.889 97 T HA 0.317 4.667 4.350 0.000 0.000 0.278 97 T C 1.022 175.700 174.700 -0.035 0.000 0.995 97 T CA -0.433 61.658 62.100 -0.016 0.000 0.966 97 T CB 1.166 70.020 68.868 -0.023 0.000 1.237 97 T HN 0.349 nan 8.240 nan 0.000 0.591 98 E N -0.393 119.769 120.200 -0.063 0.000 2.216 98 E HA 0.034 4.384 4.350 0.000 0.000 0.192 98 E C 2.197 178.729 176.600 -0.113 0.000 0.988 98 E CA 0.767 57.125 56.400 -0.071 0.000 0.834 98 E CB 0.005 29.664 29.700 -0.068 0.000 0.772 98 E HN 0.621 nan 8.360 nan 0.000 0.479 99 R N -1.558 118.821 120.500 -0.201 0.000 2.128 99 R HA 0.175 4.515 4.340 0.000 0.000 0.211 99 R C -0.182 175.881 176.300 -0.396 0.000 1.067 99 R CA 0.577 56.433 56.100 -0.408 0.000 1.010 99 R CB 0.349 30.242 30.300 -0.678 0.000 0.922 99 R HN 0.157 nan 8.270 nan 0.000 0.457 100 Y N -1.653 118.608 120.300 -0.065 0.000 2.615 100 Y HA 0.599 5.149 4.550 0.000 0.000 0.341 100 Y C -0.881 174.958 175.900 -0.101 0.000 1.089 100 Y CA -1.636 56.401 58.100 -0.104 0.000 1.049 100 Y CB 2.138 40.528 38.460 -0.116 0.000 1.296 100 Y HN -0.079 nan 8.280 nan 0.000 0.470 101 A N 1.557 124.403 122.820 0.043 0.000 2.355 101 A HA 0.696 5.016 4.320 0.000 0.000 0.317 101 A C -1.330 176.172 177.584 -0.136 0.000 1.094 101 A CA -0.561 51.455 52.037 -0.034 0.000 0.764 101 A CB 1.690 20.663 19.000 -0.045 0.000 1.230 101 A HN 0.742 nan 8.150 nan 0.000 0.448 102 E N 1.594 121.732 120.200 -0.104 0.000 2.290 102 E HA 0.551 4.901 4.350 0.000 0.000 0.274 102 E C -2.128 174.437 176.600 -0.059 0.000 0.889 102 E CA -0.452 55.857 56.400 -0.151 0.000 0.760 102 E CB 1.523 31.133 29.700 -0.150 0.000 1.206 102 E HN 0.572 nan 8.360 nan 0.000 0.419 103 F N 4.010 123.815 119.950 -0.242 0.000 2.482 103 F HA 0.555 5.082 4.527 0.000 0.000 0.331 103 F C -1.149 174.595 175.800 -0.094 0.000 1.115 103 F CA -0.547 57.372 58.000 -0.135 0.000 0.955 103 F CB 1.293 40.222 39.000 -0.119 0.000 1.136 103 F HN 0.328 nan 8.300 nan 0.000 0.452 104 K N 4.211 124.164 120.400 -0.746 0.000 2.482 104 K HA 0.513 4.833 4.320 0.000 0.000 0.251 104 K C -1.748 174.536 176.600 -0.526 0.000 0.936 104 K CA -0.617 55.407 56.287 -0.440 0.000 0.791 104 K CB 1.867 34.217 32.500 -0.249 0.000 1.213 104 K HN 0.604 nan 8.250 nan 0.000 0.428 105 S N 3.107 118.650 115.700 -0.261 0.000 2.707 105 S HA 0.615 5.085 4.470 0.000 0.000 0.312 105 S C 0.331 174.881 174.600 -0.084 0.000 1.116 105 S CA 0.559 58.663 58.200 -0.160 0.000 1.078 105 S CB 0.724 63.901 63.200 -0.039 0.000 0.997 105 S HN 1.067 nan 8.310 nan 0.000 0.477 106 G N 5.455 114.205 108.800 -0.085 0.000 2.591 106 G HA2 -0.323 3.637 3.960 0.000 0.000 0.298 106 G HA3 -0.323 3.637 3.960 0.000 0.000 0.298 106 G C 0.548 175.416 174.900 -0.054 0.000 1.195 106 G CA 0.493 45.558 45.100 -0.058 0.000 0.989 106 G HN 0.676 nan 8.290 nan 0.000 0.551 107 N N 0.322 119.002 118.700 -0.035 0.000 2.336 107 N HA 0.178 4.918 4.740 0.000 0.000 0.189 107 N C 0.385 175.885 175.510 -0.018 0.000 1.113 107 N CA 0.343 53.377 53.050 -0.027 0.000 0.858 107 N CB 0.329 38.807 38.487 -0.015 0.000 0.970 107 N HN 0.391 nan 8.380 nan 0.000 0.471 108 L N 1.194 122.411 121.223 -0.011 0.000 2.282 108 L HA 0.363 4.703 4.340 0.000 0.000 0.288 108 L C 0.039 176.923 176.870 0.024 0.000 1.033 108 L CA -0.483 54.370 54.840 0.022 0.000 0.807 108 L CB 1.313 43.399 42.059 0.046 0.000 1.209 108 L HN -0.015 nan 8.230 nan 0.000 0.423 109 S N 3.956 119.678 115.700 0.037 0.000 2.568 109 S HA 0.963 5.433 4.470 0.000 0.000 0.293 109 S C -0.756 173.878 174.600 0.056 0.000 1.089 109 S CA -0.376 57.838 58.200 0.023 0.000 0.945 109 S CB 1.773 64.927 63.200 -0.077 0.000 1.077 109 S HN 1.002 nan 8.310 nan 0.000 0.485 110 A N 2.039 124.858 122.820 -0.003 0.000 2.318 110 A HA 0.814 5.134 4.320 0.000 0.000 0.324 110 A C -0.176 177.129 177.584 -0.465 0.000 1.170 110 A CA -0.833 51.019 52.037 -0.307 0.000 0.810 110 A CB 0.880 19.736 19.000 -0.240 0.000 1.198 110 A HN 0.876 nan 8.150 nan 0.000 0.484 111 R N 2.370 122.531 120.500 -0.566 0.000 2.513 111 R HA 0.597 4.937 4.340 0.000 0.000 0.301 111 R C -1.870 174.081 176.300 -0.582 0.000 0.968 111 R CA -0.360 55.419 56.100 -0.534 0.000 0.872 111 R CB 1.845 31.827 30.300 -0.531 0.000 1.177 111 R HN 0.506 nan 8.270 nan 0.000 0.444 112 V N 2.932 122.538 119.914 -0.513 0.000 2.398 112 V HA 0.302 4.423 4.120 0.000 0.000 0.286 112 V C 0.012 175.914 176.094 -0.320 0.000 1.026 112 V CA -0.636 61.338 62.300 -0.544 0.000 0.868 112 V CB 1.840 33.334 31.823 -0.548 0.000 0.982 112 V HN 0.780 nan 8.190 nan 0.000 0.443 113 S N 4.591 120.092 115.700 -0.332 0.000 2.548 113 S HA 0.342 4.812 4.470 0.000 0.000 0.277 113 S C 0.080 174.664 174.600 -0.026 0.000 1.315 113 S CA -0.564 57.643 58.200 0.012 0.000 1.050 113 S CB 0.459 63.698 63.200 0.065 0.000 0.918 113 S HN 0.611 nan 8.310 nan 0.000 0.497 114 K N 1.660 122.090 120.400 0.050 0.000 2.098 114 K HA 0.623 4.943 4.320 0.000 0.000 0.257 114 K C 0.828 177.466 176.600 0.063 0.000 0.999 114 K CA -0.190 56.130 56.287 0.055 0.000 0.924 114 K CB 0.810 33.321 32.500 0.019 0.000 1.028 114 K HN 0.871 nan 8.250 nan 0.000 0.466 115 G N 1.320 110.165 108.800 0.074 0.000 2.615 115 G HA2 -0.307 3.653 3.960 0.000 0.000 0.218 115 G HA3 -0.307 3.653 3.960 0.000 0.000 0.218 115 G C 0.627 175.528 174.900 0.002 0.000 1.339 115 G CA 0.376 45.490 45.100 0.022 0.000 0.884 115 G HN 0.763 nan 8.290 nan 0.000 0.559 116 E N -0.603 119.495 120.200 -0.169 0.000 2.153 116 E HA 0.019 4.369 4.350 0.000 0.000 0.194 116 E C 1.121 177.563 176.600 -0.262 0.000 0.988 116 E CA 1.633 57.839 56.400 -0.324 0.000 0.811 116 E CB -0.183 29.121 29.700 -0.660 0.000 0.746 116 E HN 0.416 nan 8.360 nan 0.000 0.466 117 F N 1.720 121.730 119.950 0.099 0.000 2.573 117 F HA 0.183 4.710 4.527 0.000 0.000 0.349 117 F C 0.244 176.123 175.800 0.132 0.000 1.213 117 F CA -1.077 56.985 58.000 0.103 0.000 1.300 117 F CB -0.494 38.541 39.000 0.059 0.000 1.661 117 F HN 0.105 nan 8.300 nan 0.000 0.616 118 W N 2.651 124.034 121.300 0.138 0.000 2.274 118 W HA 0.275 4.935 4.660 0.000 0.000 0.345 118 W C -0.183 176.384 176.519 0.081 0.000 1.265 118 W CA 0.630 58.030 57.345 0.091 0.000 1.293 118 W CB 1.012 30.504 29.460 0.053 0.000 1.175 118 W HN 0.356 nan 8.180 nan 0.000 0.577 119 S N 6.999 122.269 115.700 -0.718 0.000 2.596 119 S HA 0.297 4.767 4.470 0.000 0.000 0.305 119 S C -1.905 172.277 174.600 -0.696 0.000 1.086 119 S CA -0.896 57.037 58.200 -0.445 0.000 0.909 119 S CB 0.318 63.410 63.200 -0.180 0.000 1.106 119 S HN 0.557 nan 8.310 nan 0.000 0.450 120 L N 4.051 125.008 121.223 -0.443 0.000 2.287 120 L HA 0.646 4.986 4.340 0.000 0.000 0.287 120 L C -1.337 175.279 176.870 -0.423 0.000 1.022 120 L CA -0.337 54.246 54.840 -0.428 0.000 0.814 120 L CB 1.016 42.981 42.059 -0.157 0.000 1.217 120 L HN 0.727 nan 8.230 nan 0.000 0.420 121 D N 4.640 124.700 120.400 -0.568 0.000 2.498 121 D HA 0.405 5.045 4.640 0.000 0.000 0.247 121 D C -1.010 174.873 176.300 -0.695 0.000 1.070 121 D CA 0.081 53.792 54.000 -0.482 0.000 0.842 121 D CB 1.872 42.463 40.800 -0.349 0.000 1.361 121 D HN 0.124 nan 8.370 nan 0.000 0.484 122 F N 1.386 121.269 119.950 -0.111 0.000 2.427 122 F HA 0.402 4.929 4.527 0.000 0.000 0.346 122 F C -0.239 175.485 175.800 -0.126 0.000 1.120 122 F CA -0.863 57.070 58.000 -0.111 0.000 1.033 122 F CB 1.012 39.944 39.000 -0.114 0.000 1.126 122 F HN -0.065 nan 8.300 nan 0.000 0.462 123 L N 3.338 124.578 121.223 0.028 0.000 2.365 123 L HA 0.525 4.865 4.340 0.000 0.000 0.273 123 L C -0.264 176.609 176.870 0.004 0.000 1.000 123 L CA -0.916 53.911 54.840 -0.021 0.000 0.819 123 L CB 1.816 43.824 42.059 -0.084 0.000 1.284 123 L HN 0.624 nan 8.230 nan 0.000 0.418 124 R N 3.157 123.659 120.500 0.004 0.000 2.265 124 R HA 0.333 4.673 4.340 0.000 0.000 0.328 124 R C -0.132 176.165 176.300 -0.006 0.000 0.969 124 R CA -0.335 55.770 56.100 0.008 0.000 0.832 124 R CB 0.356 30.672 30.300 0.028 0.000 1.139 124 R HN 0.622 nan 8.270 nan 0.000 0.457 125 N N 3.572 122.263 118.700 -0.016 0.000 2.699 125 N HA -0.225 4.515 4.740 0.000 0.000 0.256 125 N C 0.554 176.046 175.510 -0.029 0.000 0.993 125 N CA 1.625 54.661 53.050 -0.024 0.000 0.759 125 N CB -0.892 37.585 38.487 -0.016 0.000 0.906 125 N HN 1.099 nan 8.380 nan 0.000 0.541 126 G N -0.914 107.860 108.800 -0.043 0.000 2.189 126 G HA2 -0.337 3.623 3.960 0.000 0.000 0.267 126 G HA3 -0.337 3.623 3.960 0.000 0.000 0.267 126 G C -0.157 174.714 174.900 -0.048 0.000 0.975 126 G CA 0.847 45.914 45.100 -0.055 0.000 0.644 126 G HN 0.629 nan 8.290 nan 0.000 0.537 127 E N 0.212 120.395 120.200 -0.030 0.000 2.197 127 E HA 0.406 4.756 4.350 0.000 0.000 0.281 127 E C 0.221 176.810 176.600 -0.019 0.000 0.995 127 E CA -0.925 55.463 56.400 -0.021 0.000 0.808 127 E CB 1.603 31.301 29.700 -0.003 0.000 1.093 127 E HN 0.339 nan 8.360 nan 0.000 0.394 128 R N 3.449 123.934 120.500 -0.025 0.000 2.296 128 R HA 0.093 4.433 4.340 0.000 0.000 0.323 128 R C 1.172 177.477 176.300 0.008 0.000 1.067 128 R CA 0.032 56.118 56.100 -0.024 0.000 0.946 128 R CB 0.112 30.386 30.300 -0.042 0.000 0.991 128 R HN 0.703 nan 8.270 nan 0.000 0.448 129 I N -0.140 120.434 120.570 0.006 0.000 3.265 129 I HA 0.238 4.408 4.170 0.000 0.000 0.282 129 I C 0.618 176.712 176.117 -0.039 0.000 1.207 129 I CA -0.029 61.279 61.300 0.014 0.000 1.449 129 I CB 0.589 38.592 38.000 0.006 0.000 1.121 129 I HN 0.504 nan 8.210 nan 0.000 0.442 130 T N -0.860 113.658 114.554 -0.060 0.000 2.658 130 T HA 0.688 5.038 4.350 0.000 0.000 0.306 130 T C -1.057 173.746 174.700 0.171 0.000 1.544 130 T CA 0.043 62.149 62.100 0.011 0.000 0.991 130 T CB 1.270 70.029 68.868 -0.181 0.000 1.774 130 T HN 0.658 nan 8.240 nan 0.000 0.479 131 G N 0.429 109.364 108.800 0.226 0.000 2.321 131 G HA2 0.461 4.421 3.960 0.000 0.000 0.298 131 G HA3 0.461 4.421 3.960 0.000 0.000 0.298 131 G C -1.423 173.579 174.900 0.169 0.000 1.385 131 G CA 0.260 45.495 45.100 0.225 0.000 0.856 131 G HN 0.934 nan 8.290 nan 0.000 0.584 132 S N -0.586 115.197 115.700 0.138 0.000 2.449 132 S HA 0.617 5.087 4.470 0.000 0.000 0.310 132 S C 0.056 174.715 174.600 0.099 0.000 1.096 132 S CA -0.387 57.884 58.200 0.119 0.000 1.095 132 S CB 1.128 64.427 63.200 0.164 0.000 1.007 132 S HN 0.568 nan 8.310 nan 0.000 0.474 133 Q N 1.799 121.649 119.800 0.082 0.000 2.256 133 Q HA 0.385 4.725 4.340 0.000 0.000 0.232 133 Q C -0.211 175.882 176.000 0.155 0.000 0.965 133 Q CA -0.685 55.177 55.803 0.098 0.000 0.908 133 Q CB 1.273 30.039 28.738 0.048 0.000 1.209 133 Q HN 0.603 nan 8.270 nan 0.000 0.489 134 V N 2.689 122.734 119.914 0.219 0.000 2.584 134 V HA -0.158 3.962 4.120 0.000 0.000 0.303 134 V C 0.108 176.165 176.094 -0.062 0.000 1.035 134 V CA 1.339 63.747 62.300 0.181 0.000 1.172 134 V CB -0.546 31.400 31.823 0.206 0.000 0.896 134 V HN 0.823 nan 8.190 nan 0.000 0.486 135 K N 3.187 123.444 120.400 -0.238 0.000 3.467 135 K HA -0.151 4.169 4.320 0.000 0.000 0.309 135 K C 0.466 176.889 176.600 -0.294 0.000 1.350 135 K CA 0.996 56.930 56.287 -0.588 0.000 0.934 135 K CB -1.291 30.838 32.500 -0.619 0.000 1.312 135 K HN 0.775 nan 8.250 nan 0.000 0.461 136 N N 1.138 119.769 118.700 -0.115 0.000 2.230 136 N HA 0.019 4.760 4.740 0.000 0.000 0.202 136 N C -0.437 174.931 175.510 -0.236 0.000 1.119 136 N CA 0.260 53.309 53.050 -0.001 0.000 0.851 136 N CB 0.282 38.772 38.487 0.005 0.000 0.990 136 N HN 0.496 nan 8.380 nan 0.000 0.497 137 N N -1.134 117.274 118.700 -0.487 0.000 2.571 137 N HA 0.777 5.517 4.740 0.000 0.000 0.273 137 N C 0.312 175.188 175.510 -1.057 0.000 1.340 137 N CA -0.487 51.915 53.050 -1.080 0.000 0.789 137 N CB 1.523 39.684 38.487 -0.542 0.000 1.514 137 N HN -0.030 nan 8.380 nan 0.000 0.499 138 G N -1.522 106.602 108.800 -1.127 0.000 2.288 138 G HA2 0.128 4.088 3.960 0.000 0.000 0.227 138 G HA3 0.128 4.088 3.960 0.000 0.000 0.227 138 G C -2.293 172.601 174.900 -0.009 0.000 1.339 138 G CA -0.784 43.966 45.100 -0.583 0.000 1.057 138 G HN 0.679 nan 8.290 nan 0.000 0.470 139 Y N 0.196 120.520 120.300 0.040 0.000 2.393 139 Y HA 0.688 5.239 4.550 0.000 0.000 0.341 139 Y C -0.265 175.657 175.900 0.037 0.000 0.988 139 Y CA -1.007 57.121 58.100 0.048 0.000 1.078 139 Y CB 2.253 40.619 38.460 -0.156 0.000 1.203 139 Y HN 0.500 nan 8.280 nan 0.000 0.453 140 V N 6.339 126.085 119.914 -0.281 0.000 2.444 140 V HA 0.302 4.422 4.120 0.000 0.000 0.294 140 V C -0.685 175.123 176.094 -0.477 0.000 1.022 140 V CA -0.902 61.235 62.300 -0.272 0.000 0.850 140 V CB 1.460 33.200 31.823 -0.140 0.000 0.992 140 V HN 0.741 nan 8.190 nan 0.000 0.426 141 Q N 3.477 123.058 119.800 -0.365 0.000 2.398 141 Q HA 0.244 4.584 4.340 0.000 0.000 0.251 141 Q C -0.772 175.157 176.000 -0.118 0.000 0.999 141 Q CA -0.541 55.097 55.803 -0.275 0.000 0.874 141 Q CB 1.046 29.687 28.738 -0.160 0.000 1.215 141 Q HN 0.764 nan 8.270 nan 0.000 0.470 142 D N 3.257 123.621 120.400 -0.059 0.000 2.365 142 D HA 0.076 4.716 4.640 0.000 0.000 0.237 142 D C 0.152 176.441 176.300 -0.018 0.000 1.190 142 D CA 0.058 54.057 54.000 -0.003 0.000 0.867 142 D CB 1.516 42.386 40.800 0.116 0.000 1.050 142 D HN 0.546 nan 8.370 nan 0.000 0.491 143 T N 3.008 117.549 114.554 -0.022 0.000 3.088 143 T HA -0.017 4.333 4.350 0.000 0.000 0.259 143 T C 1.389 176.084 174.700 -0.009 0.000 1.122 143 T CA 0.325 62.416 62.100 -0.014 0.000 1.095 143 T CB 0.100 68.959 68.868 -0.015 0.000 0.930 143 T HN 0.406 nan 8.240 nan 0.000 0.508 144 N N 2.528 121.222 118.700 -0.010 0.000 2.409 144 N HA -0.025 4.715 4.740 0.000 0.000 0.179 144 N C 1.166 176.674 175.510 -0.003 0.000 1.032 144 N CA 0.791 53.837 53.050 -0.008 0.000 0.898 144 N CB 0.039 38.519 38.487 -0.013 0.000 0.971 144 N HN 0.582 nan 8.380 nan 0.000 0.441 145 N N -0.547 118.153 118.700 0.000 0.000 2.036 145 N HA -0.043 4.697 4.740 0.000 0.000 0.228 145 N C -0.462 175.042 175.510 -0.011 0.000 1.368 145 N CA 0.099 53.149 53.050 0.000 0.000 0.846 145 N CB 0.229 38.723 38.487 0.012 0.000 1.145 145 N HN -0.278 nan 8.380 nan 0.000 0.502 146 Q N -0.510 119.280 119.800 -0.016 0.000 2.468 146 Q HA -0.242 4.098 4.340 0.000 0.000 0.256 146 Q C -0.772 175.186 176.000 -0.069 0.000 0.984 146 Q CA 1.026 56.812 55.803 -0.029 0.000 1.110 146 Q CB -2.626 26.104 28.738 -0.012 0.000 1.527 146 Q HN 0.661 nan 8.270 nan 0.000 0.535 147 R N 0.937 121.376 120.500 -0.101 0.000 2.486 147 R HA 0.541 4.881 4.340 0.000 0.000 0.286 147 R C 0.149 176.214 176.300 -0.392 0.000 0.999 147 R CA -0.622 55.319 56.100 -0.265 0.000 0.993 147 R CB 0.831 30.953 30.300 -0.296 0.000 1.084 147 R HN 0.092 nan 8.270 nan 0.000 0.487 148 N N 1.889 120.242 118.700 -0.578 0.000 2.269 148 N HA 0.346 5.086 4.740 0.000 0.000 0.304 148 N C -1.352 173.710 175.510 -0.747 0.000 1.072 148 N CA -0.467 52.227 53.050 -0.593 0.000 0.802 148 N CB 1.898 40.147 38.487 -0.397 0.000 1.348 148 N HN 0.401 nan 8.380 nan 0.000 0.484 149 Y N 0.120 120.217 120.300 -0.338 0.000 2.545 149 Y HA 0.507 5.057 4.550 0.000 0.000 0.348 149 Y C 0.186 176.042 175.900 -0.072 0.000 1.002 149 Y CA -1.044 56.954 58.100 -0.171 0.000 1.039 149 Y CB 1.730 40.096 38.460 -0.157 0.000 1.271 149 Y HN 0.151 nan 8.280 nan 0.000 0.467 150 M N 3.213 122.923 119.600 0.183 0.000 2.472 150 M HA 0.502 4.983 4.480 0.000 0.000 0.331 150 M C -1.043 175.369 176.300 0.187 0.000 1.170 150 M CA -0.709 54.711 55.300 0.199 0.000 1.009 150 M CB 1.470 34.152 32.600 0.138 0.000 1.672 150 M HN 0.733 nan 8.290 nan 0.000 0.453 151 F N 0.147 120.061 119.950 -0.059 0.000 2.631 151 F HA 0.826 5.353 4.527 0.000 0.000 0.308 151 F C -1.265 174.379 175.800 -0.260 0.000 1.097 151 F CA -0.954 56.938 58.000 -0.180 0.000 0.952 151 F CB 1.559 40.446 39.000 -0.187 0.000 1.307 151 F HN 0.550 nan 8.300 nan 0.000 0.450 152 E N 1.351 121.199 120.200 -0.587 0.000 2.367 152 E HA 0.586 4.936 4.350 0.000 0.000 0.273 152 E C -1.765 174.459 176.600 -0.625 0.000 0.903 152 E CA -0.749 55.197 56.400 -0.757 0.000 0.764 152 E CB 2.019 31.108 29.700 -1.017 0.000 1.252 152 E HN 0.735 nan 8.360 nan 0.000 0.446 153 R N 3.456 123.762 120.500 -0.323 0.000 2.451 153 R HA 0.470 4.810 4.340 0.000 0.000 0.307 153 R C -0.645 175.613 176.300 -0.071 0.000 0.965 153 R CA -0.701 55.304 56.100 -0.158 0.000 0.865 153 R CB 1.005 31.294 30.300 -0.020 0.000 1.174 153 R HN 0.435 nan 8.270 nan 0.000 0.455 154 L N 2.843 124.078 121.223 0.020 0.000 2.289 154 L HA 0.297 4.637 4.340 0.000 0.000 0.285 154 L C 0.036 176.995 176.870 0.148 0.000 1.049 154 L CA -0.888 54.040 54.840 0.145 0.000 0.804 154 L CB 1.139 43.360 42.059 0.271 0.000 1.195 154 L HN 0.383 nan 8.230 nan 0.000 0.428 155 D N 3.164 123.644 120.400 0.133 0.000 2.399 155 D HA 0.343 4.983 4.640 0.000 0.000 0.241 155 D C -0.288 176.093 176.300 0.136 0.000 1.133 155 D CA 0.306 54.367 54.000 0.101 0.000 0.890 155 D CB 1.116 41.964 40.800 0.080 0.000 1.201 155 D HN 0.222 nan 8.370 nan 0.000 0.432 156 L N 1.288 122.566 121.223 0.091 0.000 2.341 156 L HA 0.500 4.840 4.340 0.000 0.000 0.278 156 L C 1.083 177.992 176.870 0.064 0.000 1.005 156 L CA -0.894 54.000 54.840 0.090 0.000 0.818 156 L CB 1.938 44.018 42.059 0.035 0.000 1.259 156 L HN 0.297 nan 8.230 nan 0.000 0.418 157 G N 1.631 110.477 108.800 0.076 0.000 2.580 157 G HA2 0.407 4.367 3.960 0.000 0.000 0.278 157 G HA3 0.407 4.367 3.960 0.000 0.000 0.278 157 G C -0.070 174.851 174.900 0.034 0.000 1.212 157 G CA -0.609 44.522 45.100 0.052 0.000 0.939 157 G HN 0.321 nan 8.290 nan 0.000 0.513 158 V N 0.940 120.869 119.914 0.025 0.000 2.625 158 V HA 0.275 4.395 4.120 0.000 0.000 0.305 158 V C 1.728 177.836 176.094 0.024 0.000 1.055 158 V CA 1.666 63.978 62.300 0.020 0.000 1.209 158 V CB 0.065 31.898 31.823 0.017 0.000 0.877 158 V HN 1.860 nan 8.190 nan 0.000 0.489 159 G N 3.343 112.158 108.800 0.024 0.000 2.179 159 G HA2 -0.290 3.670 3.960 0.000 0.000 0.257 159 G HA3 -0.290 3.670 3.960 0.000 0.000 0.257 159 G C 0.133 175.041 174.900 0.014 0.000 1.010 159 G CA 0.501 45.621 45.100 0.033 0.000 0.736 159 G HN 0.943 nan 8.290 nan 0.000 0.513 160 E N 1.122 121.325 120.200 0.004 0.000 2.167 160 E HA 0.541 4.891 4.350 0.000 0.000 0.284 160 E C 0.628 177.181 176.600 -0.078 0.000 1.016 160 E CA 0.066 56.457 56.400 -0.015 0.000 0.817 160 E CB 0.520 30.235 29.700 0.025 0.000 1.080 160 E HN 0.361 nan 8.360 nan 0.000 0.397 161 T N 0.386 114.859 114.554 -0.135 0.000 2.912 161 T HA 0.583 4.933 4.350 0.000 0.000 0.288 161 T C -0.316 174.137 174.700 -0.411 0.000 1.030 161 T CA -0.867 61.044 62.100 -0.316 0.000 1.020 161 T CB 1.621 70.204 68.868 -0.476 0.000 1.056 161 T HN 0.165 nan 8.240 nan 0.000 0.480 162 V N 2.185 121.736 119.914 -0.605 0.000 2.555 162 V HA 0.617 4.737 4.120 0.000 0.000 0.302 162 V C -1.313 174.311 176.094 -0.782 0.000 1.038 162 V CA -0.835 61.159 62.300 -0.510 0.000 0.887 162 V CB 1.065 32.633 31.823 -0.425 0.000 0.991 162 V HN 0.949 nan 8.190 nan 0.000 0.434 163 Y N 1.453 121.620 120.300 -0.221 0.000 2.581 163 Y HA 0.871 5.421 4.550 0.000 0.000 0.345 163 Y C 0.769 176.523 175.900 -0.244 0.000 1.036 163 Y CA 0.265 58.233 58.100 -0.221 0.000 1.042 163 Y CB 2.320 40.657 38.460 -0.204 0.000 1.289 163 Y HN 0.982 nan 8.280 nan 0.000 0.471 164 G N 0.085 108.842 108.800 -0.072 0.000 2.501 164 G HA2 -0.159 3.801 3.960 0.000 0.000 0.213 164 G HA3 -0.159 3.801 3.960 0.000 0.000 0.213 164 G C -0.241 174.542 174.900 -0.195 0.000 1.158 164 G CA -0.329 44.691 45.100 -0.134 0.000 1.079 164 G HN 1.160 nan 8.290 nan 0.000 0.586 165 L N 0.022 121.117 121.223 -0.213 0.000 4.291 165 L HA 0.038 4.378 4.340 0.000 0.000 0.413 165 L C 1.426 178.197 176.870 -0.165 0.000 1.162 165 L CA 1.539 56.228 54.840 -0.251 0.000 0.961 165 L CB -1.729 40.088 42.059 -0.403 0.000 2.095 165 L HN 2.882 nan 8.230 nan 0.000 0.838 166 G N -0.162 108.552 108.800 -0.144 0.000 2.549 166 G HA2 -0.170 3.790 3.960 0.000 0.000 0.404 166 G HA3 -0.170 3.790 3.960 0.000 0.000 0.404 166 G C -0.499 174.224 174.900 -0.295 0.000 1.292 166 G CA 0.028 45.016 45.100 -0.187 0.000 0.935 166 G HN 0.356 nan 8.290 nan 0.000 0.512 167 E N 0.947 120.924 120.200 -0.370 0.000 2.003 167 E HA 0.434 4.784 4.350 0.000 0.000 0.279 167 E C 0.485 176.687 176.600 -0.664 0.000 1.132 167 E CA -0.210 55.898 56.400 -0.486 0.000 0.888 167 E CB 0.046 29.511 29.700 -0.392 0.000 1.056 167 E HN 0.497 nan 8.360 nan 0.000 0.399 168 R N 3.435 123.518 120.500 -0.695 0.000 2.854 168 R HA 0.369 4.709 4.340 0.000 0.000 0.271 168 R C -0.331 175.537 176.300 -0.719 0.000 0.994 168 R CA -0.740 54.964 56.100 -0.659 0.000 0.945 168 R CB 0.819 30.941 30.300 -0.298 0.000 1.194 168 R HN 0.456 nan 8.270 nan 0.000 0.476 169 F N -0.328 119.609 119.950 -0.021 0.000 2.706 169 F HA 0.084 4.611 4.527 0.000 0.000 0.313 169 F C 1.232 177.029 175.800 -0.004 0.000 1.096 169 F CA -0.407 57.597 58.000 0.006 0.000 1.219 169 F CB 0.470 39.497 39.000 0.046 0.000 1.051 169 F HN 0.489 nan 8.300 nan 0.000 0.568 170 T N -0.814 113.781 114.554 0.069 0.000 2.729 170 T HA 0.593 4.943 4.350 0.000 0.000 0.298 170 T C 0.793 175.492 174.700 -0.002 0.000 1.013 170 T CA -0.535 61.585 62.100 0.033 0.000 0.957 170 T CB 0.662 69.531 68.868 0.001 0.000 1.130 170 T HN 0.189 nan 8.240 nan 0.000 0.526 171 A N 0.358 123.173 122.820 -0.010 0.000 2.587 171 A HA 0.207 4.527 4.320 0.000 0.000 0.233 171 A C 1.379 178.937 177.584 -0.042 0.000 1.049 171 A CA -0.263 51.765 52.037 -0.015 0.000 0.754 171 A CB -0.615 18.379 19.000 -0.009 0.000 0.977 171 A HN 1.010 nan 8.150 nan 0.000 0.509 172 L N 4.006 125.213 121.223 -0.025 0.000 1.989 172 L HA -0.060 4.280 4.340 0.000 0.000 0.211 172 L C 1.040 177.841 176.870 -0.116 0.000 1.071 172 L CA 1.861 56.679 54.840 -0.037 0.000 0.749 172 L CB -0.379 41.696 42.059 0.027 0.000 0.890 172 L HN 0.478 nan 8.230 nan 0.000 0.431 173 V N 0.851 120.666 119.914 -0.165 0.000 2.555 173 V HA 0.044 4.164 4.120 0.000 0.000 0.286 173 V C 1.384 177.308 176.094 -0.284 0.000 1.044 173 V CA 0.040 62.089 62.300 -0.419 0.000 1.026 173 V CB 1.076 32.660 31.823 -0.399 0.000 0.981 173 V HN 0.343 nan 8.190 nan 0.000 0.480 174 R N 2.804 123.083 120.500 -0.369 0.000 2.275 174 R HA 0.093 4.433 4.340 0.000 0.000 0.199 174 R C 0.467 176.648 176.300 -0.198 0.000 0.989 174 R CA 0.099 56.042 56.100 -0.261 0.000 1.016 174 R CB -0.237 29.876 30.300 -0.310 0.000 0.918 174 R HN 0.745 nan 8.270 nan 0.000 0.473 175 N N -0.111 118.471 118.700 -0.197 0.000 2.412 175 N HA 0.162 4.903 4.740 0.000 0.000 0.258 175 N C 0.856 176.315 175.510 -0.085 0.000 1.236 175 N CA 1.431 54.400 53.050 -0.135 0.000 0.882 175 N CB 0.846 39.270 38.487 -0.105 0.000 1.066 175 N HN 0.273 nan 8.380 nan 0.000 0.465 176 G N 0.726 109.481 108.800 -0.075 0.000 2.217 176 G HA2 -0.257 3.703 3.960 0.000 0.000 0.246 176 G HA3 -0.257 3.703 3.960 0.000 0.000 0.246 176 G C -0.315 174.554 174.900 -0.053 0.000 0.990 176 G CA 0.064 45.130 45.100 -0.057 0.000 0.627 176 G HN 0.653 nan 8.290 nan 0.000 0.522 177 Q N 0.497 120.260 119.800 -0.062 0.000 2.257 177 Q HA 0.647 4.988 4.340 0.000 0.000 0.262 177 Q C -0.117 175.865 176.000 -0.029 0.000 0.997 177 Q CA -0.231 55.544 55.803 -0.045 0.000 0.873 177 Q CB 1.817 30.526 28.738 -0.048 0.000 1.312 177 Q HN 0.395 nan 8.270 nan 0.000 0.450 178 T N -0.588 113.960 114.554 -0.011 0.000 2.889 178 T HA 0.459 4.809 4.350 0.000 0.000 0.291 178 T C -0.688 174.035 174.700 0.038 0.000 0.995 178 T CA -0.605 61.506 62.100 0.018 0.000 1.092 178 T CB 1.187 70.059 68.868 0.006 0.000 0.954 178 T HN 0.509 nan 8.240 nan 0.000 0.506 179 V N 4.136 124.106 119.914 0.095 0.000 2.623 179 V HA 0.601 4.721 4.120 0.000 0.000 0.304 179 V C -1.271 174.956 176.094 0.222 0.000 1.054 179 V CA -0.683 61.685 62.300 0.114 0.000 0.882 179 V CB 1.954 33.792 31.823 0.025 0.000 1.002 179 V HN 0.994 nan 8.190 nan 0.000 0.424 180 E N 3.884 124.198 120.200 0.189 0.000 2.134 180 E HA 0.319 4.669 4.350 0.000 0.000 0.278 180 E C -0.050 176.735 176.600 0.308 0.000 0.959 180 E CA -0.322 56.217 56.400 0.231 0.000 0.783 180 E CB 1.720 31.513 29.700 0.156 0.000 1.095 180 E HN 0.888 nan 8.360 nan 0.000 0.399 181 T N 1.043 115.834 114.554 0.395 0.000 3.185 181 T HA 0.263 4.613 4.350 0.000 0.000 0.287 181 T C -0.232 174.779 174.700 0.518 0.000 1.051 181 T CA -0.737 61.603 62.100 0.398 0.000 1.051 181 T CB -0.167 68.955 68.868 0.424 0.000 1.034 181 T HN 0.422 nan 8.240 nan 0.000 0.685 182 W N 4.198 125.624 121.300 0.210 0.000 2.934 182 W HA 0.296 4.956 4.660 0.000 0.000 0.333 182 W C -1.382 175.317 176.519 0.300 0.000 1.035 182 W CA -0.951 56.546 57.345 0.253 0.000 1.256 182 W CB 1.370 30.916 29.460 0.144 0.000 1.306 182 W HN 0.380 nan 8.180 nan 0.000 0.430 183 N N 5.085 123.838 118.700 0.087 0.000 2.454 183 N HA 0.180 4.920 4.740 0.000 0.000 0.260 183 N C -0.295 175.290 175.510 0.124 0.000 1.218 183 N CA 0.607 53.697 53.050 0.068 0.000 0.904 183 N CB 0.726 39.179 38.487 -0.056 0.000 1.065 183 N HN 0.371 nan 8.380 nan 0.000 0.462 184 R N 0.296 120.884 120.500 0.148 0.000 2.774 184 R HA 0.218 4.558 4.340 0.000 0.000 0.272 184 R C -1.238 175.131 176.300 0.115 0.000 1.000 184 R CA -0.798 55.410 56.100 0.181 0.000 0.906 184 R CB 1.576 31.999 30.300 0.205 0.000 1.227 184 R HN 0.376 nan 8.270 nan 0.000 0.468 185 D N 0.917 121.428 120.400 0.184 0.000 2.500 185 D HA 0.218 4.858 4.640 0.000 0.000 0.219 185 D C 0.249 176.585 176.300 0.061 0.000 1.137 185 D CA 0.014 54.115 54.000 0.169 0.000 0.946 185 D CB 0.795 41.783 40.800 0.314 0.000 1.022 185 D HN 0.750 nan 8.370 nan 0.000 0.518 186 G N 1.493 110.192 108.800 -0.168 0.000 3.377 186 G HA2 0.482 4.442 3.960 0.000 0.000 0.257 186 G HA3 0.482 4.442 3.960 0.000 0.000 0.257 186 G C 0.855 175.695 174.900 -0.099 0.000 1.038 186 G CA 0.201 45.255 45.100 -0.077 0.000 0.809 186 G HN 0.812 nan 8.290 nan 0.000 0.526 187 G N 0.241 108.934 108.800 -0.178 0.000 2.645 187 G HA2 -0.068 3.892 3.960 0.000 0.000 0.239 187 G HA3 -0.068 3.892 3.960 0.000 0.000 0.239 187 G C 0.841 175.545 174.900 -0.327 0.000 1.331 187 G CA 0.838 45.895 45.100 -0.072 0.000 0.890 187 G HN 1.164 nan 8.290 nan 0.000 0.572 188 T N -3.821 110.519 114.554 -0.356 0.000 3.085 188 T HA 0.530 4.880 4.350 0.000 0.000 0.264 188 T C 1.387 175.800 174.700 -0.478 0.000 1.019 188 T CA 1.159 62.626 62.100 -1.056 0.000 0.910 188 T CB 0.354 68.694 68.868 -0.880 0.000 1.059 188 T HN 1.080 nan 8.240 nan 0.000 0.542 189 S N 1.556 117.188 115.700 -0.113 0.000 2.578 189 S HA 0.285 4.755 4.470 0.000 0.000 0.231 189 S C 0.788 175.420 174.600 0.054 0.000 0.994 189 S CA -0.184 58.028 58.200 0.019 0.000 0.956 189 S CB 0.464 63.692 63.200 0.046 0.000 0.870 189 S HN 0.857 nan 8.310 nan 0.000 0.494 190 T N -0.470 114.127 114.554 0.072 0.000 2.742 190 T HA 0.378 4.728 4.350 0.000 0.000 0.282 190 T C 0.668 175.442 174.700 0.122 0.000 1.025 190 T CA -0.619 61.531 62.100 0.083 0.000 1.020 190 T CB 1.288 70.195 68.868 0.064 0.000 1.317 190 T HN -0.036 nan 8.240 nan 0.000 0.538 191 E N 0.088 120.342 120.200 0.090 0.000 2.478 191 E HA -0.038 4.312 4.350 0.000 0.000 0.198 191 E C 0.270 176.925 176.600 0.093 0.000 1.046 191 E CA 0.446 56.895 56.400 0.083 0.000 0.870 191 E CB -0.169 29.566 29.700 0.057 0.000 0.818 191 E HN 0.711 nan 8.360 nan 0.000 0.527 192 Q N 0.169 120.029 119.800 0.100 0.000 2.317 192 Q HA 0.572 4.912 4.340 0.000 0.000 0.229 192 Q C -0.708 175.338 176.000 0.076 0.000 0.984 192 Q CA -0.160 55.693 55.803 0.084 0.000 0.911 192 Q CB 1.541 30.315 28.738 0.059 0.000 1.217 192 Q HN 0.267 nan 8.270 nan 0.000 0.501 193 A N 0.689 123.529 122.820 0.033 0.000 2.486 193 A HA 0.407 4.727 4.320 0.000 0.000 0.300 193 A C -1.049 176.520 177.584 -0.025 0.000 1.048 193 A CA -0.649 51.391 52.037 0.006 0.000 0.696 193 A CB 0.465 19.456 19.000 -0.016 0.000 1.278 193 A HN 0.787 nan 8.150 nan 0.000 0.405 194 Y N 1.009 121.373 120.300 0.106 0.000 2.314 194 Y HA 0.008 4.558 4.550 0.000 0.000 0.293 194 Y C 0.782 176.672 175.900 -0.017 0.000 1.129 194 Y CA 1.436 59.547 58.100 0.017 0.000 1.201 194 Y CB 0.073 38.492 38.460 -0.067 0.000 0.999 194 Y HN 0.503 nan 8.280 nan 0.000 0.541 195 K N 1.495 121.961 120.400 0.109 0.000 2.521 195 K HA 0.259 4.579 4.320 0.000 0.000 0.248 195 K C -1.041 175.530 176.600 -0.048 0.000 0.978 195 K CA -0.309 55.963 56.287 -0.024 0.000 0.947 195 K CB 0.867 33.240 32.500 -0.213 0.000 1.165 195 K HN 0.081 nan 8.250 nan 0.000 0.445 196 N N 3.599 122.325 118.700 0.043 0.000 2.443 196 N HA 0.468 5.208 4.740 0.000 0.000 0.295 196 N C -0.744 174.831 175.510 0.109 0.000 1.076 196 N CA -0.514 52.582 53.050 0.076 0.000 0.919 196 N CB 1.707 40.295 38.487 0.168 0.000 1.176 196 N HN 0.315 nan 8.380 nan 0.000 0.487 197 I N 2.589 123.214 120.570 0.091 0.000 2.571 197 I HA 0.204 4.374 4.170 0.000 0.000 0.286 197 I C -2.312 173.883 176.117 0.131 0.000 1.134 197 I CA -1.731 59.645 61.300 0.128 0.000 1.052 197 I CB 2.215 40.287 38.000 0.120 0.000 1.237 197 I HN 0.221 nan 8.210 nan 0.000 0.435 198 P HA 0.112 nan 4.420 nan 0.000 0.237 198 P C -0.534 176.929 177.300 0.272 0.000 1.723 198 P CA 0.176 63.480 63.100 0.341 0.000 0.882 198 P CB -0.587 31.481 31.700 0.612 0.000 1.810 199 F N 2.790 122.697 119.950 -0.072 0.000 2.507 199 F HA 0.529 5.056 4.527 0.000 0.000 0.325 199 F C -1.057 174.613 175.800 -0.216 0.000 1.116 199 F CA -1.421 56.472 58.000 -0.179 0.000 0.930 199 F CB 1.363 40.138 39.000 -0.376 0.000 1.146 199 F HN -0.039 nan 8.300 nan 0.000 0.447 200 Y N 5.271 124.919 120.300 -1.086 0.000 2.570 200 Y HA 0.833 5.383 4.550 0.000 0.000 0.345 200 Y C -1.266 173.920 175.900 -1.189 0.000 1.014 200 Y CA -1.829 55.674 58.100 -0.996 0.000 1.063 200 Y CB 1.553 39.661 38.460 -0.587 0.000 1.272 200 Y HN 0.755 nan 8.280 nan 0.000 0.477 201 M N 1.326 120.581 119.600 -0.575 0.000 2.631 201 M HA 0.843 5.323 4.480 0.000 0.000 0.288 201 M C -1.105 175.107 176.300 -0.146 0.000 1.260 201 M CA -0.744 54.289 55.300 -0.445 0.000 0.842 201 M CB 2.514 34.900 32.600 -0.357 0.000 1.743 201 M HN 0.864 nan 8.290 nan 0.000 0.461 202 T N -2.504 111.868 114.554 -0.304 0.000 2.888 202 T HA 0.431 4.781 4.350 0.000 0.000 0.288 202 T C 0.318 174.948 174.700 -0.117 0.000 1.063 202 T CA -0.653 61.340 62.100 -0.179 0.000 1.010 202 T CB 1.158 69.801 68.868 -0.374 0.000 1.214 202 T HN 0.842 nan 8.240 nan 0.000 0.533 203 N N -0.137 118.566 118.700 0.005 0.000 2.434 203 N HA -0.005 4.735 4.740 0.000 0.000 0.196 203 N C 0.931 176.420 175.510 -0.036 0.000 1.183 203 N CA -0.128 52.918 53.050 -0.006 0.000 0.849 203 N CB -0.265 38.254 38.487 0.053 0.000 0.992 203 N HN 0.598 nan 8.380 nan 0.000 0.460 204 R N 0.006 120.459 120.500 -0.078 0.000 2.393 204 R HA 0.139 4.479 4.340 0.000 0.000 0.244 204 R C 0.158 176.478 176.300 0.034 0.000 0.920 204 R CA 0.455 56.562 56.100 0.013 0.000 1.076 204 R CB -0.099 30.271 30.300 0.117 0.000 1.119 204 R HN 0.360 nan 8.270 nan 0.000 0.524 205 G N 1.480 110.240 108.800 -0.065 0.000 2.256 205 G HA2 -0.298 3.662 3.960 0.000 0.000 0.272 205 G HA3 -0.298 3.662 3.960 0.000 0.000 0.272 205 G C -0.543 174.400 174.900 0.071 0.000 1.076 205 G CA 0.787 45.877 45.100 -0.016 0.000 0.882 205 G HN 0.495 nan 8.290 nan 0.000 0.497 206 Y N -2.489 117.806 120.300 -0.010 0.000 2.625 206 Y HA 0.832 5.382 4.550 0.000 0.000 0.338 206 Y C 0.303 176.153 175.900 -0.083 0.000 1.123 206 Y CA -1.392 56.691 58.100 -0.028 0.000 1.046 206 Y CB 0.839 39.279 38.460 -0.033 0.000 1.299 206 Y HN 0.708 nan 8.280 nan 0.000 0.464 207 G N 0.004 108.864 108.800 0.100 0.000 2.658 207 G HA2 0.627 4.587 3.960 0.000 0.000 0.292 207 G HA3 0.627 4.587 3.960 0.000 0.000 0.292 207 G C -1.979 172.859 174.900 -0.104 0.000 1.320 207 G CA -0.858 44.139 45.100 -0.173 0.000 0.933 207 G HN 1.450 nan 8.290 nan 0.000 0.476 208 V N 0.337 119.936 119.914 -0.526 0.000 2.733 208 V HA 0.762 4.882 4.120 0.000 0.000 0.306 208 V C -1.748 174.280 176.094 -0.109 0.000 1.084 208 V CA -0.918 61.206 62.300 -0.292 0.000 0.905 208 V CB 1.572 33.184 31.823 -0.352 0.000 1.010 208 V HN 0.897 nan 8.190 nan 0.000 0.424 209 L N 7.329 128.744 121.223 0.320 0.000 2.287 209 L HA 0.744 5.084 4.340 0.000 0.000 0.287 209 L C -0.662 176.460 176.870 0.421 0.000 1.022 209 L CA -0.037 55.086 54.840 0.472 0.000 0.814 209 L CB 1.766 44.212 42.059 0.646 0.000 1.217 209 L HN 0.598 nan 8.230 nan 0.000 0.420 210 V N 4.900 125.013 119.914 0.332 0.000 2.406 210 V HA 0.264 4.384 4.120 0.000 0.000 0.272 210 V C 0.480 176.843 176.094 0.448 0.000 1.043 210 V CA -0.528 61.950 62.300 0.297 0.000 0.915 210 V CB 0.996 32.871 31.823 0.086 0.000 0.988 210 V HN 0.797 nan 8.190 nan 0.000 0.466 211 N N 4.193 123.095 118.700 0.337 0.000 3.259 211 N HA 0.069 4.809 4.740 0.000 0.000 0.308 211 N C -0.398 175.001 175.510 -0.184 0.000 1.334 211 N CA 0.039 53.252 53.050 0.272 0.000 1.202 211 N CB -0.408 38.293 38.487 0.358 0.000 1.485 211 N HN 0.706 nan 8.380 nan 0.000 0.549 212 H N -0.045 119.179 119.070 0.258 0.000 3.013 212 H HA 0.240 4.796 4.556 0.000 0.000 0.326 212 H C -2.000 173.299 175.328 -0.049 0.000 0.973 212 H CA -1.372 54.707 56.048 0.051 0.000 1.369 212 H CB 2.156 31.978 29.762 0.100 0.000 1.598 212 H HN 0.215 nan 8.280 nan 0.000 0.518 213 P HA -0.059 nan 4.420 nan 0.000 0.231 213 P C 0.211 177.615 177.300 0.173 0.000 1.168 213 P CA 0.536 63.509 63.100 -0.212 0.000 0.779 213 P CB 0.589 31.988 31.700 -0.502 0.000 0.844 214 Q N -0.579 119.347 119.800 0.209 0.000 2.631 214 Q HA 0.092 4.432 4.340 0.000 0.000 0.210 214 Q C 0.310 176.555 176.000 0.407 0.000 1.094 214 Q CA -0.340 55.661 55.803 0.330 0.000 1.055 214 Q CB -0.869 27.999 28.738 0.217 0.000 1.261 214 Q HN -0.017 nan 8.270 nan 0.000 0.615 215 C N 1.016 120.573 119.300 0.429 0.000 2.592 215 C HA 0.247 4.707 4.460 0.000 0.000 0.408 215 C C -0.212 174.904 174.990 0.211 0.000 1.436 215 C CA -0.381 58.840 59.018 0.340 0.000 1.595 215 C CB -1.295 26.426 27.740 -0.031 0.000 2.487 215 C HN 0.461 nan 8.230 nan 0.000 0.610 216 V N 6.975 127.049 119.914 0.266 0.000 2.483 216 V HA 0.403 4.523 4.120 0.000 0.000 0.295 216 V C 0.335 176.486 176.094 0.095 0.000 1.035 216 V CA -0.134 62.244 62.300 0.129 0.000 0.896 216 V CB 1.853 33.761 31.823 0.141 0.000 0.986 216 V HN 0.900 nan 8.190 nan 0.000 0.447 217 S N 4.581 120.250 115.700 -0.052 0.000 2.420 217 S HA 0.619 5.089 4.470 0.000 0.000 0.313 217 S C -0.819 173.722 174.600 -0.097 0.000 1.079 217 S CA -0.431 57.758 58.200 -0.018 0.000 1.104 217 S CB -0.238 62.913 63.200 -0.080 0.000 0.969 217 S HN 0.391 nan 8.310 nan 0.000 0.471 218 F N 3.202 123.194 119.950 0.070 0.000 2.408 218 F HA 0.402 4.929 4.527 0.000 0.000 0.344 218 F C 0.900 176.697 175.800 -0.005 0.000 1.112 218 F CA -0.582 57.455 58.000 0.062 0.000 1.096 218 F CB 1.153 40.170 39.000 0.029 0.000 1.129 218 F HN 0.396 nan 8.300 nan 0.000 0.486 219 E N 3.647 123.921 120.200 0.124 0.000 2.101 219 E HA 0.245 4.595 4.350 0.000 0.000 0.260 219 E C -0.957 175.660 176.600 0.027 0.000 0.897 219 E CA -0.402 56.021 56.400 0.038 0.000 0.744 219 E CB 1.889 31.571 29.700 -0.029 0.000 1.140 219 E HN 0.254 nan 8.360 nan 0.000 0.419 220 V N 1.798 121.709 119.914 -0.004 0.000 2.267 220 V HA 0.243 4.363 4.120 0.000 0.000 0.254 220 V C 1.347 177.389 176.094 -0.086 0.000 1.144 220 V CA 0.136 62.388 62.300 -0.080 0.000 0.992 220 V CB 0.135 31.864 31.823 -0.156 0.000 1.199 220 V HN 0.938 nan 8.190 nan 0.000 0.493 221 G N 4.460 113.218 108.800 -0.071 0.000 2.203 221 G HA2 -0.301 3.659 3.960 0.000 0.000 0.263 221 G HA3 -0.301 3.659 3.960 0.000 0.000 0.263 221 G C 0.777 175.643 174.900 -0.058 0.000 1.012 221 G CA 0.761 45.823 45.100 -0.064 0.000 0.749 221 G HN 1.031 nan 8.290 nan 0.000 0.512 222 S N -1.942 113.726 115.700 -0.054 0.000 2.526 222 S HA 0.386 4.856 4.470 0.000 0.000 0.220 222 S C 1.316 175.881 174.600 -0.058 0.000 1.017 222 S CA 0.834 59.003 58.200 -0.051 0.000 0.930 222 S CB 0.669 63.843 63.200 -0.043 0.000 0.856 222 S HN 0.723 nan 8.310 nan 0.000 0.497 223 E N 1.209 121.370 120.200 -0.066 0.000 2.476 223 E HA 0.209 4.559 4.350 0.000 0.000 0.193 223 E C -0.531 176.018 176.600 -0.084 0.000 0.966 223 E CA -0.086 56.265 56.400 -0.082 0.000 1.114 223 E CB 0.483 30.123 29.700 -0.100 0.000 1.151 223 E HN 0.013 nan 8.360 nan 0.000 0.487 224 K N 2.364 122.717 120.400 -0.078 0.000 2.263 224 K HA 0.160 4.480 4.320 0.000 0.000 0.272 224 K C 0.980 177.544 176.600 -0.060 0.000 1.033 224 K CA -0.007 56.235 56.287 -0.075 0.000 0.884 224 K CB 1.818 34.276 32.500 -0.070 0.000 1.107 224 K HN 0.248 nan 8.250 nan 0.000 0.460 225 V N 0.209 120.086 119.914 -0.061 0.000 2.759 225 V HA -0.142 3.978 4.120 0.000 0.000 0.256 225 V C 1.150 177.218 176.094 -0.043 0.000 1.080 225 V CA 1.825 64.094 62.300 -0.052 0.000 1.101 225 V CB -0.565 31.229 31.823 -0.049 0.000 0.698 225 V HN 0.643 nan 8.190 nan 0.000 0.477 226 S N -1.398 114.279 115.700 -0.038 0.000 2.588 226 S HA 0.517 4.987 4.470 0.000 0.000 0.245 226 S C -0.002 174.593 174.600 -0.008 0.000 1.021 226 S CA -0.653 57.534 58.200 -0.022 0.000 1.006 226 S CB -0.118 63.072 63.200 -0.017 0.000 0.830 226 S HN 0.654 nan 8.310 nan 0.000 0.468 227 K N 0.306 120.696 120.400 -0.016 0.000 2.512 227 K HA 0.622 4.942 4.320 0.000 0.000 0.263 227 K C -1.509 175.085 176.600 -0.011 0.000 0.966 227 K CA -0.665 55.623 56.287 0.003 0.000 0.851 227 K CB 2.401 34.900 32.500 -0.002 0.000 1.395 227 K HN 0.032 nan 8.250 nan 0.000 0.440 228 V N 2.480 122.405 119.914 0.018 0.000 2.318 228 V HA 0.246 4.366 4.120 0.000 0.000 0.271 228 V C -0.314 175.835 176.094 0.093 0.000 1.030 228 V CA -0.567 61.744 62.300 0.018 0.000 0.844 228 V CB 0.916 32.674 31.823 -0.108 0.000 1.015 228 V HN 0.621 nan 8.190 nan 0.000 0.460 229 Q N 5.244 125.069 119.800 0.041 0.000 2.279 229 Q HA 0.566 4.906 4.340 0.000 0.000 0.256 229 Q C -1.283 174.719 176.000 0.004 0.000 0.937 229 Q CA -0.479 55.297 55.803 -0.044 0.000 0.933 229 Q CB 1.004 29.710 28.738 -0.054 0.000 1.189 229 Q HN 0.731 nan 8.270 nan 0.000 0.417 230 F N 0.909 120.777 119.950 -0.137 0.000 2.556 230 F HA 0.740 5.268 4.527 0.000 0.000 0.314 230 F C -0.853 174.828 175.800 -0.198 0.000 1.106 230 F CA -0.931 56.843 58.000 -0.377 0.000 0.911 230 F CB 1.603 40.153 39.000 -0.750 0.000 1.190 230 F HN 0.414 nan 8.300 nan 0.000 0.448 231 S N 2.210 117.868 115.700 -0.070 0.000 2.569 231 S HA 0.889 5.359 4.470 0.000 0.000 0.280 231 S C -1.728 172.858 174.600 -0.024 0.000 1.111 231 S CA -0.831 57.354 58.200 -0.025 0.000 0.887 231 S CB 1.845 64.990 63.200 -0.091 0.000 1.095 231 S HN 1.318 nan 8.310 nan 0.000 0.476 232 V N 0.580 120.509 119.914 0.025 0.000 3.012 232 V HA 0.529 4.649 4.120 0.000 0.000 0.307 232 V C -1.074 175.071 176.094 0.085 0.000 1.166 232 V CA -0.728 61.562 62.300 -0.017 0.000 0.974 232 V CB 1.988 33.618 31.823 -0.322 0.000 1.040 232 V HN 1.125 nan 8.190 nan 0.000 0.428 233 E N 3.350 123.581 120.200 0.051 0.000 1.944 233 E HA 0.509 4.859 4.350 0.000 0.000 0.272 233 E C -0.597 175.903 176.600 -0.166 0.000 1.195 233 E CA 0.269 56.562 56.400 -0.179 0.000 0.926 233 E CB 0.397 29.944 29.700 -0.255 0.000 1.051 233 E HN 0.729 nan 8.360 nan 0.000 0.404 234 S N 3.068 118.678 115.700 -0.150 0.000 2.578 234 S HA 0.118 4.588 4.470 0.000 0.000 0.272 234 S C -0.167 174.453 174.600 0.034 0.000 1.145 234 S CA -0.701 57.429 58.200 -0.118 0.000 0.835 234 S CB 1.356 64.334 63.200 -0.370 0.000 1.104 234 S HN 0.497 nan 8.310 nan 0.000 0.458 235 E N 0.908 121.198 120.200 0.149 0.000 2.479 235 E HA 0.181 4.532 4.350 0.000 0.000 0.193 235 E C -0.412 176.383 176.600 0.325 0.000 1.049 235 E CA 0.458 57.024 56.400 0.277 0.000 0.870 235 E CB 0.168 30.037 29.700 0.281 0.000 0.944 235 E HN 0.613 nan 8.360 nan 0.000 0.492 236 Y N -1.776 118.640 120.300 0.193 0.000 2.581 236 Y HA 0.638 5.188 4.550 0.000 0.000 0.345 236 Y C -1.217 174.831 175.900 0.247 0.000 1.036 236 Y CA -1.773 56.448 58.100 0.202 0.000 1.042 236 Y CB 0.960 39.518 38.460 0.163 0.000 1.289 236 Y HN -0.215 nan 8.280 nan 0.000 0.471 237 L N 2.312 123.707 121.223 0.286 0.000 2.362 237 L HA 0.604 4.944 4.340 0.000 0.000 0.275 237 L C -1.208 175.955 176.870 0.488 0.000 0.998 237 L CA -0.616 54.434 54.840 0.351 0.000 0.820 237 L CB 1.966 44.188 42.059 0.272 0.000 1.270 237 L HN 0.908 nan 8.230 nan 0.000 0.415 238 E N 3.902 124.444 120.200 0.570 0.000 2.218 238 E HA 0.504 4.854 4.350 0.000 0.000 0.263 238 E C -1.961 174.735 176.600 0.161 0.000 0.879 238 E CA -0.612 55.904 56.400 0.194 0.000 0.762 238 E CB 1.325 31.108 29.700 0.138 0.000 1.166 238 E HN 0.570 nan 8.360 nan 0.000 0.415 239 Y N 1.529 121.767 120.300 -0.102 0.000 2.581 239 Y HA 0.701 5.251 4.550 0.000 0.000 0.345 239 Y C -1.650 174.010 175.900 -0.400 0.000 1.036 239 Y CA -1.501 56.545 58.100 -0.089 0.000 1.042 239 Y CB 1.015 39.549 38.460 0.124 0.000 1.289 239 Y HN 0.227 nan 8.280 nan 0.000 0.471 240 F N 1.418 121.485 119.950 0.194 0.000 2.493 240 F HA 0.621 5.148 4.527 0.000 0.000 0.329 240 F C -0.662 175.174 175.800 0.060 0.000 1.126 240 F CA -1.259 56.760 58.000 0.031 0.000 0.937 240 F CB 2.081 41.127 39.000 0.077 0.000 1.146 240 F HN 0.334 nan 8.300 nan 0.000 0.442 241 V N 5.136 125.101 119.914 0.084 0.000 2.407 241 V HA 0.392 4.512 4.120 0.000 0.000 0.278 241 V C 0.037 176.144 176.094 0.021 0.000 1.037 241 V CA -0.563 61.702 62.300 -0.058 0.000 0.900 241 V CB 1.389 32.926 31.823 -0.477 0.000 0.983 241 V HN 0.548 nan 8.190 nan 0.000 0.459 242 I N 3.718 124.337 120.570 0.082 0.000 2.382 242 I HA 0.350 4.520 4.170 0.000 0.000 0.286 242 I C -0.205 175.975 176.117 0.105 0.000 1.002 242 I CA -0.489 60.865 61.300 0.090 0.000 1.135 242 I CB 1.763 39.873 38.000 0.184 0.000 1.288 242 I HN 0.527 nan 8.210 nan 0.000 0.448 243 D N 4.091 124.529 120.400 0.063 0.000 2.357 243 D HA 0.338 4.978 4.640 0.000 0.000 0.242 243 D C 0.632 176.973 176.300 0.069 0.000 1.153 243 D CA 0.274 54.319 54.000 0.075 0.000 0.918 243 D CB 1.614 42.438 40.800 0.040 0.000 1.181 243 D HN 0.601 nan 8.370 nan 0.000 0.435 244 G N 0.591 109.434 108.800 0.071 0.000 2.766 244 G HA2 0.131 4.091 3.960 0.000 0.000 0.206 244 G HA3 0.131 4.091 3.960 0.000 0.000 0.206 244 G C -1.566 173.346 174.900 0.020 0.000 2.072 244 G CA -0.136 44.988 45.100 0.039 0.000 0.798 244 G HN 0.591 nan 8.290 nan 0.000 0.703 245 P HA 0.166 nan 4.420 nan 0.000 0.257 245 P C 0.210 177.518 177.300 0.013 0.000 1.281 245 P CA 0.610 63.728 63.100 0.031 0.000 0.826 245 P CB 0.123 31.839 31.700 0.028 0.000 1.237 246 T N -4.468 110.082 114.554 -0.005 0.000 2.950 246 T HA 0.447 4.798 4.350 0.000 0.000 0.288 246 T C -2.136 172.541 174.700 -0.038 0.000 1.035 246 T CA -2.296 59.788 62.100 -0.027 0.000 1.028 246 T CB 1.800 70.645 68.868 -0.038 0.000 1.109 246 T HN -0.359 nan 8.240 nan 0.000 0.514 247 P HA -0.074 nan 4.420 nan 0.000 0.216 247 P C 1.284 178.548 177.300 -0.060 0.000 1.153 247 P CA 1.300 64.351 63.100 -0.081 0.000 0.858 247 P CB 0.080 31.698 31.700 -0.137 0.000 0.789 248 K N -0.736 119.622 120.400 -0.069 0.000 2.097 248 K HA -0.030 4.290 4.320 0.000 0.000 0.205 248 K C 2.156 178.728 176.600 -0.046 0.000 1.050 248 K CA 1.372 57.619 56.287 -0.066 0.000 0.938 248 K CB -0.594 31.858 32.500 -0.079 0.000 0.718 248 K HN 0.031 nan 8.250 nan 0.000 0.442 249 A N 0.922 123.721 122.820 -0.035 0.000 1.969 249 A HA -0.096 4.224 4.320 0.000 0.000 0.218 249 A C 2.306 179.890 177.584 0.000 0.000 1.169 249 A CA 1.150 53.175 52.037 -0.021 0.000 0.635 249 A CB -0.529 18.461 19.000 -0.016 0.000 0.810 249 A HN 0.056 nan 8.150 nan 0.000 0.445 250 V N 0.105 120.029 119.914 0.017 0.000 2.295 250 V HA -0.267 3.853 4.120 0.000 0.000 0.246 250 V C 2.520 178.656 176.094 0.069 0.000 1.049 250 V CA 2.066 64.406 62.300 0.066 0.000 1.024 250 V CB -0.726 31.154 31.823 0.095 0.000 0.648 250 V HN 0.584 nan 8.190 nan 0.000 0.447 251 L N -0.165 121.073 121.223 0.025 0.000 2.217 251 L HA -0.119 4.221 4.340 0.000 0.000 0.211 251 L C 2.387 179.245 176.870 -0.019 0.000 1.107 251 L CA 1.366 56.203 54.840 -0.006 0.000 0.783 251 L CB -0.622 41.411 42.059 -0.043 0.000 0.919 251 L HN 0.378 nan 8.230 nan 0.000 0.442 252 D N 0.716 121.097 120.400 -0.031 0.000 2.092 252 D HA -0.202 4.438 4.640 0.000 0.000 0.193 252 D C 2.311 178.583 176.300 -0.046 0.000 0.994 252 D CA 1.546 55.517 54.000 -0.049 0.000 0.828 252 D CB 0.097 40.869 40.800 -0.046 0.000 0.963 252 D HN 0.102 nan 8.370 nan 0.000 0.450 253 R N -1.211 119.276 120.500 -0.022 0.000 2.081 253 R HA -0.164 4.176 4.340 0.000 0.000 0.235 253 R C 2.451 178.741 176.300 -0.016 0.000 1.131 253 R CA 1.228 57.310 56.100 -0.029 0.000 0.960 253 R CB -0.542 29.746 30.300 -0.021 0.000 0.856 253 R HN 0.364 nan 8.270 nan 0.000 0.436 254 Y N 1.612 121.829 120.300 -0.138 0.000 2.200 254 Y HA -0.221 4.329 4.550 0.000 0.000 0.290 254 Y C 2.473 178.231 175.900 -0.237 0.000 1.137 254 Y CA 1.982 59.951 58.100 -0.219 0.000 1.163 254 Y CB -0.292 37.827 38.460 -0.570 0.000 0.988 254 Y HN 0.085 nan 8.280 nan 0.000 0.518 255 T N -1.749 112.652 114.554 -0.254 0.000 2.985 255 T HA -0.093 4.257 4.350 0.000 0.000 0.266 255 T C 2.011 176.538 174.700 -0.288 0.000 1.076 255 T CA 0.962 62.847 62.100 -0.359 0.000 1.135 255 T CB -0.464 68.264 68.868 -0.233 0.000 0.890 255 T HN 0.392 nan 8.240 nan 0.000 0.480 256 R N -0.463 119.931 120.500 -0.177 0.000 2.105 256 R HA -0.093 4.247 4.340 0.000 0.000 0.239 256 R C 2.118 178.354 176.300 -0.106 0.000 1.135 256 R CA 1.446 57.472 56.100 -0.124 0.000 0.967 256 R CB -0.483 29.770 30.300 -0.079 0.000 0.861 256 R HN 0.426 nan 8.270 nan 0.000 0.442 257 F N 0.729 120.465 119.950 -0.357 0.000 2.163 257 F HA -0.064 4.463 4.527 0.000 0.000 0.297 257 F C 2.108 177.634 175.800 -0.457 0.000 1.094 257 F CA 1.916 59.680 58.000 -0.395 0.000 1.290 257 F CB -0.403 38.330 39.000 -0.444 0.000 1.017 257 F HN 0.139 nan 8.300 nan 0.000 0.483 258 T N -2.704 111.434 114.554 -0.692 0.000 2.975 258 T HA 0.548 4.898 4.350 0.000 0.000 0.257 258 T C 0.706 175.056 174.700 -0.584 0.000 1.003 258 T CA 0.309 61.920 62.100 -0.816 0.000 0.932 258 T CB 0.176 68.377 68.868 -1.112 0.000 1.087 258 T HN 0.568 nan 8.240 nan 0.000 0.512 259 G N 1.167 109.670 108.800 -0.496 0.000 2.351 259 G HA2 0.289 4.249 3.960 0.000 0.000 0.472 259 G HA3 0.289 4.249 3.960 0.000 0.000 0.472 259 G C -1.580 173.083 174.900 -0.394 0.000 1.570 259 G CA -1.261 43.593 45.100 -0.411 0.000 0.921 259 G HN 0.293 nan 8.290 nan 0.000 0.674 260 R N 1.461 121.775 120.500 -0.310 0.000 2.297 260 R HA 0.476 4.816 4.340 0.000 0.000 0.308 260 R C -2.427 173.714 176.300 -0.265 0.000 1.029 260 R CA -1.917 54.035 56.100 -0.246 0.000 0.929 260 R CB 1.071 31.274 30.300 -0.161 0.000 1.046 260 R HN 0.314 nan 8.270 nan 0.000 0.461 261 P HA -0.045 nan 4.420 nan 0.000 0.264 261 P C -0.448 176.826 177.300 -0.043 0.000 1.183 261 P CA 0.287 63.317 63.100 -0.117 0.000 0.763 261 P CB 0.489 32.225 31.700 0.059 0.000 0.807 262 A N 3.592 126.357 122.820 -0.092 0.000 2.406 262 A HA 0.265 4.585 4.320 0.000 0.000 0.243 262 A C -0.176 177.443 177.584 0.059 0.000 1.082 262 A CA -0.239 51.808 52.037 0.018 0.000 0.786 262 A CB -0.211 18.862 19.000 0.121 0.000 1.029 262 A HN 0.574 nan 8.150 nan 0.000 0.495 263 L N 3.081 124.341 121.223 0.063 0.000 2.283 263 L HA 0.446 4.786 4.340 0.000 0.000 0.287 263 L C -2.169 174.686 176.870 -0.025 0.000 1.073 263 L CA -1.733 53.104 54.840 -0.005 0.000 0.822 263 L CB 0.353 42.424 42.059 0.019 0.000 1.186 263 L HN 0.378 nan 8.230 nan 0.000 0.436 264 P HA 0.254 nan 4.420 nan 0.000 0.272 264 P C -2.687 174.709 177.300 0.160 0.000 1.230 264 P CA -1.225 61.821 63.100 -0.091 0.000 0.788 264 P CB -0.328 31.166 31.700 -0.344 0.000 0.949 265 P HA -0.000 nan 4.420 nan 0.000 0.269 265 P C 0.376 177.728 177.300 0.087 0.000 1.209 265 P CA 0.096 63.159 63.100 -0.062 0.000 0.776 265 P CB 0.497 31.936 31.700 -0.435 0.000 0.876 266 A N 4.393 127.286 122.820 0.120 0.000 1.948 266 A HA -0.179 4.141 4.320 0.000 0.000 0.220 266 A C 2.048 179.802 177.584 0.282 0.000 1.177 266 A CA 1.701 53.810 52.037 0.121 0.000 0.636 266 A CB -1.711 17.202 19.000 -0.145 0.000 0.815 266 A HN 0.834 nan 8.150 nan 0.000 0.449 267 W N 0.684 122.110 121.300 0.210 0.000 2.363 267 W HA -0.169 4.491 4.660 0.000 0.000 0.296 267 W C 1.939 178.577 176.519 0.197 0.000 1.212 267 W CA 1.380 58.807 57.345 0.137 0.000 1.260 267 W CB -1.487 28.001 29.460 0.047 0.000 1.131 267 W HN 0.532 nan 8.180 nan 0.000 0.530 268 S N 0.659 116.260 115.700 -0.164 0.000 2.469 268 S HA -0.201 4.269 4.470 0.000 0.000 0.238 268 S C 1.373 176.138 174.600 0.275 0.000 0.998 268 S CA 0.858 59.086 58.200 0.046 0.000 0.957 268 S CB -1.440 61.595 63.200 -0.275 0.000 0.764 268 S HN 0.232 nan 8.310 nan 0.000 0.514 269 F N 2.345 122.359 119.950 0.107 0.000 2.811 269 F HA 0.354 4.881 4.527 0.000 0.000 0.301 269 F C 1.912 177.759 175.800 0.078 0.000 1.151 269 F CA -0.163 57.813 58.000 -0.040 0.000 1.412 269 F CB -0.483 38.492 39.000 -0.042 0.000 1.113 269 F HN 0.328 nan 8.300 nan 0.000 0.579 270 G N 0.122 109.089 108.800 0.277 0.000 2.508 270 G HA2 0.318 4.278 3.960 0.000 0.000 0.278 270 G HA3 0.318 4.278 3.960 0.000 0.000 0.278 270 G C -1.049 174.125 174.900 0.455 0.000 1.389 270 G CA -0.583 44.616 45.100 0.164 0.000 1.050 270 G HN -0.002 nan 8.290 nan 0.000 0.522 271 L N -0.279 121.315 121.223 0.619 0.000 2.319 271 L HA 0.502 4.842 4.340 0.000 0.000 0.280 271 L C -1.101 176.019 176.870 0.416 0.000 1.099 271 L CA -0.919 54.201 54.840 0.467 0.000 0.828 271 L CB 0.383 42.642 42.059 0.333 0.000 1.150 271 L HN 0.408 nan 8.230 nan 0.000 0.442 272 W N 6.229 127.575 121.300 0.077 0.000 2.417 272 W HA 0.570 5.230 4.660 0.000 0.000 0.317 272 W C -0.611 175.860 176.519 -0.081 0.000 1.121 272 W CA -0.548 56.781 57.345 -0.027 0.000 1.208 272 W CB 1.066 30.428 29.460 -0.162 0.000 1.253 272 W HN 0.324 nan 8.180 nan 0.000 0.533 273 L N 2.471 123.747 121.223 0.089 0.000 2.354 273 L HA 0.799 5.139 4.340 0.000 0.000 0.269 273 L C -0.236 176.433 176.870 -0.335 0.000 1.005 273 L CA -0.185 54.654 54.840 -0.000 0.000 0.819 273 L CB 2.242 44.394 42.059 0.153 0.000 1.311 273 L HN 0.326 nan 8.230 nan 0.000 0.423 274 T N 0.466 114.873 114.554 -0.245 0.000 2.916 274 T HA 0.357 4.707 4.350 0.000 0.000 0.292 274 T C 0.774 175.397 174.700 -0.128 0.000 1.064 274 T CA 0.275 62.188 62.100 -0.312 0.000 1.011 274 T CB 1.644 70.569 68.868 0.096 0.000 1.152 274 T HN 0.790 nan 8.240 nan 0.000 0.510 275 T N -0.253 114.164 114.554 -0.228 0.000 3.118 275 T HA 0.201 4.551 4.350 0.000 0.000 0.260 275 T C 0.876 175.609 174.700 0.055 0.000 1.139 275 T CA 0.250 62.268 62.100 -0.137 0.000 1.085 275 T CB -0.256 68.050 68.868 -0.937 0.000 0.934 275 T HN 0.638 nan 8.240 nan 0.000 0.518 276 S N -0.060 115.728 115.700 0.146 0.000 3.654 276 S HA -0.166 4.304 4.470 0.000 0.000 0.640 276 S C 0.015 174.787 174.600 0.287 0.000 2.223 276 S CA 0.268 58.545 58.200 0.129 0.000 2.391 276 S CB -1.314 61.905 63.200 0.031 0.000 0.328 276 S HN 0.519 nan 8.310 nan 0.000 1.790 277 F N 1.684 121.713 119.950 0.133 0.000 2.287 277 F HA 0.231 4.758 4.527 0.000 0.000 0.276 277 F C 2.396 178.467 175.800 0.451 0.000 1.047 277 F CA 1.938 60.145 58.000 0.346 0.000 1.194 277 F CB -0.972 38.242 39.000 0.357 0.000 1.118 277 F HN 0.715 nan 8.300 nan 0.000 0.556 278 T N -0.925 113.490 114.554 -0.232 0.000 3.134 278 T HA 0.218 4.568 4.350 0.000 0.000 0.260 278 T C 0.611 175.129 174.700 -0.303 0.000 1.027 278 T CA 0.263 62.124 62.100 -0.399 0.000 0.913 278 T CB -1.620 66.928 68.868 -0.532 0.000 1.046 278 T HN 0.354 nan 8.240 nan 0.000 0.553 279 T N 1.481 115.960 114.554 -0.125 0.000 2.724 279 T HA 0.151 4.501 4.350 0.000 0.000 0.324 279 T C 0.161 174.809 174.700 -0.087 0.000 1.071 279 T CA -0.577 61.432 62.100 -0.153 0.000 1.061 279 T CB -0.091 68.652 68.868 -0.208 0.000 0.990 279 T HN 0.419 nan 8.240 nan 0.000 0.543 280 N N 1.034 119.705 118.700 -0.050 0.000 2.525 280 N HA 0.519 5.259 4.740 0.000 0.000 0.271 280 N C -1.031 174.611 175.510 0.220 0.000 1.194 280 N CA -0.513 52.493 53.050 -0.072 0.000 0.964 280 N CB 0.353 38.801 38.487 -0.064 0.000 1.126 280 N HN 0.838 nan 8.380 nan 0.000 0.452 281 Y N -1.938 118.376 120.300 0.023 0.000 2.521 281 Y HA 0.462 5.012 4.550 0.000 0.000 0.326 281 Y C -1.841 174.032 175.900 -0.045 0.000 1.176 281 Y CA -1.428 56.709 58.100 0.061 0.000 1.079 281 Y CB 0.800 39.395 38.460 0.224 0.000 1.341 281 Y HN 0.567 nan 8.280 nan 0.000 0.456 282 D N -0.235 120.149 120.400 -0.027 0.000 2.895 282 D HA 0.210 4.850 4.640 0.000 0.000 0.320 282 D C 0.501 176.676 176.300 -0.209 0.000 1.249 282 D CA -0.634 53.047 54.000 -0.532 0.000 0.997 282 D CB 0.764 41.329 40.800 -0.391 0.000 1.430 282 D HN 0.658 nan 8.370 nan 0.000 0.558 283 E N -0.574 119.484 120.200 -0.237 0.000 2.153 283 E HA -0.198 4.152 4.350 0.000 0.000 0.194 283 E C 1.804 178.443 176.600 0.065 0.000 0.988 283 E CA 1.286 57.796 56.400 0.183 0.000 0.811 283 E CB -0.189 29.608 29.700 0.163 0.000 0.746 283 E HN 0.464 nan 8.360 nan 0.000 0.466 284 A N 0.274 123.078 122.820 -0.028 0.000 1.873 284 A HA -0.145 4.175 4.320 0.000 0.000 0.215 284 A C 2.393 179.927 177.584 -0.084 0.000 1.186 284 A CA 1.872 53.880 52.037 -0.047 0.000 0.616 284 A CB -1.004 17.963 19.000 -0.056 0.000 0.823 284 A HN 0.305 nan 8.150 nan 0.000 0.442 285 T N -0.062 114.419 114.554 -0.122 0.000 2.685 285 T HA -0.183 4.167 4.350 0.000 0.000 0.268 285 T C 1.871 176.318 174.700 -0.422 0.000 1.034 285 T CA 1.791 63.714 62.100 -0.295 0.000 1.149 285 T CB -0.534 68.178 68.868 -0.260 0.000 0.860 285 T HN 0.158 nan 8.240 nan 0.000 0.449 286 V N 2.418 122.213 119.914 -0.198 0.000 2.233 286 V HA -0.219 3.901 4.120 0.000 0.000 0.247 286 V C 2.459 178.385 176.094 -0.281 0.000 1.050 286 V CA 1.761 63.882 62.300 -0.298 0.000 1.010 286 V CB -0.636 31.128 31.823 -0.098 0.000 0.637 286 V HN 0.478 nan 8.190 nan 0.000 0.444 287 N N 0.305 118.918 118.700 -0.145 0.000 2.061 287 N HA -0.191 4.549 4.740 0.000 0.000 0.193 287 N C 2.180 177.665 175.510 -0.043 0.000 1.030 287 N CA 1.942 54.934 53.050 -0.097 0.000 0.856 287 N CB -0.749 37.703 38.487 -0.059 0.000 1.023 287 N HN 0.550 nan 8.380 nan 0.000 0.424 288 S N 0.650 116.334 115.700 -0.026 0.000 2.359 288 S HA -0.152 4.318 4.470 0.000 0.000 0.223 288 S C 1.906 176.668 174.600 0.269 0.000 1.039 288 S CA 1.002 59.244 58.200 0.070 0.000 1.042 288 S CB -0.444 62.787 63.200 0.051 0.000 0.915 288 S HN 0.169 nan 8.310 nan 0.000 0.439 289 F N 1.472 121.436 119.950 0.024 0.000 2.095 289 F HA 0.008 4.535 4.527 0.000 0.000 0.298 289 F C 2.350 178.223 175.800 0.123 0.000 1.104 289 F CA 0.485 58.563 58.000 0.130 0.000 1.232 289 F CB -1.200 37.825 39.000 0.042 0.000 0.987 289 F HN 0.259 nan 8.300 nan 0.000 0.475 290 I N -0.342 120.309 120.570 0.135 0.000 2.252 290 I HA -0.262 3.908 4.170 0.000 0.000 0.245 290 I C 2.024 178.158 176.117 0.029 0.000 1.102 290 I CA 1.256 62.567 61.300 0.017 0.000 1.385 290 I CB -0.366 37.541 38.000 -0.155 0.000 1.064 290 I HN -0.007 nan 8.210 nan 0.000 0.414 291 D N 0.737 121.144 120.400 0.011 0.000 2.117 291 D HA -0.108 4.532 4.640 0.000 0.000 0.198 291 D C 2.210 178.476 176.300 -0.056 0.000 0.982 291 D CA 1.484 55.468 54.000 -0.027 0.000 0.828 291 D CB -0.591 40.184 40.800 -0.042 0.000 0.967 291 D HN 0.361 nan 8.370 nan 0.000 0.464 292 G N 0.612 109.382 108.800 -0.051 0.000 2.462 292 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 292 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 292 G C 1.553 176.282 174.900 -0.284 0.000 1.121 292 G CA 0.538 45.435 45.100 -0.337 0.000 0.758 292 G HN 0.109 nan 8.290 nan 0.000 0.559 293 M N 1.026 120.688 119.600 0.104 0.000 2.081 293 M HA 0.095 4.575 4.480 0.000 0.000 0.261 293 M C 3.097 179.422 176.300 0.041 0.000 1.075 293 M CA 1.399 56.805 55.300 0.178 0.000 1.133 293 M CB -1.320 31.396 32.600 0.192 0.000 1.330 293 M HN 0.296 nan 8.290 nan 0.000 0.414 294 A N 0.066 122.886 122.820 -0.000 0.000 1.940 294 A HA -0.187 4.134 4.320 0.000 0.000 0.219 294 A C 2.012 179.571 177.584 -0.042 0.000 1.176 294 A CA 1.875 53.897 52.037 -0.024 0.000 0.631 294 A CB -0.785 18.194 19.000 -0.035 0.000 0.814 294 A HN 0.604 nan 8.150 nan 0.000 0.446 295 E N -0.967 119.186 120.200 -0.077 0.000 2.358 295 E HA -0.027 4.323 4.350 0.000 0.000 0.195 295 E C 1.596 178.137 176.600 -0.098 0.000 1.010 295 E CA 0.332 56.675 56.400 -0.096 0.000 0.856 295 E CB 0.028 29.650 29.700 -0.130 0.000 0.795 295 E HN 0.510 nan 8.360 nan 0.000 0.504 296 R N 0.618 121.062 120.500 -0.092 0.000 2.388 296 R HA 0.138 4.478 4.340 0.000 0.000 0.247 296 R C -0.109 176.201 176.300 0.016 0.000 0.931 296 R CA -0.085 55.989 56.100 -0.043 0.000 1.082 296 R CB 0.253 30.531 30.300 -0.036 0.000 1.135 296 R HN 0.043 nan 8.270 nan 0.000 0.525 297 N N 1.032 119.737 118.700 0.007 0.000 2.735 297 N HA -0.173 4.567 4.740 0.000 0.000 0.248 297 N C -1.012 174.526 175.510 0.048 0.000 1.083 297 N CA 0.882 53.944 53.050 0.020 0.000 0.703 297 N CB -1.187 37.309 38.487 0.016 0.000 1.005 297 N HN 0.285 nan 8.380 nan 0.000 0.550 298 L N 0.971 122.234 121.223 0.068 0.000 2.270 298 L HA 0.354 4.694 4.340 0.000 0.000 0.286 298 L C -1.825 175.076 176.870 0.052 0.000 1.059 298 L CA -1.562 53.336 54.840 0.097 0.000 0.839 298 L CB 0.615 42.772 42.059 0.163 0.000 1.221 298 L HN -0.246 nan 8.230 nan 0.000 0.431 299 P HA 0.026 nan 4.420 nan 0.000 0.265 299 P C -0.857 176.323 177.300 -0.201 0.000 1.187 299 P CA 0.086 63.156 63.100 -0.049 0.000 0.766 299 P CB 0.863 32.625 31.700 0.103 0.000 0.820 300 L N 3.839 124.752 121.223 -0.517 0.000 2.493 300 L HA 0.291 4.631 4.340 0.000 0.000 0.265 300 L C -0.339 176.141 176.870 -0.651 0.000 0.954 300 L CA -0.402 54.182 54.840 -0.426 0.000 0.844 300 L CB 1.735 43.727 42.059 -0.112 0.000 1.302 300 L HN 0.496 nan 8.230 nan 0.000 0.405 301 H N 2.966 122.058 119.070 0.036 0.000 2.926 301 H HA 0.383 4.939 4.556 0.000 0.000 0.249 301 H C -0.267 174.973 175.328 -0.146 0.000 0.963 301 H CA 0.053 56.093 56.048 -0.013 0.000 1.158 301 H CB 1.165 30.973 29.762 0.077 0.000 1.445 301 H HN 0.228 nan 8.280 nan 0.000 0.452 302 V N 1.311 121.126 119.914 -0.165 0.000 2.531 302 V HA 0.242 4.362 4.120 0.000 0.000 0.301 302 V C -1.350 174.624 176.094 -0.201 0.000 1.034 302 V CA -0.890 61.157 62.300 -0.422 0.000 0.865 302 V CB 2.202 33.259 31.823 -1.277 0.000 0.995 302 V HN 0.103 nan 8.190 nan 0.000 0.424 303 F N 3.669 123.455 119.950 -0.274 0.000 2.443 303 F HA 0.690 5.217 4.527 0.000 0.000 0.335 303 F C -0.219 175.443 175.800 -0.230 0.000 1.104 303 F CA -0.438 57.425 58.000 -0.229 0.000 1.013 303 F CB 1.353 40.192 39.000 -0.268 0.000 1.136 303 F HN 0.707 nan 8.300 nan 0.000 0.470 304 H N 5.391 123.797 119.070 -1.106 0.000 2.481 304 H HA 0.412 4.968 4.556 0.000 0.000 0.333 304 H C -1.607 173.234 175.328 -0.810 0.000 1.066 304 H CA -0.784 54.856 56.048 -0.680 0.000 1.209 304 H CB 0.640 30.114 29.762 -0.480 0.000 1.445 304 H HN 0.461 nan 8.280 nan 0.000 0.488 305 F N 4.054 123.529 119.950 -0.791 0.000 2.421 305 F HA 0.172 4.699 4.527 0.000 0.000 0.358 305 F C 0.832 176.237 175.800 -0.658 0.000 1.115 305 F CA -0.300 57.365 58.000 -0.558 0.000 1.160 305 F CB 0.607 39.389 39.000 -0.363 0.000 1.123 305 F HN 0.645 nan 8.300 nan 0.000 0.508 306 D N 1.209 121.507 120.400 -0.171 0.000 2.469 306 D HA 0.177 4.817 4.640 0.000 0.000 0.278 306 D C 1.061 177.522 176.300 0.270 0.000 1.231 306 D CA -0.382 53.702 54.000 0.140 0.000 1.075 306 D CB 0.821 41.797 40.800 0.293 0.000 1.121 306 D HN 0.563 nan 8.370 nan 0.000 0.571 307 C N -0.403 118.798 119.300 -0.165 0.000 2.411 307 C HA -0.107 4.353 4.460 0.000 0.000 0.279 307 C C 2.139 176.523 174.990 -1.011 0.000 1.288 307 C CA 0.314 58.583 59.018 -1.250 0.000 1.764 307 C CB -1.189 25.266 27.740 -2.141 0.000 1.974 307 C HN 0.447 nan 8.230 nan 0.000 0.498 308 F N 1.362 121.244 119.950 -0.114 0.000 2.725 308 F HA 0.045 4.572 4.527 0.000 0.000 0.303 308 F C 2.017 177.999 175.800 0.303 0.000 1.167 308 F CA -0.116 57.918 58.000 0.056 0.000 1.403 308 F CB -0.640 38.282 39.000 -0.131 0.000 1.077 308 F HN 0.565 nan 8.300 nan 0.000 0.537 309 W N -0.371 121.115 121.300 0.309 0.000 2.425 309 W HA 0.001 4.661 4.660 0.000 0.000 0.277 309 W C 0.158 176.736 176.519 0.099 0.000 1.231 309 W CA 0.381 57.836 57.345 0.183 0.000 1.248 309 W CB -0.752 28.469 29.460 -0.398 0.000 1.117 309 W HN -0.015 nan 8.180 nan 0.000 0.568 310 M N 1.304 120.616 119.600 -0.479 0.000 2.573 310 M HA 0.275 4.755 4.480 0.000 0.000 0.309 310 M C 0.235 176.586 176.300 0.085 0.000 1.202 310 M CA -0.620 54.473 55.300 -0.344 0.000 0.975 310 M CB 1.653 33.894 32.600 -0.598 0.000 1.600 310 M HN -0.375 nan 8.290 nan 0.000 0.479 311 K N 1.036 121.487 120.400 0.085 0.000 2.382 311 K HA 0.390 4.710 4.320 0.000 0.000 0.275 311 K C -0.251 176.244 176.600 -0.175 0.000 1.009 311 K CA -0.421 55.895 56.287 0.049 0.000 0.970 311 K CB 0.455 32.972 32.500 0.029 0.000 0.934 311 K HN 0.697 nan 8.250 nan 0.000 0.479 312 A N 2.456 125.064 122.820 -0.353 0.000 2.540 312 A HA 0.124 4.444 4.320 0.000 0.000 0.239 312 A C -0.047 176.983 177.584 -0.922 0.000 1.061 312 A CA 0.069 51.499 52.037 -1.012 0.000 0.758 312 A CB -0.734 17.693 19.000 -0.956 0.000 0.991 312 A HN 0.765 nan 8.150 nan 0.000 0.502 313 F N -1.152 118.205 119.950 -0.987 0.000 2.871 313 F HA -0.256 4.271 4.527 0.000 0.000 0.326 313 F C 1.269 176.785 175.800 -0.474 0.000 0.675 313 F CA 1.658 59.253 58.000 -0.675 0.000 1.188 313 F CB -1.963 36.782 39.000 -0.425 0.000 1.567 313 F HN 0.740 nan 8.300 nan 0.000 0.325 314 Q N -1.372 118.218 119.800 -0.350 0.000 2.194 314 Q HA 0.058 4.398 4.340 0.000 0.000 0.214 314 Q C 0.125 176.155 176.000 0.050 0.000 0.838 314 Q CA -0.303 55.449 55.803 -0.084 0.000 0.972 314 Q CB 0.399 29.126 28.738 -0.018 0.000 1.131 314 Q HN 0.314 nan 8.270 nan 0.000 0.498 315 W N 0.150 121.402 121.300 -0.081 0.000 2.193 315 W HA 0.033 4.693 4.660 0.000 0.000 0.338 315 W C 0.945 177.582 176.519 0.197 0.000 1.310 315 W CA -1.270 56.077 57.345 0.004 0.000 1.243 315 W CB 0.045 29.502 29.460 -0.006 0.000 1.165 315 W HN 0.119 nan 8.180 nan 0.000 0.566 316 C N 3.398 122.964 119.300 0.442 0.000 4.350 316 C HA -0.265 4.195 4.460 0.000 0.000 0.302 316 C C 1.292 176.258 174.990 -0.041 0.000 1.390 316 C CA 1.047 60.125 59.018 0.099 0.000 2.016 316 C CB -2.337 25.392 27.740 -0.019 0.000 1.271 316 C HN 0.704 nan 8.230 nan 0.000 0.760 317 D N -1.565 118.811 120.400 -0.040 0.000 2.398 317 D HA 0.162 4.802 4.640 0.000 0.000 0.210 317 D C 0.886 177.324 176.300 0.230 0.000 1.094 317 D CA -0.011 54.111 54.000 0.203 0.000 0.839 317 D CB -0.348 40.615 40.800 0.272 0.000 0.963 317 D HN 0.513 nan 8.370 nan 0.000 0.506 318 F N 0.045 120.025 119.950 0.051 0.000 3.006 318 F HA -0.207 4.320 4.527 0.000 0.000 0.289 318 F C -0.212 175.641 175.800 0.089 0.000 0.772 318 F CA 0.542 58.577 58.000 0.058 0.000 1.162 318 F CB -1.990 37.066 39.000 0.093 0.000 1.382 318 F HN -0.011 nan 8.300 nan 0.000 0.406 319 E N 0.285 120.551 120.200 0.110 0.000 2.146 319 E HA 0.184 4.534 4.350 0.000 0.000 0.282 319 E C -0.258 176.422 176.600 0.134 0.000 0.989 319 E CA -0.655 55.868 56.400 0.205 0.000 0.799 319 E CB 0.431 30.250 29.700 0.199 0.000 1.088 319 E HN 0.216 nan 8.360 nan 0.000 0.397 320 W N 1.824 123.325 121.300 0.336 0.000 2.223 320 W HA -0.021 4.639 4.660 0.000 0.000 0.334 320 W C 0.977 177.661 176.519 0.274 0.000 1.334 320 W CA 0.047 57.627 57.345 0.393 0.000 1.246 320 W CB 0.338 30.021 29.460 0.372 0.000 1.184 320 W HN 0.310 nan 8.180 nan 0.000 0.563 321 D N 5.328 126.042 120.400 0.524 0.000 2.346 321 D HA 0.059 4.699 4.640 0.000 0.000 0.260 321 D C -1.376 175.142 176.300 0.363 0.000 1.252 321 D CA -2.010 52.208 54.000 0.363 0.000 0.895 321 D CB 1.311 42.305 40.800 0.322 0.000 1.097 321 D HN 0.062 nan 8.370 nan 0.000 0.489 322 P HA 0.010 nan 4.420 nan 0.000 0.236 322 P C 1.539 178.907 177.300 0.114 0.000 1.177 322 P CA 0.363 63.577 63.100 0.190 0.000 0.773 322 P CB 0.311 32.100 31.700 0.148 0.000 0.878 323 L N -1.389 119.887 121.223 0.088 0.000 2.156 323 L HA -0.041 4.299 4.340 0.000 0.000 0.208 323 L C 2.293 179.145 176.870 -0.031 0.000 1.095 323 L CA 1.452 56.307 54.840 0.025 0.000 0.770 323 L CB -1.161 40.906 42.059 0.014 0.000 0.914 323 L HN 0.006 nan 8.230 nan 0.000 0.439 324 T N -1.387 113.143 114.554 -0.041 0.000 3.046 324 T HA 0.157 4.507 4.350 0.000 0.000 0.242 324 T C 0.026 174.419 174.700 -0.512 0.000 1.018 324 T CA 0.347 62.282 62.100 -0.275 0.000 1.131 324 T CB 0.205 68.949 68.868 -0.207 0.000 0.904 324 T HN -0.032 nan 8.240 nan 0.000 0.459 325 F N 1.499 121.573 119.950 0.207 0.000 2.564 325 F HA 0.397 4.924 4.527 0.000 0.000 0.361 325 F C -2.165 173.677 175.800 0.071 0.000 1.161 325 F CA -2.449 55.648 58.000 0.163 0.000 1.198 325 F CB 1.578 40.763 39.000 0.308 0.000 1.424 325 F HN -0.026 nan 8.300 nan 0.000 0.517 326 P HA -0.101 nan 4.420 nan 0.000 0.221 326 P C 0.019 177.327 177.300 0.013 0.000 1.150 326 P CA 1.302 64.442 63.100 0.066 0.000 0.800 326 P CB 0.368 32.083 31.700 0.025 0.000 0.787 327 D N -1.899 118.481 120.400 -0.033 0.000 2.364 327 D HA 0.181 4.821 4.640 0.000 0.000 0.251 327 D C -2.160 173.981 176.300 -0.265 0.000 1.282 327 D CA -2.175 51.752 54.000 -0.122 0.000 0.927 327 D CB 0.688 41.437 40.800 -0.086 0.000 1.267 327 D HN -0.167 nan 8.370 nan 0.000 0.531 328 P HA -0.079 nan 4.420 nan 0.000 0.215 328 P C 1.203 178.074 177.300 -0.715 0.000 1.157 328 P CA 0.763 63.239 63.100 -1.041 0.000 0.863 328 P CB 0.462 30.954 31.700 -2.013 0.000 0.787 329 E N -0.425 119.490 120.200 -0.475 0.000 2.077 329 E HA -0.130 4.220 4.350 0.000 0.000 0.193 329 E C 2.208 178.674 176.600 -0.223 0.000 0.989 329 E CA 1.366 57.586 56.400 -0.299 0.000 0.800 329 E CB -0.936 28.643 29.700 -0.201 0.000 0.746 329 E HN 0.110 nan 8.360 nan 0.000 0.452 330 G N 1.528 110.214 108.800 -0.190 0.000 2.459 330 G HA2 -0.356 3.604 3.960 0.000 0.000 0.217 330 G HA3 -0.356 3.604 3.960 0.000 0.000 0.217 330 G C 1.575 176.397 174.900 -0.128 0.000 1.183 330 G CA 1.124 46.144 45.100 -0.133 0.000 0.776 330 G HN 0.344 nan 8.290 nan 0.000 0.552 331 M N -0.025 119.485 119.600 -0.151 0.000 2.080 331 M HA -0.039 4.441 4.480 0.000 0.000 0.260 331 M C 2.522 178.759 176.300 -0.106 0.000 1.068 331 M CA 1.597 56.835 55.300 -0.104 0.000 1.109 331 M CB -0.274 32.281 32.600 -0.075 0.000 1.342 331 M HN 0.257 nan 8.290 nan 0.000 0.405 332 I N 0.154 120.609 120.570 -0.192 0.000 2.163 332 I HA -0.322 3.848 4.170 0.000 0.000 0.243 332 I C 2.547 178.600 176.117 -0.106 0.000 1.085 332 I CA 1.474 62.691 61.300 -0.138 0.000 1.347 332 I CB -0.459 37.417 38.000 -0.208 0.000 1.044 332 I HN 0.331 nan 8.210 nan 0.000 0.408 333 R N 0.045 120.473 120.500 -0.120 0.000 2.148 333 R HA -0.120 4.220 4.340 0.000 0.000 0.227 333 R C 2.336 178.584 176.300 -0.088 0.000 1.103 333 R CA 0.735 56.773 56.100 -0.104 0.000 0.983 333 R CB -0.391 29.848 30.300 -0.101 0.000 0.874 333 R HN 0.385 nan 8.270 nan 0.000 0.451 334 R N 1.325 121.776 120.500 -0.081 0.000 2.073 334 R HA -0.074 4.266 4.340 0.000 0.000 0.234 334 R C 2.282 178.539 176.300 -0.071 0.000 1.134 334 R CA 1.167 57.226 56.100 -0.069 0.000 0.952 334 R CB -0.233 30.031 30.300 -0.061 0.000 0.850 334 R HN 0.146 nan 8.270 nan 0.000 0.433 335 L N 0.963 122.147 121.223 -0.066 0.000 2.042 335 L HA -0.224 4.116 4.340 0.000 0.000 0.210 335 L C 2.773 179.590 176.870 -0.089 0.000 1.076 335 L CA 1.716 56.513 54.840 -0.072 0.000 0.749 335 L CB -0.635 41.400 42.059 -0.041 0.000 0.893 335 L HN 0.314 nan 8.230 nan 0.000 0.432 336 K N 0.535 120.876 120.400 -0.097 0.000 2.097 336 K HA -0.196 4.124 4.320 0.000 0.000 0.206 336 K C 2.114 178.650 176.600 -0.107 0.000 1.049 336 K CA 1.387 57.602 56.287 -0.121 0.000 0.933 336 K CB -0.034 32.390 32.500 -0.127 0.000 0.717 336 K HN 0.280 nan 8.250 nan 0.000 0.442 337 A N 1.550 124.317 122.820 -0.089 0.000 1.930 337 A HA -0.136 4.184 4.320 0.000 0.000 0.217 337 A C 1.620 179.161 177.584 -0.072 0.000 1.175 337 A CA 1.436 53.426 52.037 -0.077 0.000 0.627 337 A CB -0.246 18.713 19.000 -0.068 0.000 0.815 337 A HN 0.344 nan 8.150 nan 0.000 0.443 338 K N -1.032 119.324 120.400 -0.074 0.000 2.525 338 K HA 0.205 4.525 4.320 0.000 0.000 0.192 338 K C 1.023 177.580 176.600 -0.071 0.000 1.029 338 K CA 0.453 56.699 56.287 -0.068 0.000 1.029 338 K CB -0.179 32.279 32.500 -0.070 0.000 0.814 338 K HN 0.671 nan 8.250 nan 0.000 0.503 339 G N 1.445 110.194 108.800 -0.085 0.000 2.157 339 G HA2 -0.264 3.696 3.960 0.000 0.000 0.248 339 G HA3 -0.264 3.696 3.960 0.000 0.000 0.248 339 G C 0.045 174.877 174.900 -0.113 0.000 0.979 339 G CA -0.324 44.721 45.100 -0.091 0.000 0.650 339 G HN 0.183 nan 8.290 nan 0.000 0.529 340 L N 0.663 121.812 121.223 -0.124 0.000 2.426 340 L HA 0.330 4.670 4.340 0.000 0.000 0.271 340 L C 0.859 177.580 176.870 -0.247 0.000 1.169 340 L CA -0.336 54.415 54.840 -0.148 0.000 0.836 340 L CB 0.563 42.558 42.059 -0.107 0.000 1.112 340 L HN -0.020 nan 8.230 nan 0.000 0.465 341 K N 3.313 123.496 120.400 -0.361 0.000 2.098 341 K HA 0.500 4.821 4.320 0.000 0.000 0.257 341 K C -0.519 175.860 176.600 -0.368 0.000 0.999 341 K CA -0.598 55.348 56.287 -0.568 0.000 0.924 341 K CB 1.760 33.565 32.500 -1.159 0.000 1.028 341 K HN 0.323 nan 8.250 nan 0.000 0.466 342 I N 1.310 121.685 120.570 -0.325 0.000 2.418 342 I HA 0.162 4.332 4.170 0.000 0.000 0.287 342 I C -0.107 175.921 176.117 -0.148 0.000 1.008 342 I CA -0.745 60.472 61.300 -0.138 0.000 1.104 342 I CB 1.401 39.381 38.000 -0.033 0.000 1.264 342 I HN 0.504 nan 8.210 nan 0.000 0.438 343 C N 7.694 126.960 119.300 -0.055 0.000 2.411 343 C HA 0.845 5.305 4.460 0.000 0.000 0.330 343 C C -0.014 175.044 174.990 0.113 0.000 1.224 343 C CA -0.228 58.818 59.018 0.048 0.000 1.770 343 C CB 0.966 28.848 27.740 0.237 0.000 2.297 343 C HN 0.641 nan 8.230 nan 0.000 0.507 344 V N 3.033 122.997 119.914 0.084 0.000 2.823 344 V HA 0.666 4.786 4.120 0.000 0.000 0.312 344 V C -0.738 175.615 176.094 0.433 0.000 1.072 344 V CA -0.906 61.409 62.300 0.025 0.000 0.937 344 V CB 1.391 32.927 31.823 -0.478 0.000 1.013 344 V HN 1.086 nan 8.190 nan 0.000 0.430 345 W N 5.733 127.253 121.300 0.367 0.000 2.190 345 W HA 0.681 5.341 4.660 0.000 0.000 0.330 345 W C -0.206 176.627 176.519 0.524 0.000 1.299 345 W CA 0.180 57.816 57.345 0.484 0.000 1.215 345 W CB 0.741 30.427 29.460 0.375 0.000 1.147 345 W HN 0.894 nan 8.180 nan 0.000 0.563 346 I N 3.708 124.129 120.570 -0.249 0.000 3.279 346 I HA 0.658 4.828 4.170 0.000 0.000 0.315 346 I C -1.086 174.434 176.117 -0.995 0.000 1.225 346 I CA -1.229 59.822 61.300 -0.416 0.000 0.947 346 I CB 2.264 40.318 38.000 0.090 0.000 1.293 346 I HN 0.618 nan 8.210 nan 0.000 0.468 347 N N 0.816 119.191 118.700 -0.542 0.000 3.116 347 N HA 0.487 5.227 4.740 0.000 0.000 0.244 347 N C -2.976 172.460 175.510 -0.122 0.000 1.485 347 N CA -1.652 51.198 53.050 -0.334 0.000 0.884 347 N CB 1.474 39.688 38.487 -0.454 0.000 1.415 347 N HN 0.401 nan 8.380 nan 0.000 0.524 348 P HA 0.291 nan 4.420 nan 0.000 0.249 348 P C -1.116 176.343 177.300 0.265 0.000 1.583 348 P CA 0.309 63.291 63.100 -0.195 0.000 0.988 348 P CB -0.472 30.888 31.700 -0.567 0.000 1.530 349 Y N -0.206 120.309 120.300 0.358 0.000 2.602 349 Y HA 0.631 5.181 4.550 0.000 0.000 0.342 349 Y C 0.208 176.280 175.900 0.288 0.000 1.029 349 Y CA -2.531 55.714 58.100 0.243 0.000 1.080 349 Y CB 1.456 40.071 38.460 0.258 0.000 1.284 349 Y HN -0.245 nan 8.280 nan 0.000 0.485 350 I N 0.686 121.451 120.570 0.324 0.000 2.607 350 I HA 0.679 4.849 4.170 0.000 0.000 0.290 350 I C -0.118 176.179 176.117 0.299 0.000 1.129 350 I CA -0.604 60.873 61.300 0.295 0.000 1.042 350 I CB 1.660 39.745 38.000 0.143 0.000 1.242 350 I HN 0.767 nan 8.210 nan 0.000 0.421 351 G N 4.513 113.439 108.800 0.209 0.000 2.491 351 G HA2 0.062 4.022 3.960 0.000 0.000 0.242 351 G HA3 0.062 4.022 3.960 0.000 0.000 0.242 351 G C 0.292 175.114 174.900 -0.130 0.000 1.266 351 G CA -0.196 44.922 45.100 0.030 0.000 0.844 351 G HN 0.859 nan 8.290 nan 0.000 0.571 352 Q N 1.140 120.647 119.800 -0.489 0.000 2.297 352 Q HA -0.087 4.253 4.340 0.000 0.000 0.204 352 Q C 2.199 177.873 176.000 -0.544 0.000 0.962 352 Q CA 1.236 56.348 55.803 -1.152 0.000 0.879 352 Q CB -0.048 28.012 28.738 -1.129 0.000 0.947 352 Q HN 0.714 nan 8.270 nan 0.000 0.462 353 K N 0.331 120.565 120.400 -0.278 0.000 2.209 353 K HA -0.051 4.269 4.320 0.000 0.000 0.204 353 K C 0.627 177.206 176.600 -0.034 0.000 1.048 353 K CA 0.595 56.799 56.287 -0.139 0.000 0.940 353 K CB -0.074 32.374 32.500 -0.086 0.000 0.729 353 K HN 0.030 nan 8.250 nan 0.000 0.451 354 S N 1.235 116.948 115.700 0.022 0.000 2.546 354 S HA 0.041 4.511 4.470 0.000 0.000 0.290 354 S C -1.840 172.855 174.600 0.158 0.000 1.290 354 S CA -1.245 57.027 58.200 0.120 0.000 1.069 354 S CB 0.853 64.173 63.200 0.199 0.000 0.846 354 S HN 0.094 nan 8.310 nan 0.000 0.495 355 P HA -0.116 nan 4.420 nan 0.000 0.218 355 P C 1.107 178.526 177.300 0.199 0.000 1.146 355 P CA 0.838 64.031 63.100 0.155 0.000 0.813 355 P CB 0.039 31.827 31.700 0.147 0.000 0.778 356 V N -2.235 117.833 119.914 0.257 0.000 2.951 356 V HA -0.139 3.981 4.120 0.000 0.000 0.255 356 V C 1.982 178.197 176.094 0.202 0.000 1.088 356 V CA 0.832 63.309 62.300 0.296 0.000 1.109 356 V CB -1.397 30.712 31.823 0.476 0.000 0.724 356 V HN 0.037 nan 8.190 nan 0.000 0.471 357 F N 1.625 121.612 119.950 0.061 0.000 2.063 357 F HA -0.273 4.254 4.527 0.000 0.000 0.298 357 F C 2.540 178.313 175.800 -0.045 0.000 1.109 357 F CA 2.478 60.470 58.000 -0.013 0.000 1.212 357 F CB -0.088 38.904 39.000 -0.012 0.000 0.973 357 F HN -0.011 nan 8.300 nan 0.000 0.480 358 K N 0.378 120.878 120.400 0.166 0.000 2.057 358 K HA -0.263 4.057 4.320 0.000 0.000 0.207 358 K C 2.232 178.794 176.600 -0.065 0.000 1.049 358 K CA 1.740 58.064 56.287 0.062 0.000 0.931 358 K CB -0.434 32.130 32.500 0.107 0.000 0.714 358 K HN 0.487 nan 8.250 nan 0.000 0.440 359 E N 0.757 120.936 120.200 -0.035 0.000 2.070 359 E HA -0.232 4.118 4.350 0.000 0.000 0.197 359 E C 2.099 178.534 176.600 -0.274 0.000 1.004 359 E CA 1.386 57.733 56.400 -0.089 0.000 0.805 359 E CB -0.127 29.592 29.700 0.031 0.000 0.744 359 E HN 0.321 nan 8.360 nan 0.000 0.451 360 L N 0.509 121.522 121.223 -0.350 0.000 2.083 360 L HA -0.199 4.141 4.340 0.000 0.000 0.209 360 L C 2.947 179.534 176.870 -0.471 0.000 1.083 360 L CA 1.560 56.094 54.840 -0.510 0.000 0.752 360 L CB -0.429 41.316 42.059 -0.524 0.000 0.899 360 L HN 0.312 nan 8.230 nan 0.000 0.433 361 Q N 0.397 119.925 119.800 -0.453 0.000 2.079 361 Q HA -0.231 4.109 4.340 0.000 0.000 0.200 361 Q C 1.975 177.832 176.000 -0.239 0.000 0.974 361 Q CA 1.633 57.223 55.803 -0.355 0.000 0.840 361 Q CB 0.063 28.607 28.738 -0.323 0.000 0.898 361 Q HN 0.513 nan 8.270 nan 0.000 0.430 362 E N 0.156 120.226 120.200 -0.216 0.000 2.150 362 E HA -0.142 4.208 4.350 0.000 0.000 0.193 362 E C 1.707 178.176 176.600 -0.219 0.000 0.985 362 E CA 0.903 57.205 56.400 -0.163 0.000 0.814 362 E CB 0.145 29.776 29.700 -0.116 0.000 0.752 362 E HN 0.274 nan 8.360 nan 0.000 0.466 363 K N -0.434 119.730 120.400 -0.393 0.000 2.418 363 K HA 0.039 4.359 4.320 0.000 0.000 0.195 363 K C 0.878 177.242 176.600 -0.394 0.000 1.035 363 K CA 0.469 56.408 56.287 -0.579 0.000 1.003 363 K CB 0.477 32.212 32.500 -1.276 0.000 0.793 363 K HN 0.209 nan 8.250 nan 0.000 0.494 364 G N 1.186 109.849 108.800 -0.228 0.000 2.198 364 G HA2 -0.242 3.718 3.960 0.000 0.000 0.257 364 G HA3 -0.242 3.718 3.960 0.000 0.000 0.257 364 G C 0.135 175.121 174.900 0.143 0.000 1.042 364 G CA -0.001 45.088 45.100 -0.018 0.000 0.791 364 G HN 0.259 nan 8.290 nan 0.000 0.502 365 Y N -0.752 119.461 120.300 -0.144 0.000 2.482 365 Y HA 0.436 4.986 4.550 0.000 0.000 0.270 365 Y C 1.760 177.573 175.900 -0.145 0.000 1.152 365 Y CA -0.549 57.465 58.100 -0.143 0.000 1.292 365 Y CB 0.149 38.482 38.460 -0.212 0.000 1.070 365 Y HN 0.324 nan 8.280 nan 0.000 0.528 366 L N 0.163 121.352 121.223 -0.055 0.000 2.334 366 L HA 0.325 4.665 4.340 0.000 0.000 0.272 366 L C -0.391 176.409 176.870 -0.117 0.000 1.020 366 L CA -1.367 53.376 54.840 -0.161 0.000 0.812 366 L CB 1.493 43.372 42.059 -0.300 0.000 1.264 366 L HN -0.180 nan 8.230 nan 0.000 0.439 367 L N 2.653 123.774 121.223 -0.169 0.000 2.513 367 L HA 0.105 4.445 4.340 0.000 0.000 0.272 367 L C -0.156 176.605 176.870 -0.181 0.000 1.187 367 L CA 0.660 55.337 54.840 -0.272 0.000 0.895 367 L CB -0.089 41.666 42.059 -0.506 0.000 1.147 367 L HN 0.444 nan 8.230 nan 0.000 0.483 368 K N 4.829 125.121 120.400 -0.180 0.000 2.123 368 K HA 0.522 4.842 4.320 0.000 0.000 0.248 368 K C -0.217 176.330 176.600 -0.089 0.000 0.969 368 K CA -0.847 55.386 56.287 -0.090 0.000 0.882 368 K CB 1.261 33.730 32.500 -0.051 0.000 1.080 368 K HN 0.566 nan 8.250 nan 0.000 0.441 369 R N 1.070 121.564 120.500 -0.010 0.000 2.637 369 R HA 0.071 4.411 4.340 0.000 0.000 0.269 369 R C -1.741 174.547 176.300 -0.019 0.000 1.089 369 R CA -1.635 54.467 56.100 0.004 0.000 1.177 369 R CB -0.038 30.286 30.300 0.039 0.000 1.091 369 R HN 0.364 nan 8.270 nan 0.000 0.540 370 P HA -0.193 nan 4.420 nan 0.000 0.217 370 P C 0.433 177.731 177.300 -0.005 0.000 1.148 370 P CA 1.365 64.460 63.100 -0.008 0.000 0.828 370 P CB 0.059 31.761 31.700 0.004 0.000 0.783 371 D N -1.764 118.635 120.400 -0.001 0.000 2.363 371 D HA 0.005 4.645 4.640 0.000 0.000 0.220 371 D C 1.519 177.816 176.300 -0.005 0.000 0.994 371 D CA 1.120 55.119 54.000 -0.002 0.000 0.890 371 D CB -0.788 40.012 40.800 -0.001 0.000 0.906 371 D HN 0.274 nan 8.370 nan 0.000 0.530 372 G N -0.154 108.641 108.800 -0.008 0.000 2.259 372 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 372 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 372 G C 0.453 175.346 174.900 -0.012 0.000 1.001 372 G CA 0.299 45.395 45.100 -0.008 0.000 0.627 372 G HN 0.810 nan 8.290 nan 0.000 0.501 373 S N 0.882 116.575 115.700 -0.011 0.000 2.600 373 S HA 0.676 5.146 4.470 0.000 0.000 0.265 373 S C 0.661 175.254 174.600 -0.013 0.000 1.325 373 S CA -0.615 57.577 58.200 -0.014 0.000 1.002 373 S CB 1.142 64.332 63.200 -0.016 0.000 0.921 373 S HN 0.706 nan 8.310 nan 0.000 0.554 374 L N 0.865 122.080 121.223 -0.013 0.000 2.456 374 L HA 0.183 4.523 4.340 0.000 0.000 0.272 374 L C 0.195 177.077 176.870 0.020 0.000 1.189 374 L CA -0.519 54.321 54.840 -0.001 0.000 0.846 374 L CB 0.175 42.240 42.059 0.010 0.000 1.111 374 L HN 0.823 nan 8.230 nan 0.000 0.475 375 W N 4.487 125.700 121.300 -0.145 0.000 2.368 375 W HA 0.217 4.877 4.660 0.000 0.000 0.316 375 W C -0.281 176.152 176.519 -0.143 0.000 1.375 375 W CA 0.073 57.315 57.345 -0.171 0.000 1.261 375 W CB 0.361 29.663 29.460 -0.263 0.000 1.298 375 W HN 0.453 nan 8.180 nan 0.000 0.539 376 Q N 5.515 124.868 119.800 -0.745 0.000 2.416 376 Q HA 0.416 4.756 4.340 0.000 0.000 0.281 376 Q C -0.960 174.508 176.000 -0.887 0.000 1.067 376 Q CA -0.900 54.539 55.803 -0.606 0.000 0.809 376 Q CB 2.494 31.110 28.738 -0.203 0.000 1.418 376 Q HN 0.554 nan 8.270 nan 0.000 0.411 377 W N 0.056 120.954 121.300 -0.670 0.000 2.940 377 W HA 0.511 5.171 4.660 0.000 0.000 0.394 377 W C -1.086 175.315 176.519 -0.197 0.000 1.155 377 W CA -0.901 56.190 57.345 -0.423 0.000 1.165 377 W CB -0.088 29.141 29.460 -0.385 0.000 1.492 377 W HN 0.479 nan 8.180 nan 0.000 0.593 378 D N 0.363 120.775 120.400 0.020 0.000 2.440 378 D HA 0.146 4.786 4.640 0.000 0.000 0.216 378 D C -0.340 175.840 176.300 -0.201 0.000 1.150 378 D CA 0.065 54.011 54.000 -0.091 0.000 0.832 378 D CB 0.515 41.250 40.800 -0.109 0.000 0.992 378 D HN 0.141 nan 8.370 nan 0.000 0.502 379 K N 0.159 120.237 120.400 -0.536 0.000 2.218 379 K HA 0.071 4.391 4.320 0.000 0.000 0.276 379 K C 0.646 177.334 176.600 0.146 0.000 1.022 379 K CA -0.510 55.538 56.287 -0.398 0.000 0.946 379 K CB 1.732 33.625 32.500 -1.010 0.000 1.000 379 K HN 0.080 nan 8.250 nan 0.000 0.468 380 W N 0.448 121.778 121.300 0.050 0.000 0.764 380 W HA -0.378 4.282 4.660 0.000 0.000 0.224 380 W C -0.741 175.855 176.519 0.129 0.000 1.033 380 W CA 1.622 59.069 57.345 0.169 0.000 0.992 380 W CB -0.456 29.115 29.460 0.185 0.000 1.776 380 W HN 0.543 nan 8.180 nan 0.000 0.507 381 Q N 0.635 120.475 119.800 0.066 0.000 2.397 381 Q HA 0.403 4.743 4.340 0.000 0.000 0.275 381 Q C -2.250 173.732 176.000 -0.030 0.000 1.090 381 Q CA -1.827 53.921 55.803 -0.092 0.000 0.809 381 Q CB 1.476 30.184 28.738 -0.050 0.000 1.362 381 Q HN -0.081 nan 8.270 nan 0.000 0.431 382 P HA 0.039 nan 4.420 nan 0.000 0.266 382 P C 0.457 177.658 177.300 -0.165 0.000 1.215 382 P CA 0.701 63.693 63.100 -0.180 0.000 0.763 382 P CB 0.142 31.642 31.700 -0.334 0.000 0.806 383 G N 2.878 111.605 108.800 -0.122 0.000 2.273 383 G HA2 -0.281 3.679 3.960 0.000 0.000 0.280 383 G HA3 -0.281 3.679 3.960 0.000 0.000 0.280 383 G C -0.077 174.786 174.900 -0.061 0.000 1.047 383 G CA -0.145 44.868 45.100 -0.145 0.000 0.869 383 G HN 0.635 nan 8.290 nan 0.000 0.502 384 L N 0.140 121.418 121.223 0.091 0.000 2.499 384 L HA 0.556 4.896 4.340 0.000 0.000 0.273 384 L C 0.735 177.741 176.870 0.226 0.000 1.195 384 L CA 0.375 55.343 54.840 0.213 0.000 0.882 384 L CB 0.534 42.803 42.059 0.350 0.000 1.133 384 L HN 0.606 nan 8.230 nan 0.000 0.483 385 A N 6.337 129.333 122.820 0.292 0.000 2.313 385 A HA 0.779 5.099 4.320 0.000 0.000 0.323 385 A C -0.722 176.908 177.584 0.078 0.000 1.133 385 A CA -0.763 51.397 52.037 0.205 0.000 0.847 385 A CB 1.069 20.151 19.000 0.138 0.000 1.308 385 A HN 0.708 nan 8.150 nan 0.000 0.475 386 I N 0.564 121.115 120.570 -0.032 0.000 2.433 386 I HA 0.243 4.413 4.170 0.000 0.000 0.292 386 I C -1.104 174.904 176.117 -0.182 0.000 1.001 386 I CA -0.500 60.761 61.300 -0.066 0.000 1.119 386 I CB 1.448 39.321 38.000 -0.211 0.000 1.289 386 I HN 0.636 nan 8.210 nan 0.000 0.438 387 Y N 3.507 123.727 120.300 -0.134 0.000 2.632 387 Y HA -0.070 4.480 4.550 0.000 0.000 0.329 387 Y C 0.806 176.463 175.900 -0.405 0.000 1.174 387 Y CA 0.172 58.059 58.100 -0.355 0.000 1.469 387 Y CB 0.097 38.162 38.460 -0.658 0.000 1.242 387 Y HN 0.443 nan 8.280 nan 0.000 0.540 388 D N 4.566 124.954 120.400 -0.019 0.000 2.453 388 D HA 0.051 4.691 4.640 0.000 0.000 0.223 388 D C 0.130 176.555 176.300 0.208 0.000 1.183 388 D CA 0.020 54.126 54.000 0.176 0.000 0.933 388 D CB -0.289 40.615 40.800 0.173 0.000 1.038 388 D HN 0.545 nan 8.370 nan 0.000 0.513 389 F N 0.903 121.039 119.950 0.309 0.000 2.771 389 F HA -0.087 4.440 4.527 0.000 0.000 0.299 389 F C 2.403 178.240 175.800 0.062 0.000 1.177 389 F CA 0.391 58.424 58.000 0.056 0.000 1.450 389 F CB 0.166 39.072 39.000 -0.157 0.000 1.114 389 F HN 0.321 nan 8.300 nan 0.000 0.587 390 T N -3.413 111.347 114.554 0.345 0.000 3.129 390 T HA -0.027 4.323 4.350 0.000 0.000 0.251 390 T C 0.606 175.444 174.700 0.230 0.000 1.117 390 T CA -0.135 62.134 62.100 0.281 0.000 1.034 390 T CB -0.317 68.765 68.868 0.357 0.000 0.968 390 T HN -0.011 nan 8.240 nan 0.000 0.526 391 N N 2.168 120.889 118.700 0.035 0.000 2.485 391 N HA 0.324 5.064 4.740 0.000 0.000 0.243 391 N C -2.261 173.065 175.510 -0.306 0.000 0.987 391 N CA -2.446 50.312 53.050 -0.488 0.000 0.940 391 N CB 2.020 40.195 38.487 -0.519 0.000 1.122 391 N HN -0.054 nan 8.380 nan 0.000 0.509 392 P HA -0.081 nan 4.420 nan 0.000 0.218 392 P C 0.390 177.579 177.300 -0.184 0.000 1.148 392 P CA 1.091 64.108 63.100 -0.137 0.000 0.822 392 P CB 0.491 32.152 31.700 -0.065 0.000 0.784 393 D N -0.990 119.227 120.400 -0.305 0.000 2.149 393 D HA -0.045 4.595 4.640 0.000 0.000 0.201 393 D C 2.024 177.887 176.300 -0.730 0.000 0.972 393 D CA 1.269 55.052 54.000 -0.361 0.000 0.835 393 D CB -0.709 39.958 40.800 -0.222 0.000 0.966 393 D HN 0.035 nan 8.370 nan 0.000 0.476 394 A N 0.411 122.722 122.820 -0.848 0.000 1.902 394 A HA -0.190 4.130 4.320 0.000 0.000 0.217 394 A C 2.514 180.068 177.584 -0.049 0.000 1.181 394 A CA 1.234 52.903 52.037 -0.615 0.000 0.623 394 A CB -0.954 17.913 19.000 -0.222 0.000 0.818 394 A HN 0.331 nan 8.150 nan 0.000 0.443 395 C N -0.626 118.672 119.300 -0.004 0.000 2.429 395 C HA -0.073 4.388 4.460 0.000 0.000 0.277 395 C C 2.738 177.757 174.990 0.050 0.000 1.262 395 C CA 1.378 60.436 59.018 0.068 0.000 1.733 395 C CB -0.934 26.793 27.740 -0.023 0.000 2.010 395 C HN 0.762 nan 8.230 nan 0.000 0.483 396 K N -0.664 119.739 120.400 0.006 0.000 2.057 396 K HA -0.227 4.093 4.320 0.000 0.000 0.206 396 K C 2.077 178.735 176.600 0.098 0.000 1.050 396 K CA 1.720 58.020 56.287 0.023 0.000 0.935 396 K CB -0.394 32.111 32.500 0.009 0.000 0.715 396 K HN 0.706 nan 8.250 nan 0.000 0.439 397 W N 0.416 121.687 121.300 -0.048 0.000 2.388 397 W HA -0.231 4.429 4.660 0.000 0.000 0.294 397 W C 1.856 178.400 176.519 0.040 0.000 1.212 397 W CA 1.345 58.716 57.345 0.045 0.000 1.271 397 W CB -0.204 29.353 29.460 0.162 0.000 1.126 397 W HN 0.181 nan 8.180 nan 0.000 0.535 398 Y N 0.832 121.361 120.300 0.382 0.000 2.242 398 Y HA -0.133 4.418 4.550 0.000 0.000 0.291 398 Y C 2.399 178.142 175.900 -0.261 0.000 1.137 398 Y CA 2.401 60.559 58.100 0.097 0.000 1.181 398 Y CB -0.745 37.826 38.460 0.185 0.000 0.989 398 Y HN -0.008 nan 8.280 nan 0.000 0.527 399 A N 0.273 123.098 122.820 0.007 0.000 1.877 399 A HA -0.221 4.099 4.320 0.000 0.000 0.216 399 A C 1.882 179.316 177.584 -0.249 0.000 1.186 399 A CA 2.055 54.011 52.037 -0.136 0.000 0.620 399 A CB -0.881 18.067 19.000 -0.088 0.000 0.822 399 A HN 0.522 nan 8.150 nan 0.000 0.443 400 D N 0.096 120.350 120.400 -0.243 0.000 2.133 400 D HA -0.155 4.485 4.640 0.000 0.000 0.195 400 D C 1.870 177.913 176.300 -0.428 0.000 0.997 400 D CA 1.306 55.132 54.000 -0.290 0.000 0.840 400 D CB -0.216 40.429 40.800 -0.258 0.000 0.947 400 D HN 0.271 nan 8.370 nan 0.000 0.452 401 K N 0.522 120.506 120.400 -0.693 0.000 2.032 401 K HA -0.064 4.256 4.320 0.000 0.000 0.209 401 K C 2.449 178.588 176.600 -0.768 0.000 1.048 401 K CA 0.404 56.159 56.287 -0.886 0.000 0.927 401 K CB -0.730 30.817 32.500 -1.589 0.000 0.712 401 K HN 0.279 nan 8.250 nan 0.000 0.441 402 L N 0.900 121.634 121.223 -0.815 0.000 2.046 402 L HA -0.195 4.145 4.340 0.000 0.000 0.208 402 L C 2.455 179.229 176.870 -0.161 0.000 1.077 402 L CA 1.434 55.946 54.840 -0.548 0.000 0.747 402 L CB -0.410 41.277 42.059 -0.619 0.000 0.896 402 L HN 0.176 nan 8.230 nan 0.000 0.432 403 K N -0.023 120.268 120.400 -0.181 0.000 2.147 403 K HA -0.114 4.206 4.320 0.000 0.000 0.205 403 K C 2.108 178.667 176.600 -0.069 0.000 1.049 403 K CA 1.172 57.405 56.287 -0.089 0.000 0.936 403 K CB -0.402 32.034 32.500 -0.107 0.000 0.722 403 K HN 0.407 nan 8.250 nan 0.000 0.446 404 G N 0.962 109.696 108.800 -0.110 0.000 2.422 404 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 404 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 404 G C 1.419 176.322 174.900 0.005 0.000 1.140 404 G CA 0.460 45.522 45.100 -0.063 0.000 0.775 404 G HN 0.096 nan 8.290 nan 0.000 0.545 405 L N 0.065 121.313 121.223 0.042 0.000 2.095 405 L HA -0.009 4.332 4.340 0.000 0.000 0.204 405 L C 2.968 179.875 176.870 0.060 0.000 1.080 405 L CA 0.278 55.191 54.840 0.123 0.000 0.759 405 L CB -0.332 41.878 42.059 0.252 0.000 0.914 405 L HN 0.064 nan 8.230 nan 0.000 0.439 406 V N 0.197 120.151 119.914 0.067 0.000 2.343 406 V HA -0.301 3.819 4.120 0.000 0.000 0.247 406 V C 2.693 178.759 176.094 -0.046 0.000 1.051 406 V CA 1.805 64.095 62.300 -0.016 0.000 1.036 406 V CB -0.957 30.867 31.823 0.003 0.000 0.654 406 V HN 0.490 nan 8.190 nan 0.000 0.451 407 A N -1.268 121.532 122.820 -0.034 0.000 2.125 407 A HA -0.169 4.151 4.320 0.000 0.000 0.219 407 A C 2.173 179.725 177.584 -0.054 0.000 1.156 407 A CA 1.834 53.843 52.037 -0.045 0.000 0.671 407 A CB -0.499 18.477 19.000 -0.041 0.000 0.794 407 A HN 0.519 nan 8.150 nan 0.000 0.459 408 M N -2.040 117.530 119.600 -0.050 0.000 2.541 408 M HA 0.159 4.639 4.480 0.000 0.000 0.252 408 M C 1.245 177.483 176.300 -0.103 0.000 1.125 408 M CA 0.983 56.239 55.300 -0.075 0.000 1.091 408 M CB 0.456 33.024 32.600 -0.054 0.000 1.420 408 M HN 0.613 nan 8.290 nan 0.000 0.486 409 G N 0.101 108.841 108.800 -0.099 0.000 2.183 409 G HA2 -0.152 3.808 3.960 0.000 0.000 0.168 409 G HA3 -0.152 3.808 3.960 0.000 0.000 0.168 409 G C -0.097 174.713 174.900 -0.150 0.000 1.008 409 G CA -0.382 44.644 45.100 -0.124 0.000 0.677 409 G HN 0.227 nan 8.290 nan 0.000 0.498 410 V N 1.648 121.471 119.914 -0.151 0.000 2.637 410 V HA 0.249 4.369 4.120 0.000 0.000 0.296 410 V C 1.088 177.006 176.094 -0.294 0.000 1.046 410 V CA 0.697 62.864 62.300 -0.222 0.000 1.066 410 V CB 1.422 33.097 31.823 -0.245 0.000 0.968 410 V HN 0.317 nan 8.190 nan 0.000 0.483 411 D N 2.049 122.259 120.400 -0.317 0.000 2.324 411 D HA 0.113 4.753 4.640 0.000 0.000 0.212 411 D C 0.468 176.623 176.300 -0.243 0.000 0.984 411 D CA 0.960 54.792 54.000 -0.280 0.000 0.885 411 D CB 0.732 41.304 40.800 -0.380 0.000 0.996 411 D HN 0.754 nan 8.370 nan 0.000 0.505 412 C N -1.553 117.532 119.300 -0.359 0.000 3.314 412 C HA 0.769 5.229 4.460 0.000 0.000 0.344 412 C C -1.552 173.128 174.990 -0.516 0.000 1.461 412 C CA -1.311 57.532 59.018 -0.291 0.000 1.249 412 C CB 0.855 28.703 27.740 0.179 0.000 1.632 412 C HN 0.004 nan 8.230 nan 0.000 0.452 413 F N 0.645 120.690 119.950 0.159 0.000 2.569 413 F HA 0.570 5.097 4.527 0.000 0.000 0.312 413 F C -0.027 175.851 175.800 0.130 0.000 1.109 413 F CA -0.609 57.472 58.000 0.135 0.000 0.919 413 F CB 1.779 40.833 39.000 0.090 0.000 1.211 413 F HN 0.775 nan 8.300 nan 0.000 0.446 414 K N 2.240 122.823 120.400 0.306 0.000 2.263 414 K HA 0.255 4.575 4.320 0.000 0.000 0.282 414 K C -0.374 176.276 176.600 0.084 0.000 1.089 414 K CA -0.323 56.038 56.287 0.122 0.000 0.907 414 K CB 0.584 33.053 32.500 -0.052 0.000 1.148 414 K HN 0.719 nan 8.250 nan 0.000 0.470 415 T N 1.359 115.956 114.554 0.072 0.000 3.176 415 T HA 0.088 4.438 4.350 0.000 0.000 0.301 415 T C 0.019 174.779 174.700 0.101 0.000 1.115 415 T CA -0.885 61.213 62.100 -0.002 0.000 1.027 415 T CB 0.288 68.949 68.868 -0.345 0.000 1.063 415 T HN 0.441 nan 8.240 nan 0.000 0.669 416 D N 1.483 121.905 120.400 0.037 0.000 2.377 416 D HA 0.453 5.093 4.640 0.000 0.000 0.245 416 D C 0.693 177.111 176.300 0.197 0.000 1.196 416 D CA -0.704 53.367 54.000 0.119 0.000 0.962 416 D CB 0.178 41.047 40.800 0.116 0.000 1.127 416 D HN 0.465 nan 8.370 nan 0.000 0.471 417 F N -0.465 119.469 119.950 -0.027 0.000 2.182 417 F HA -0.196 4.331 4.527 0.000 0.000 0.318 417 F C 1.790 177.652 175.800 0.104 0.000 0.129 417 F CA 1.362 59.352 58.000 -0.018 0.000 0.911 417 F CB -1.434 37.465 39.000 -0.169 0.000 4.131 417 F HN 0.572 nan 8.300 nan 0.000 0.140 418 G N -0.995 108.003 108.800 0.331 0.000 2.179 418 G HA2 -0.201 3.759 3.960 0.000 0.000 0.220 418 G HA3 -0.201 3.759 3.960 0.000 0.000 0.220 418 G C 0.693 175.784 174.900 0.318 0.000 0.990 418 G CA 0.714 46.045 45.100 0.384 0.000 0.646 418 G HN 1.059 nan 8.290 nan 0.000 0.517 419 E N 0.704 121.076 120.200 0.286 0.000 2.127 419 E HA 0.080 4.430 4.350 0.000 0.000 0.191 419 E C 1.387 177.982 176.600 -0.009 0.000 0.964 419 E CA 0.056 56.519 56.400 0.105 0.000 0.832 419 E CB -0.216 29.585 29.700 0.168 0.000 0.790 419 E HN 0.458 nan 8.360 nan 0.000 0.465 420 R N 1.523 122.144 120.500 0.202 0.000 3.710 420 R HA 0.249 4.589 4.340 0.000 0.000 0.201 420 R C -0.415 175.834 176.300 -0.085 0.000 1.641 420 R CA -0.173 56.041 56.100 0.190 0.000 1.390 420 R CB 0.008 30.566 30.300 0.431 0.000 1.341 420 R HN 0.100 nan 8.270 nan 0.000 0.728 421 I N 4.330 124.787 120.570 -0.188 0.000 2.304 421 I HA 0.243 4.413 4.170 0.000 0.000 0.291 421 I C -1.720 174.333 176.117 -0.107 0.000 1.018 421 I CA -3.307 57.807 61.300 -0.310 0.000 1.260 421 I CB 0.934 38.723 38.000 -0.352 0.000 1.390 421 I HN 0.137 nan 8.210 nan 0.000 0.475 422 P HA 0.198 nan 4.420 nan 0.000 0.274 422 P C 0.456 177.676 177.300 -0.134 0.000 1.246 422 P CA -0.026 62.834 63.100 -0.400 0.000 0.795 422 P CB 0.924 31.966 31.700 -1.097 0.000 1.006 423 T N -4.454 110.111 114.554 0.018 0.000 2.971 423 T HA 0.027 4.377 4.350 0.000 0.000 0.252 423 T C 0.532 175.262 174.700 0.050 0.000 1.022 423 T CA -0.082 62.087 62.100 0.116 0.000 0.980 423 T CB -0.474 68.518 68.868 0.207 0.000 1.044 423 T HN 0.411 nan 8.240 nan 0.000 0.501 424 D N 3.086 123.497 120.400 0.018 0.000 2.845 424 D HA 0.328 4.968 4.640 0.000 0.000 0.235 424 D C 0.340 176.640 176.300 -0.001 0.000 1.158 424 D CA -0.406 53.620 54.000 0.044 0.000 0.990 424 D CB 0.194 41.056 40.800 0.104 0.000 1.094 424 D HN 0.500 nan 8.370 nan 0.000 0.486 425 V N -3.144 116.721 119.914 -0.083 0.000 3.232 425 V HA 0.543 4.663 4.120 0.000 0.000 0.303 425 V C -1.428 174.549 176.094 -0.195 0.000 1.311 425 V CA -1.180 60.999 62.300 -0.203 0.000 1.061 425 V CB 2.057 33.577 31.823 -0.505 0.000 1.085 425 V HN 0.179 nan 8.190 nan 0.000 0.447 426 Q N 0.765 120.427 119.800 -0.230 0.000 2.325 426 Q HA 0.469 4.809 4.340 0.000 0.000 0.270 426 Q C -1.774 174.107 176.000 -0.199 0.000 1.020 426 Q CA -0.524 55.197 55.803 -0.135 0.000 0.785 426 Q CB 1.697 30.408 28.738 -0.044 0.000 1.259 426 Q HN 0.802 nan 8.270 nan 0.000 0.452 427 W N 3.540 124.871 121.300 0.053 0.000 2.190 427 W HA 0.105 4.765 4.660 0.000 0.000 0.330 427 W C 1.140 177.741 176.519 0.137 0.000 1.299 427 W CA -0.431 56.976 57.345 0.102 0.000 1.215 427 W CB 0.318 29.846 29.460 0.114 0.000 1.147 427 W HN 0.763 nan 8.180 nan 0.000 0.563 428 F N 2.879 122.980 119.950 0.253 0.000 2.082 428 F HA -0.424 4.103 4.527 0.000 0.000 0.298 428 F C 2.252 178.159 175.800 0.179 0.000 1.091 428 F CA 2.576 60.685 58.000 0.181 0.000 1.230 428 F CB -0.076 39.029 39.000 0.176 0.000 0.983 428 F HN 0.426 nan 8.300 nan 0.000 0.485 429 D N -0.901 119.737 120.400 0.396 0.000 2.340 429 D HA 0.083 4.723 4.640 0.000 0.000 0.220 429 D C 1.720 178.099 176.300 0.133 0.000 1.039 429 D CA 0.872 55.009 54.000 0.228 0.000 0.866 429 D CB -0.653 40.313 40.800 0.276 0.000 0.913 429 D HN 0.502 nan 8.370 nan 0.000 0.523 430 G N 0.184 109.088 108.800 0.173 0.000 2.153 430 G HA2 -0.305 3.655 3.960 0.000 0.000 0.252 430 G HA3 -0.305 3.655 3.960 0.000 0.000 0.252 430 G C 0.345 175.339 174.900 0.157 0.000 0.994 430 G CA 0.369 45.555 45.100 0.143 0.000 0.698 430 G HN 0.440 nan 8.290 nan 0.000 0.521 431 S N 0.185 115.990 115.700 0.175 0.000 2.559 431 S HA 0.228 4.698 4.470 0.000 0.000 0.282 431 S C 0.558 175.239 174.600 0.135 0.000 1.336 431 S CA 0.201 58.446 58.200 0.075 0.000 1.037 431 S CB 0.806 63.955 63.200 -0.085 0.000 0.853 431 S HN 0.472 nan 8.310 nan 0.000 0.523 432 D N 1.883 122.320 120.400 0.062 0.000 2.412 432 D HA 0.106 4.746 4.640 0.000 0.000 0.257 432 D C -1.638 174.761 176.300 0.165 0.000 1.217 432 D CA -1.842 52.222 54.000 0.106 0.000 0.897 432 D CB 0.928 41.764 40.800 0.060 0.000 1.132 432 D HN 0.082 nan 8.370 nan 0.000 0.493 433 P HA -0.133 nan 4.420 nan 0.000 0.219 433 P C 1.191 178.690 177.300 0.330 0.000 1.146 433 P CA 0.913 64.261 63.100 0.413 0.000 0.808 433 P CB 0.309 32.212 31.700 0.338 0.000 0.779 434 Q N -0.311 119.647 119.800 0.265 0.000 2.172 434 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 434 Q C 1.859 178.060 176.000 0.335 0.000 0.964 434 Q CA 1.252 57.251 55.803 0.327 0.000 0.855 434 Q CB -0.321 28.545 28.738 0.214 0.000 0.918 434 Q HN 0.420 nan 8.270 nan 0.000 0.444 435 K N -0.440 120.073 120.400 0.188 0.000 2.186 435 K HA 0.080 4.400 4.320 0.000 0.000 0.202 435 K C 1.942 178.593 176.600 0.086 0.000 1.052 435 K CA 0.395 56.742 56.287 0.101 0.000 0.965 435 K CB 0.133 32.610 32.500 -0.037 0.000 0.746 435 K HN 0.091 nan 8.250 nan 0.000 0.457 436 M N 0.056 119.683 119.600 0.044 0.000 2.349 436 M HA -0.089 4.392 4.480 0.000 0.000 0.266 436 M C 1.886 178.221 176.300 0.059 0.000 1.076 436 M CA 1.430 56.683 55.300 -0.078 0.000 1.126 436 M CB -0.833 31.471 32.600 -0.493 0.000 1.392 436 M HN 0.212 nan 8.290 nan 0.000 0.440 437 H N 1.227 120.305 119.070 0.014 0.000 2.265 437 H HA -0.178 4.378 4.556 0.000 0.000 0.293 437 H C 1.761 177.003 175.328 -0.144 0.000 1.089 437 H CA 2.612 58.562 56.048 -0.163 0.000 1.244 437 H CB 0.182 29.595 29.762 -0.582 0.000 1.355 437 H HN 0.312 nan 8.280 nan 0.000 0.485 438 N N -0.959 117.731 118.700 -0.017 0.000 2.220 438 N HA -0.117 4.623 4.740 0.000 0.000 0.182 438 N C 1.881 177.513 175.510 0.202 0.000 1.023 438 N CA 1.210 54.301 53.050 0.068 0.000 0.856 438 N CB -0.672 37.956 38.487 0.235 0.000 0.997 438 N HN 0.478 nan 8.380 nan 0.000 0.429 439 H N -0.135 119.011 119.070 0.125 0.000 2.489 439 H HA -0.101 4.455 4.556 0.000 0.000 0.295 439 H C 1.724 177.158 175.328 0.177 0.000 1.082 439 H CA 1.176 57.315 56.048 0.151 0.000 1.295 439 H CB -0.287 29.507 29.762 0.052 0.000 1.380 439 H HN 0.257 nan 8.280 nan 0.000 0.548 440 Y N 0.269 120.575 120.300 0.010 0.000 2.151 440 Y HA -0.311 4.239 4.550 0.000 0.000 0.284 440 Y C 2.563 178.527 175.900 0.106 0.000 1.166 440 Y CA 1.880 59.979 58.100 -0.001 0.000 1.163 440 Y CB -0.747 37.709 38.460 -0.007 0.000 0.974 440 Y HN 0.307 nan 8.280 nan 0.000 0.511 441 A N -0.767 122.191 122.820 0.230 0.000 1.940 441 A HA -0.276 4.044 4.320 0.000 0.000 0.219 441 A C 2.127 179.772 177.584 0.101 0.000 1.176 441 A CA 1.834 54.007 52.037 0.227 0.000 0.631 441 A CB -1.507 17.623 19.000 0.216 0.000 0.814 441 A HN 0.742 nan 8.150 nan 0.000 0.446 442 Y N 0.278 120.534 120.300 -0.073 0.000 2.163 442 Y HA -0.152 4.398 4.550 0.000 0.000 0.288 442 Y C 2.047 177.799 175.900 -0.245 0.000 1.136 442 Y CA 1.545 59.574 58.100 -0.118 0.000 1.147 442 Y CB -0.085 38.238 38.460 -0.228 0.000 0.987 442 Y HN 0.218 nan 8.280 nan 0.000 0.509 443 I N 0.068 120.468 120.570 -0.283 0.000 2.179 443 I HA -0.331 3.839 4.170 0.000 0.000 0.242 443 I C 2.407 178.225 176.117 -0.499 0.000 1.088 443 I CA 1.729 62.812 61.300 -0.360 0.000 1.357 443 I CB -1.656 36.194 38.000 -0.251 0.000 1.051 443 I HN 0.435 nan 8.210 nan 0.000 0.409 444 Y N 2.069 121.988 120.300 -0.635 0.000 2.097 444 Y HA -0.279 4.271 4.550 0.000 0.000 0.282 444 Y C 2.529 178.081 175.900 -0.580 0.000 1.152 444 Y CA 1.697 59.369 58.100 -0.713 0.000 1.136 444 Y CB -0.109 38.101 38.460 -0.415 0.000 0.975 444 Y HN 0.201 nan 8.280 nan 0.000 0.498 445 N N 0.532 118.833 118.700 -0.666 0.000 2.270 445 N HA -0.196 4.544 4.740 0.000 0.000 0.181 445 N C 1.777 176.736 175.510 -0.917 0.000 1.016 445 N CA 1.404 54.008 53.050 -0.744 0.000 0.870 445 N CB -0.268 37.946 38.487 -0.455 0.000 0.979 445 N HN 0.629 nan 8.380 nan 0.000 0.431 446 E N 1.467 120.980 120.200 -1.145 0.000 2.106 446 E HA -0.127 4.223 4.350 0.000 0.000 0.192 446 E C 2.181 178.347 176.600 -0.724 0.000 0.984 446 E CA 0.414 55.970 56.400 -1.406 0.000 0.806 446 E CB -0.031 28.983 29.700 -1.144 0.000 0.750 446 E HN 0.279 nan 8.360 nan 0.000 0.458 447 L N 0.583 121.445 121.223 -0.601 0.000 2.027 447 L HA -0.142 4.198 4.340 0.000 0.000 0.206 447 L C 2.320 178.990 176.870 -0.332 0.000 1.074 447 L CA 1.121 55.687 54.840 -0.456 0.000 0.745 447 L CB -0.173 41.507 42.059 -0.631 0.000 0.898 447 L HN 0.074 nan 8.230 nan 0.000 0.433 448 V N -0.463 119.248 119.914 -0.338 0.000 2.343 448 V HA -0.321 3.799 4.120 0.000 0.000 0.247 448 V C 2.190 178.224 176.094 -0.099 0.000 1.051 448 V CA 2.231 64.412 62.300 -0.199 0.000 1.036 448 V CB -1.019 30.693 31.823 -0.186 0.000 0.654 448 V HN 0.730 nan 8.190 nan 0.000 0.451 449 W N 1.365 122.435 121.300 -0.385 0.000 2.338 449 W HA -0.213 4.447 4.660 0.000 0.000 0.304 449 W C 2.224 178.631 176.519 -0.187 0.000 1.212 449 W CA 1.967 59.137 57.345 -0.292 0.000 1.264 449 W CB -0.372 28.754 29.460 -0.556 0.000 1.142 449 W HN 0.330 nan 8.180 nan 0.000 0.512 450 N N 0.503 119.166 118.700 -0.062 0.000 2.309 450 N HA -0.140 4.600 4.740 0.000 0.000 0.182 450 N C 1.699 177.137 175.510 -0.121 0.000 1.018 450 N CA 1.412 54.416 53.050 -0.077 0.000 0.876 450 N CB -0.627 37.820 38.487 -0.067 0.000 0.972 450 N HN 0.049 nan 8.380 nan 0.000 0.434 451 V N 0.801 120.640 119.914 -0.125 0.000 2.270 451 V HA -0.164 3.956 4.120 0.000 0.000 0.245 451 V C 2.230 178.268 176.094 -0.093 0.000 1.043 451 V CA 0.985 63.228 62.300 -0.096 0.000 1.014 451 V CB -0.396 31.374 31.823 -0.087 0.000 0.645 451 V HN 0.150 nan 8.190 nan 0.000 0.447 452 L N 0.331 121.485 121.223 -0.116 0.000 1.971 452 L HA -0.230 4.110 4.340 0.000 0.000 0.215 452 L C 2.443 179.168 176.870 -0.242 0.000 1.072 452 L CA 2.310 57.047 54.840 -0.172 0.000 0.758 452 L CB -1.294 40.605 42.059 -0.267 0.000 0.889 452 L HN 0.386 nan 8.230 nan 0.000 0.433 453 K N -0.407 119.775 120.400 -0.363 0.000 2.059 453 K HA -0.240 4.080 4.320 0.000 0.000 0.212 453 K C 1.445 177.967 176.600 -0.131 0.000 1.050 453 K CA 2.100 58.231 56.287 -0.261 0.000 0.927 453 K CB -0.137 32.230 32.500 -0.221 0.000 0.714 453 K HN 0.293 nan 8.250 nan 0.000 0.447 454 D N -0.724 119.612 120.400 -0.106 0.000 2.363 454 D HA -0.051 4.589 4.640 0.000 0.000 0.220 454 D C 1.357 177.620 176.300 -0.062 0.000 0.994 454 D CA 1.377 55.337 54.000 -0.068 0.000 0.890 454 D CB 0.401 41.166 40.800 -0.059 0.000 0.906 454 D HN 0.572 nan 8.370 nan 0.000 0.530 455 T N -2.646 111.864 114.554 -0.073 0.000 3.447 455 T HA -0.003 4.347 4.350 0.000 0.000 0.218 455 T C 1.968 176.631 174.700 -0.062 0.000 0.972 455 T CA 0.568 62.632 62.100 -0.060 0.000 1.264 455 T CB -0.707 68.130 68.868 -0.052 0.000 1.284 455 T HN -0.052 nan 8.240 nan 0.000 0.361 456 V N 0.333 120.203 119.914 -0.072 0.000 3.141 456 V HA 0.507 4.627 4.120 0.000 0.000 0.265 456 V C 1.236 177.298 176.094 -0.053 0.000 1.126 456 V CA 0.357 62.620 62.300 -0.061 0.000 1.141 456 V CB -1.669 30.121 31.823 -0.056 0.000 0.743 456 V HN 1.378 nan 8.190 nan 0.000 0.492 457 G N 0.040 108.794 108.800 -0.076 0.000 2.788 457 G HA2 -0.172 3.789 3.960 0.000 0.000 0.686 457 G HA3 -0.172 3.789 3.960 0.000 0.000 0.686 457 G C 0.062 174.902 174.900 -0.101 0.000 1.147 457 G CA 0.174 45.235 45.100 -0.065 0.000 0.755 457 G HN 0.486 nan 8.290 nan 0.000 0.634 458 E N 0.484 120.632 120.200 -0.087 0.000 2.108 458 E HA -0.298 4.052 4.350 0.000 0.000 0.203 458 E C 2.151 178.718 176.600 -0.056 0.000 1.022 458 E CA 2.486 58.834 56.400 -0.087 0.000 0.823 458 E CB 0.022 29.739 29.700 0.028 0.000 0.744 458 E HN 0.721 nan 8.360 nan 0.000 0.456 459 E N 0.293 120.495 120.200 0.004 0.000 2.338 459 E HA -0.126 4.224 4.350 0.000 0.000 0.197 459 E C 1.370 177.993 176.600 0.038 0.000 1.007 459 E CA 0.841 57.267 56.400 0.044 0.000 0.849 459 E CB 0.047 29.785 29.700 0.063 0.000 0.774 459 E HN 0.272 nan 8.360 nan 0.000 0.506 460 E N 0.304 120.510 120.200 0.011 0.000 2.481 460 E HA 0.220 4.570 4.350 0.000 0.000 0.198 460 E C 0.078 176.672 176.600 -0.011 0.000 1.027 460 E CA 0.160 56.612 56.400 0.086 0.000 0.900 460 E CB 0.453 30.234 29.700 0.136 0.000 0.993 460 E HN 0.225 nan 8.360 nan 0.000 0.482 461 A N 1.508 124.186 122.820 -0.236 0.000 2.454 461 A HA 0.362 4.682 4.320 0.000 0.000 0.260 461 A C -0.014 177.369 177.584 -0.335 0.000 1.106 461 A CA -0.031 51.686 52.037 -0.533 0.000 0.780 461 A CB 0.581 18.755 19.000 -1.376 0.000 1.044 461 A HN 0.029 nan 8.150 nan 0.000 0.498 462 V N 4.089 123.936 119.914 -0.111 0.000 3.147 462 V HA 0.662 4.782 4.120 0.000 0.000 0.299 462 V C -1.153 175.056 176.094 0.191 0.000 1.302 462 V CA -0.603 61.755 62.300 0.096 0.000 1.015 462 V CB 1.999 33.791 31.823 -0.053 0.000 1.086 462 V HN 0.893 nan 8.190 nan 0.000 0.437 463 L N 3.716 125.054 121.223 0.192 0.000 2.257 463 L HA 0.669 5.010 4.340 0.000 0.000 0.257 463 L C -1.591 175.308 176.870 0.049 0.000 1.033 463 L CA -0.687 54.251 54.840 0.164 0.000 0.835 463 L CB 2.466 44.603 42.059 0.131 0.000 1.398 463 L HN 0.638 nan 8.230 nan 0.000 0.429 464 F N 1.099 120.967 119.950 -0.137 0.000 2.513 464 F HA 0.634 5.161 4.527 0.000 0.000 0.358 464 F C -0.036 175.741 175.800 -0.038 0.000 1.118 464 F CA -0.443 57.403 58.000 -0.257 0.000 1.037 464 F CB 1.516 40.209 39.000 -0.512 0.000 1.276 464 F HN 0.351 nan 8.300 nan 0.000 0.446 465 A N 5.012 127.841 122.820 0.016 0.000 2.318 465 A HA 0.571 4.891 4.320 0.000 0.000 0.324 465 A C 0.754 178.344 177.584 0.010 0.000 1.170 465 A CA -0.622 51.412 52.037 -0.004 0.000 0.810 465 A CB 1.252 20.046 19.000 -0.345 0.000 1.198 465 A HN 0.904 nan 8.150 nan 0.000 0.484 466 R N 1.022 121.443 120.500 -0.132 0.000 2.112 466 R HA 0.060 4.400 4.340 0.000 0.000 0.216 466 R C 0.697 176.786 176.300 -0.353 0.000 1.080 466 R CA 1.396 57.066 56.100 -0.716 0.000 0.996 466 R CB 0.090 29.827 30.300 -0.939 0.000 0.902 466 R HN 0.832 nan 8.270 nan 0.000 0.449 467 S N -1.122 114.537 115.700 -0.070 0.000 2.689 467 S HA 0.878 5.348 4.470 0.000 0.000 0.306 467 S C -0.676 174.011 174.600 0.145 0.000 1.104 467 S CA -0.517 57.720 58.200 0.062 0.000 0.973 467 S CB 2.382 65.659 63.200 0.129 0.000 1.121 467 S HN 0.239 nan 8.310 nan 0.000 0.523 468 A N 0.043 122.945 122.820 0.137 0.000 2.540 468 A HA 0.892 5.212 4.320 0.000 0.000 0.291 468 A C -0.590 177.107 177.584 0.190 0.000 1.083 468 A CA -0.373 51.785 52.037 0.200 0.000 0.650 468 A CB 0.915 20.005 19.000 0.149 0.000 1.292 468 A HN 1.581 nan 8.150 nan 0.000 0.435 469 S N -1.226 114.630 115.700 0.260 0.000 2.643 469 S HA 0.573 5.043 4.470 0.000 0.000 0.270 469 S C -0.974 173.724 174.600 0.163 0.000 1.166 469 S CA -0.099 58.244 58.200 0.239 0.000 0.815 469 S CB 1.140 64.522 63.200 0.304 0.000 1.139 469 S HN 1.669 nan 8.310 nan 0.000 0.472 470 V N 2.757 122.631 119.914 -0.068 0.000 2.681 470 V HA 0.366 4.486 4.120 0.000 0.000 0.306 470 V C 1.831 177.749 176.094 -0.293 0.000 1.077 470 V CA 2.082 64.173 62.300 -0.348 0.000 1.224 470 V CB -0.077 31.103 31.823 -1.072 0.000 0.879 470 V HN 1.658 nan 8.190 nan 0.000 0.494 471 G N 4.002 112.615 108.800 -0.311 0.000 2.234 471 G HA2 -0.187 3.773 3.960 0.000 0.000 0.235 471 G HA3 -0.187 3.773 3.960 0.000 0.000 0.235 471 G C 0.857 175.656 174.900 -0.169 0.000 0.997 471 G CA 0.246 45.176 45.100 -0.283 0.000 0.623 471 G HN 1.415 nan 8.290 nan 0.000 0.514 472 A N 0.915 123.727 122.820 -0.013 0.000 2.208 472 A HA 0.293 4.613 4.320 0.000 0.000 0.209 472 A C 2.172 179.614 177.584 -0.236 0.000 1.161 472 A CA 1.791 53.869 52.037 0.068 0.000 0.782 472 A CB -0.303 18.937 19.000 0.400 0.000 0.816 472 A HN 0.882 nan 8.150 nan 0.000 0.477 473 Q N 1.102 120.409 119.800 -0.822 0.000 2.297 473 Q HA -0.209 4.131 4.340 0.000 0.000 0.208 473 Q C 1.054 176.658 176.000 -0.660 0.000 0.981 473 Q CA 1.783 56.969 55.803 -1.028 0.000 0.876 473 Q CB -0.546 27.299 28.738 -1.487 0.000 0.921 473 Q HN 0.649 nan 8.270 nan 0.000 0.446 474 K N 0.086 119.938 120.400 -0.913 0.000 2.360 474 K HA -0.039 4.281 4.320 0.000 0.000 0.201 474 K C -0.172 175.564 176.600 -1.440 0.000 1.046 474 K CA 0.644 56.246 56.287 -1.141 0.000 0.945 474 K CB 0.006 31.656 32.500 -1.416 0.000 0.750 474 K HN 0.196 nan 8.250 nan 0.000 0.464 475 F N 1.802 121.329 119.950 -0.705 0.000 2.389 475 F HA 0.272 4.799 4.527 0.000 0.000 0.327 475 F C -2.182 173.350 175.800 -0.448 0.000 1.204 475 F CA -3.571 53.804 58.000 -1.042 0.000 1.209 475 F CB -0.011 38.543 39.000 -0.744 0.000 1.460 475 F HN -0.151 nan 8.300 nan 0.000 0.537 476 P HA 0.146 nan 4.420 nan 0.000 0.273 476 P C 0.181 177.374 177.300 -0.179 0.000 1.250 476 P CA 0.176 63.243 63.100 -0.055 0.000 0.793 476 P CB 2.062 33.735 31.700 -0.045 0.000 1.011 477 V N -0.214 119.541 119.914 -0.265 0.000 3.344 477 V HA -0.175 3.945 4.120 0.000 0.000 0.473 477 V C -1.879 173.855 176.094 -0.600 0.000 0.682 477 V CA 0.547 62.548 62.300 -0.498 0.000 2.007 477 V CB -2.364 28.899 31.823 -0.934 0.000 2.460 477 V HN 0.792 nan 8.190 nan 0.000 0.499 478 H N 5.823 124.751 119.070 -0.238 0.000 2.524 478 H HA 0.824 5.381 4.556 0.000 0.000 0.353 478 H C -0.098 175.078 175.328 -0.253 0.000 1.136 478 H CA 0.440 56.406 56.048 -0.138 0.000 1.193 478 H CB 1.497 31.265 29.762 0.010 0.000 1.558 478 H HN 1.094 nan 8.280 nan 0.000 0.515 479 W N 1.755 122.812 121.300 -0.405 0.000 2.781 479 W HA 0.553 5.213 4.660 0.000 0.000 0.345 479 W C 0.261 176.663 176.519 -0.195 0.000 1.085 479 W CA -1.339 55.694 57.345 -0.520 0.000 1.198 479 W CB 1.106 30.264 29.460 -0.503 0.000 1.423 479 W HN 0.649 nan 8.180 nan 0.000 0.532 480 G N 1.788 110.436 108.800 -0.254 0.000 2.990 480 G HA2 0.352 4.312 3.960 0.000 0.000 0.206 480 G HA3 0.352 4.312 3.960 0.000 0.000 0.206 480 G C 0.755 175.582 174.900 -0.120 0.000 1.169 480 G CA 0.496 45.694 45.100 0.163 0.000 0.819 480 G HN 1.602 nan 8.290 nan 0.000 0.517 481 G N 0.473 108.720 108.800 -0.922 0.000 2.562 481 G HA2 -0.250 3.710 3.960 0.000 0.000 0.250 481 G HA3 -0.250 3.710 3.960 0.000 0.000 0.250 481 G C -0.546 174.211 174.900 -0.238 0.000 1.269 481 G CA -0.114 44.477 45.100 -0.848 0.000 0.919 481 G HN 0.224 nan 8.290 nan 0.000 0.574 482 D N 1.629 121.890 120.400 -0.231 0.000 2.508 482 D HA 0.413 5.053 4.640 0.000 0.000 0.224 482 D C 1.304 177.632 176.300 0.046 0.000 1.171 482 D CA 0.557 54.389 54.000 -0.280 0.000 1.006 482 D CB -0.765 39.822 40.800 -0.355 0.000 1.073 482 D HN 0.862 nan 8.370 nan 0.000 0.513 483 C N 0.540 119.935 119.300 0.159 0.000 2.396 483 C HA 0.605 5.065 4.460 0.000 0.000 0.359 483 C C 0.343 175.493 174.990 0.267 0.000 1.307 483 C CA -0.953 58.233 59.018 0.279 0.000 2.392 483 C CB -0.089 27.907 27.740 0.427 0.000 2.245 483 C HN 0.402 nan 8.230 nan 0.000 0.615 484 Y N -0.689 119.806 120.300 0.325 0.000 2.496 484 Y HA 0.532 5.082 4.550 0.000 0.000 0.331 484 Y C 0.826 176.929 175.900 0.338 0.000 1.140 484 Y CA -0.325 57.940 58.100 0.276 0.000 1.166 484 Y CB 1.502 40.092 38.460 0.217 0.000 1.249 484 Y HN 0.909 nan 8.280 nan 0.000 0.479 485 A N 2.932 125.971 122.820 0.365 0.000 3.118 485 A HA 0.300 4.620 4.320 0.000 0.000 0.256 485 A C -0.756 177.011 177.584 0.305 0.000 1.667 485 A CA -0.164 52.052 52.037 0.299 0.000 1.338 485 A CB -1.750 17.329 19.000 0.132 0.000 1.127 485 A HN 0.761 nan 8.150 nan 0.000 0.634 486 N N -2.681 116.257 118.700 0.397 0.000 2.732 486 N HA 0.396 5.136 4.740 0.000 0.000 0.259 486 N C -0.118 175.523 175.510 0.218 0.000 1.402 486 N CA -0.803 52.361 53.050 0.190 0.000 0.829 486 N CB 0.323 38.922 38.487 0.186 0.000 1.495 486 N HN -0.086 nan 8.380 nan 0.000 0.511 487 Y N -0.187 120.277 120.300 0.273 0.000 2.242 487 Y HA 0.008 4.558 4.550 0.000 0.000 0.291 487 Y C 1.657 177.671 175.900 0.190 0.000 1.137 487 Y CA 1.240 59.501 58.100 0.268 0.000 1.181 487 Y CB -0.308 38.336 38.460 0.306 0.000 0.989 487 Y HN 0.667 nan 8.280 nan 0.000 0.527 488 E N -0.758 119.612 120.200 0.283 0.000 2.110 488 E HA -0.177 4.173 4.350 0.000 0.000 0.193 488 E C 2.464 179.154 176.600 0.150 0.000 0.988 488 E CA 1.524 58.016 56.400 0.153 0.000 0.804 488 E CB -0.373 29.403 29.700 0.126 0.000 0.745 488 E HN 0.182 nan 8.360 nan 0.000 0.458 489 S N -0.515 115.321 115.700 0.226 0.000 2.395 489 S HA -0.034 4.436 4.470 0.000 0.000 0.225 489 S C 1.876 176.632 174.600 0.260 0.000 1.027 489 S CA 0.802 59.174 58.200 0.287 0.000 0.965 489 S CB -0.140 63.320 63.200 0.434 0.000 0.812 489 S HN 0.282 nan 8.310 nan 0.000 0.482 490 M N 1.143 120.764 119.600 0.033 0.000 2.108 490 M HA -0.111 4.369 4.480 0.000 0.000 0.261 490 M C 2.031 178.390 176.300 0.098 0.000 1.066 490 M CA 1.865 56.905 55.300 -0.434 0.000 1.107 490 M CB -0.431 31.739 32.600 -0.717 0.000 1.356 490 M HN 0.439 nan 8.290 nan 0.000 0.406 491 A N 0.787 123.683 122.820 0.126 0.000 1.898 491 A HA -0.215 4.105 4.320 0.000 0.000 0.216 491 A C 1.951 179.550 177.584 0.024 0.000 1.181 491 A CA 1.784 53.755 52.037 -0.109 0.000 0.620 491 A CB -1.025 17.683 19.000 -0.487 0.000 0.819 491 A HN 0.789 nan 8.150 nan 0.000 0.442 492 E N -0.015 120.252 120.200 0.112 0.000 2.110 492 E HA -0.164 4.186 4.350 0.000 0.000 0.193 492 E C 1.931 178.765 176.600 0.391 0.000 0.988 492 E CA 1.607 58.138 56.400 0.217 0.000 0.804 492 E CB -0.467 29.363 29.700 0.215 0.000 0.745 492 E HN 0.420 nan 8.360 nan 0.000 0.458 493 S N 1.121 117.070 115.700 0.415 0.000 2.359 493 S HA -0.159 4.311 4.470 0.000 0.000 0.224 493 S C 1.869 176.788 174.600 0.532 0.000 1.035 493 S CA 1.320 59.896 58.200 0.626 0.000 1.018 493 S CB -0.422 63.177 63.200 0.665 0.000 0.876 493 S HN 0.295 nan 8.310 nan 0.000 0.448 494 L N 2.372 123.806 121.223 0.352 0.000 2.046 494 L HA -0.060 4.280 4.340 0.000 0.000 0.208 494 L C 2.179 178.995 176.870 -0.090 0.000 1.077 494 L CA 1.685 56.606 54.840 0.134 0.000 0.747 494 L CB -0.601 41.459 42.059 0.002 0.000 0.896 494 L HN 0.154 nan 8.230 nan 0.000 0.432 495 R N -0.514 119.975 120.500 -0.019 0.000 2.105 495 R HA -0.132 4.208 4.340 0.000 0.000 0.239 495 R C 2.193 178.365 176.300 -0.213 0.000 1.135 495 R CA 1.209 57.258 56.100 -0.085 0.000 0.967 495 R CB -1.084 29.201 30.300 -0.023 0.000 0.861 495 R HN 0.590 nan 8.270 nan 0.000 0.442 496 G N 0.383 109.082 108.800 -0.168 0.000 2.402 496 G HA2 -0.192 3.768 3.960 0.000 0.000 0.216 496 G HA3 -0.192 3.768 3.960 0.000 0.000 0.216 496 G C 1.501 175.967 174.900 -0.723 0.000 1.162 496 G CA 0.755 45.602 45.100 -0.421 0.000 0.777 496 G HN 0.451 nan 8.290 nan 0.000 0.539 497 G N 0.707 108.738 108.800 -1.282 0.000 2.403 497 G HA2 -0.056 3.904 3.960 0.000 0.000 0.216 497 G HA3 -0.056 3.904 3.960 0.000 0.000 0.216 497 G C 1.804 176.108 174.900 -0.994 0.000 1.154 497 G CA 0.533 44.291 45.100 -2.236 0.000 0.784 497 G HN 0.405 nan 8.290 nan 0.000 0.538 498 L N 0.883 121.732 121.223 -0.623 0.000 2.012 498 L HA -0.131 4.209 4.340 0.000 0.000 0.210 498 L C 3.149 179.829 176.870 -0.317 0.000 1.073 498 L CA 1.424 56.049 54.840 -0.358 0.000 0.748 498 L CB -0.458 41.473 42.059 -0.212 0.000 0.891 498 L HN 0.169 nan 8.230 nan 0.000 0.431 499 S N -0.335 115.161 115.700 -0.341 0.000 2.383 499 S HA -0.116 4.354 4.470 0.000 0.000 0.227 499 S C 1.942 176.374 174.600 -0.280 0.000 1.026 499 S CA 0.985 59.022 58.200 -0.270 0.000 0.981 499 S CB -0.176 62.839 63.200 -0.308 0.000 0.818 499 S HN 0.330 nan 8.310 nan 0.000 0.472 500 I N 1.353 121.686 120.570 -0.395 0.000 2.439 500 I HA -0.096 4.074 4.170 0.000 0.000 0.251 500 I C 2.209 178.243 176.117 -0.137 0.000 1.139 500 I CA 0.911 62.005 61.300 -0.343 0.000 1.438 500 I CB -0.492 37.215 38.000 -0.489 0.000 1.085 500 I HN 0.383 nan 8.210 nan 0.000 0.427 501 G N 0.700 109.392 108.800 -0.179 0.000 2.421 501 G HA2 -0.169 3.791 3.960 0.000 0.000 0.217 501 G HA3 -0.169 3.791 3.960 0.000 0.000 0.217 501 G C 1.578 176.426 174.900 -0.085 0.000 1.143 501 G CA 0.195 45.230 45.100 -0.108 0.000 0.784 501 G HN 0.367 nan 8.290 nan 0.000 0.541 502 L N 1.076 122.236 121.223 -0.104 0.000 2.465 502 L HA 0.047 4.387 4.340 0.000 0.000 0.224 502 L C 1.864 178.754 176.870 0.034 0.000 1.145 502 L CA 0.526 55.327 54.840 -0.065 0.000 0.834 502 L CB 0.215 42.218 42.059 -0.094 0.000 0.944 502 L HN 0.103 nan 8.230 nan 0.000 0.451 503 S N -0.621 115.095 115.700 0.027 0.000 2.575 503 S HA 0.336 4.807 4.470 0.000 0.000 0.237 503 S C 1.249 175.876 174.600 0.046 0.000 0.975 503 S CA 0.427 58.685 58.200 0.098 0.000 0.960 503 S CB 0.881 64.118 63.200 0.062 0.000 0.822 503 S HN 0.542 nan 8.310 nan 0.000 0.472 504 G N 1.181 109.969 108.800 -0.019 0.000 2.159 504 G HA2 -0.230 3.730 3.960 0.000 0.000 0.227 504 G HA3 -0.230 3.730 3.960 0.000 0.000 0.227 504 G C -0.149 174.651 174.900 -0.167 0.000 0.986 504 G CA -0.600 44.459 45.100 -0.067 0.000 0.651 504 G HN 0.470 nan 8.290 nan 0.000 0.523 505 F N 0.536 120.387 119.950 -0.166 0.000 2.436 505 F HA 0.568 5.095 4.527 0.000 0.000 0.340 505 F C 1.551 177.246 175.800 -0.175 0.000 1.113 505 F CA 0.042 57.942 58.000 -0.166 0.000 1.022 505 F CB 2.033 40.911 39.000 -0.202 0.000 1.128 505 F HN -0.001 nan 8.300 nan 0.000 0.466 506 G N 2.800 111.542 108.800 -0.097 0.000 2.539 506 G HA2 0.071 4.031 3.960 0.000 0.000 0.215 506 G HA3 0.071 4.031 3.960 0.000 0.000 0.215 506 G C -0.228 174.196 174.900 -0.793 0.000 1.141 506 G CA 0.364 45.151 45.100 -0.521 0.000 0.806 506 G HN 0.368 nan 8.290 nan 0.000 0.533 507 F N -1.866 118.171 119.950 0.146 0.000 2.556 507 F HA 0.637 5.164 4.527 0.000 0.000 0.314 507 F C -1.131 174.789 175.800 0.200 0.000 1.106 507 F CA -1.470 56.617 58.000 0.146 0.000 0.911 507 F CB 2.091 41.084 39.000 -0.011 0.000 1.190 507 F HN 0.027 nan 8.300 nan 0.000 0.448 508 W N 2.815 124.187 121.300 0.120 0.000 3.326 508 W HA 0.635 5.295 4.660 0.000 0.000 0.333 508 W C -1.222 175.312 176.519 0.026 0.000 1.108 508 W CA -0.535 56.833 57.345 0.038 0.000 1.245 508 W CB 1.894 31.383 29.460 0.048 0.000 1.331 508 W HN 0.506 nan 8.180 nan 0.000 0.464 509 S N 2.534 117.795 115.700 -0.732 0.000 2.786 509 S HA 0.867 5.337 4.470 0.000 0.000 0.307 509 S C -1.156 172.799 174.600 -1.076 0.000 1.121 509 S CA -0.219 57.518 58.200 -0.772 0.000 0.975 509 S CB 0.928 63.753 63.200 -0.625 0.000 1.220 509 S HN 0.672 nan 8.310 nan 0.000 0.550 510 H N -1.314 117.404 119.070 -0.587 0.000 2.987 510 H HA 0.449 5.005 4.556 0.000 0.000 0.316 510 H C -2.151 173.138 175.328 -0.064 0.000 1.380 510 H CA -0.969 54.898 56.048 -0.302 0.000 1.160 510 H CB -0.174 29.372 29.762 -0.360 0.000 1.865 510 H HN 0.265 nan 8.280 nan 0.000 0.521 511 D N 1.525 122.010 120.400 0.142 0.000 2.338 511 D HA 0.188 4.828 4.640 0.000 0.000 0.255 511 D C 0.160 176.209 176.300 -0.419 0.000 1.237 511 D CA -0.035 53.935 54.000 -0.050 0.000 0.883 511 D CB 0.462 41.331 40.800 0.114 0.000 1.087 511 D HN 0.409 nan 8.370 nan 0.000 0.485 512 I N 1.678 121.987 120.570 -0.434 0.000 2.668 512 I HA 0.100 4.270 4.170 0.000 0.000 0.285 512 I C 1.684 177.324 176.117 -0.794 0.000 1.168 512 I CA 0.571 61.467 61.300 -0.672 0.000 1.424 512 I CB 0.471 38.264 38.000 -0.345 0.000 1.377 512 I HN 0.657 nan 8.210 nan 0.000 0.560 513 G N 3.863 111.903 108.800 -1.267 0.000 2.176 513 G HA2 -0.042 3.918 3.960 0.000 0.000 0.253 513 G HA3 -0.042 3.918 3.960 0.000 0.000 0.253 513 G C 0.593 175.057 174.900 -0.726 0.000 0.979 513 G CA -0.030 44.713 45.100 -0.595 0.000 0.641 513 G HN 1.600 nan 8.290 nan 0.000 0.530 514 G N -2.038 105.969 108.800 -1.321 0.000 2.730 514 G HA2 0.173 4.133 3.960 0.000 0.000 0.686 514 G HA3 0.173 4.133 3.960 0.000 0.000 0.686 514 G C 0.172 174.942 174.900 -0.217 0.000 1.343 514 G CA 0.188 44.873 45.100 -0.691 0.000 0.826 514 G HN 1.493 nan 8.290 nan 0.000 0.582 515 F N 0.748 120.583 119.950 -0.191 0.000 2.204 515 F HA 0.398 4.925 4.527 0.000 0.000 0.276 515 F C 1.381 177.085 175.800 -0.160 0.000 1.085 515 F CA 1.141 59.055 58.000 -0.143 0.000 1.160 515 F CB 0.113 39.093 39.000 -0.032 0.000 1.091 515 F HN 0.468 nan 8.300 nan 0.000 0.522 516 E N 2.450 122.510 120.200 -0.233 0.000 2.289 516 E HA 0.190 4.541 4.350 0.000 0.000 0.278 516 E C -0.776 175.692 176.600 -0.221 0.000 1.032 516 E CA 0.017 56.160 56.400 -0.428 0.000 0.854 516 E CB 0.505 29.725 29.700 -0.800 0.000 1.046 516 E HN 0.519 nan 8.360 nan 0.000 0.409 517 N N 0.419 119.050 118.700 -0.116 0.000 5.702 517 N HA -0.118 4.622 4.740 0.000 0.000 0.387 517 N C -1.190 174.311 175.510 -0.016 0.000 1.421 517 N CA 0.268 53.326 53.050 0.013 0.000 2.374 517 N CB -0.219 38.370 38.487 0.171 0.000 0.610 517 N HN 0.332 nan 8.380 nan 0.000 0.619 518 T N 1.045 115.605 114.554 0.010 0.000 2.767 518 T HA 0.575 4.925 4.350 0.000 0.000 0.284 518 T C 0.197 174.957 174.700 0.100 0.000 0.973 518 T CA -0.219 61.899 62.100 0.030 0.000 0.996 518 T CB 1.226 70.068 68.868 -0.043 0.000 0.927 518 T HN 0.596 nan 8.240 nan 0.000 0.456 519 A N 6.088 129.015 122.820 0.180 0.000 2.425 519 A HA 0.551 4.871 4.320 0.000 0.000 0.249 519 A C -1.972 175.672 177.584 0.100 0.000 1.084 519 A CA -1.275 50.827 52.037 0.109 0.000 0.781 519 A CB -0.273 18.768 19.000 0.070 0.000 1.019 519 A HN 0.530 nan 8.150 nan 0.000 0.490 520 P HA 0.138 nan 4.420 nan 0.000 0.269 520 P C 0.849 178.078 177.300 -0.118 0.000 1.215 520 P CA 0.524 63.579 63.100 -0.075 0.000 0.780 520 P CB 0.746 32.334 31.700 -0.187 0.000 0.898 521 A N 2.724 125.557 122.820 0.021 0.000 1.948 521 A HA -0.267 4.053 4.320 0.000 0.000 0.220 521 A C 2.026 179.562 177.584 -0.080 0.000 1.177 521 A CA 2.382 54.423 52.037 0.006 0.000 0.636 521 A CB -1.977 17.056 19.000 0.055 0.000 0.815 521 A HN 0.836 nan 8.150 nan 0.000 0.449 522 H N -1.713 117.348 119.070 -0.015 0.000 2.353 522 H HA -0.026 4.530 4.556 0.000 0.000 0.300 522 H C 1.611 177.075 175.328 0.226 0.000 1.090 522 H CA 1.456 57.525 56.048 0.034 0.000 1.327 522 H CB -0.859 29.113 29.762 0.350 0.000 1.383 522 H HN 0.123 nan 8.280 nan 0.000 0.508 523 V N 0.633 120.422 119.914 -0.208 0.000 2.307 523 V HA -0.281 3.839 4.120 0.000 0.000 0.245 523 V C 2.345 178.508 176.094 0.116 0.000 1.045 523 V CA 2.036 64.233 62.300 -0.171 0.000 1.024 523 V CB -0.940 30.586 31.823 -0.495 0.000 0.651 523 V HN 0.481 nan 8.190 nan 0.000 0.449 524 Y N 1.242 121.448 120.300 -0.157 0.000 2.165 524 Y HA -0.303 4.247 4.550 0.000 0.000 0.286 524 Y C 2.492 178.354 175.900 -0.062 0.000 1.155 524 Y CA 2.148 60.099 58.100 -0.249 0.000 1.164 524 Y CB -0.157 37.790 38.460 -0.854 0.000 0.978 524 Y HN 0.140 nan 8.280 nan 0.000 0.513 525 K N -0.204 120.212 120.400 0.026 0.000 2.002 525 K HA -0.157 4.163 4.320 0.000 0.000 0.209 525 K C 2.141 178.844 176.600 0.172 0.000 1.048 525 K CA 1.501 57.819 56.287 0.051 0.000 0.930 525 K CB -0.118 32.324 32.500 -0.097 0.000 0.714 525 K HN 0.082 nan 8.250 nan 0.000 0.438 526 R N 0.019 120.709 120.500 0.316 0.000 2.083 526 R HA -0.171 4.169 4.340 0.000 0.000 0.237 526 R C 2.014 178.432 176.300 0.197 0.000 1.137 526 R CA 1.201 57.473 56.100 0.287 0.000 0.951 526 R CB -0.936 29.620 30.300 0.427 0.000 0.851 526 R HN 0.450 nan 8.270 nan 0.000 0.434 527 W N 1.006 122.346 121.300 0.066 0.000 2.363 527 W HA -0.182 4.479 4.660 0.000 0.000 0.296 527 W C 2.173 178.655 176.519 -0.062 0.000 1.212 527 W CA 0.443 57.829 57.345 0.069 0.000 1.260 527 W CB -0.669 28.799 29.460 0.015 0.000 1.131 527 W HN 0.079 nan 8.180 nan 0.000 0.530 528 C N 0.153 119.467 119.300 0.024 0.000 2.413 528 C HA -0.179 4.281 4.460 0.000 0.000 0.277 528 C C 3.090 178.032 174.990 -0.080 0.000 1.228 528 C CA 1.909 60.871 59.018 -0.092 0.000 1.731 528 C CB -1.540 26.094 27.740 -0.176 0.000 2.042 528 C HN 0.381 nan 8.230 nan 0.000 0.468 529 A N 0.429 123.091 122.820 -0.263 0.000 1.873 529 A HA -0.250 4.070 4.320 0.000 0.000 0.218 529 A C 1.993 179.485 177.584 -0.154 0.000 1.193 529 A CA 2.142 53.734 52.037 -0.742 0.000 0.629 529 A CB -0.978 17.507 19.000 -0.858 0.000 0.826 529 A HN 0.544 nan 8.150 nan 0.000 0.447 530 F N 1.390 121.289 119.950 -0.085 0.000 2.095 530 F HA -0.059 4.468 4.527 0.000 0.000 0.298 530 F C 2.274 178.259 175.800 0.309 0.000 1.104 530 F CA 1.453 59.522 58.000 0.115 0.000 1.232 530 F CB -1.170 37.844 39.000 0.023 0.000 0.987 530 F HN 0.170 nan 8.300 nan 0.000 0.475 531 G N 1.153 110.038 108.800 0.142 0.000 2.446 531 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 531 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 531 G C 1.628 176.536 174.900 0.013 0.000 1.168 531 G CA 0.778 45.846 45.100 -0.054 0.000 0.771 531 G HN 0.370 nan 8.290 nan 0.000 0.551 532 L N 0.083 121.356 121.223 0.083 0.000 2.465 532 L HA 0.248 4.588 4.340 0.000 0.000 0.224 532 L C 1.911 178.911 176.870 0.217 0.000 1.145 532 L CA 0.852 55.782 54.840 0.150 0.000 0.834 532 L CB -0.541 41.643 42.059 0.209 0.000 0.944 532 L HN 0.223 nan 8.230 nan 0.000 0.451 533 L N -1.072 120.310 121.223 0.265 0.000 2.912 533 L HA 0.157 4.497 4.340 0.000 0.000 0.240 533 L C 0.371 177.536 176.870 0.492 0.000 1.262 533 L CA -0.111 54.946 54.840 0.362 0.000 1.058 533 L CB 0.097 42.368 42.059 0.353 0.000 1.383 533 L HN 0.032 nan 8.230 nan 0.000 0.512 534 S N -1.583 114.334 115.700 0.361 0.000 2.689 534 S HA 0.226 4.696 4.470 0.000 0.000 0.306 534 S C 1.150 175.899 174.600 0.248 0.000 1.104 534 S CA -0.225 58.178 58.200 0.338 0.000 0.973 534 S CB 1.966 65.332 63.200 0.276 0.000 1.121 534 S HN 0.348 nan 8.310 nan 0.000 0.523 535 S N 0.645 116.509 115.700 0.273 0.000 2.368 535 S HA -0.114 4.356 4.470 0.000 0.000 0.225 535 S C 0.147 174.690 174.600 -0.096 0.000 1.030 535 S CA 1.200 59.560 58.200 0.268 0.000 0.999 535 S CB -0.495 62.997 63.200 0.488 0.000 0.844 535 S HN 0.757 nan 8.310 nan 0.000 0.459 536 H N 0.252 119.296 119.070 -0.044 0.000 2.600 536 H HA 0.694 5.250 4.556 0.000 0.000 0.357 536 H C -1.109 174.075 175.328 -0.240 0.000 1.106 536 H CA -0.443 55.483 56.048 -0.203 0.000 1.193 536 H CB 2.057 31.572 29.762 -0.412 0.000 1.594 536 H HN 0.158 nan 8.280 nan 0.000 0.526 537 S N 3.069 118.718 115.700 -0.085 0.000 2.659 537 S HA 0.508 4.978 4.470 0.000 0.000 0.312 537 S C -0.531 174.030 174.600 -0.064 0.000 1.114 537 S CA -0.947 57.194 58.200 -0.100 0.000 1.063 537 S CB 1.341 64.561 63.200 0.035 0.000 0.996 537 S HN 0.600 nan 8.310 nan 0.000 0.478 538 R N 3.133 123.524 120.500 -0.180 0.000 2.538 538 R HA 0.456 4.796 4.340 0.000 0.000 0.292 538 R C -1.660 174.558 176.300 -0.137 0.000 1.008 538 R CA -0.682 55.330 56.100 -0.147 0.000 0.896 538 R CB 0.813 30.883 30.300 -0.384 0.000 1.187 538 R HN 0.620 nan 8.270 nan 0.000 0.440 539 L N 4.891 126.083 121.223 -0.051 0.000 2.325 539 L HA 0.314 4.654 4.340 0.000 0.000 0.284 539 L C -0.472 176.407 176.870 0.016 0.000 1.089 539 L CA -0.087 54.734 54.840 -0.032 0.000 0.836 539 L CB 0.394 42.462 42.059 0.016 0.000 1.184 539 L HN 0.630 nan 8.230 nan 0.000 0.444 540 H N 2.432 121.439 119.070 -0.106 0.000 3.038 540 H HA 0.732 5.288 4.556 0.000 0.000 0.362 540 H C -0.700 174.640 175.328 0.019 0.000 1.167 540 H CA -0.358 55.658 56.048 -0.053 0.000 1.197 540 H CB 1.972 31.657 29.762 -0.128 0.000 1.840 540 H HN 0.534 nan 8.280 nan 0.000 0.540 541 G N 1.176 109.608 108.800 -0.613 0.000 2.694 541 G HA2 0.374 4.334 3.960 0.000 0.000 0.290 541 G HA3 0.374 4.334 3.960 0.000 0.000 0.290 541 G C -0.280 174.176 174.900 -0.740 0.000 1.386 541 G CA -0.022 44.774 45.100 -0.505 0.000 0.872 541 G HN 0.619 nan 8.290 nan 0.000 0.475 542 S N -0.806 114.359 115.700 -0.891 0.000 2.324 542 S HA 0.094 4.564 4.470 0.000 0.000 0.210 542 S C 1.715 176.126 174.600 -0.315 0.000 1.027 542 S CA 1.155 58.838 58.200 -0.861 0.000 0.945 542 S CB -0.176 62.322 63.200 -1.170 0.000 0.908 542 S HN 0.454 nan 8.310 nan 0.000 0.496 543 K N 0.658 120.868 120.400 -0.317 0.000 2.374 543 K HA 0.252 4.572 4.320 0.000 0.000 0.202 543 K C -0.184 176.232 176.600 -0.308 0.000 1.040 543 K CA -0.026 56.108 56.287 -0.256 0.000 1.085 543 K CB 1.056 33.442 32.500 -0.190 0.000 0.873 543 K HN 0.432 nan 8.250 nan 0.000 0.539 544 S N -0.747 114.753 115.700 -0.333 0.000 2.627 544 S HA 0.471 4.941 4.470 0.000 0.000 0.283 544 S C -0.820 173.572 174.600 -0.347 0.000 1.127 544 S CA -0.982 56.988 58.200 -0.383 0.000 0.863 544 S CB 0.710 63.742 63.200 -0.280 0.000 1.121 544 S HN -0.019 nan 8.310 nan 0.000 0.479 545 Y N 0.658 120.869 120.300 -0.148 0.000 2.300 545 Y HA 0.520 5.070 4.550 0.000 0.000 0.328 545 Y C 1.722 177.476 175.900 -0.243 0.000 1.270 545 Y CA -0.964 57.045 58.100 -0.153 0.000 1.352 545 Y CB 0.646 39.014 38.460 -0.153 0.000 1.286 545 Y HN 0.551 nan 8.280 nan 0.000 0.536 546 R N 0.870 121.358 120.500 -0.020 0.000 2.432 546 R HA 0.153 4.493 4.340 0.000 0.000 0.260 546 R C -0.594 175.650 176.300 -0.095 0.000 0.935 546 R CA -0.121 56.007 56.100 0.048 0.000 1.080 546 R CB -0.473 29.879 30.300 0.087 0.000 1.155 546 R HN 0.542 nan 8.270 nan 0.000 0.531 547 V N 0.443 120.043 119.914 -0.523 0.000 2.617 547 V HA 0.073 4.193 4.120 0.000 0.000 0.304 547 V C -1.375 174.304 176.094 -0.692 0.000 1.040 547 V CA -1.123 60.603 62.300 -0.955 0.000 1.149 547 V CB 0.596 31.139 31.823 -2.133 0.000 0.914 547 V HN -0.052 nan 8.190 nan 0.000 0.487 548 P HA -0.137 nan 4.420 nan 0.000 0.216 548 P C 1.316 178.623 177.300 0.013 0.000 1.150 548 P CA 2.227 65.353 63.100 0.042 0.000 0.843 548 P CB -0.195 31.661 31.700 0.260 0.000 0.787 549 W N -0.369 120.928 121.300 -0.004 0.000 2.825 549 W HA 0.351 5.011 4.660 0.000 0.000 0.243 549 W C 1.665 178.126 176.519 -0.097 0.000 1.293 549 W CA 0.505 57.830 57.345 -0.033 0.000 1.403 549 W CB -1.646 27.791 29.460 -0.037 0.000 1.134 549 W HN -0.122 nan 8.180 nan 0.000 0.666 550 A N -0.325 122.238 122.820 -0.428 0.000 2.119 550 A HA 0.024 4.344 4.320 0.000 0.000 0.216 550 A C 1.306 178.574 177.584 -0.528 0.000 1.152 550 A CA 0.942 52.704 52.037 -0.459 0.000 0.708 550 A CB -0.658 17.955 19.000 -0.646 0.000 0.805 550 A HN 0.486 nan 8.150 nan 0.000 0.460 551 Y N 0.204 120.334 120.300 -0.283 0.000 2.331 551 Y HA 0.289 4.839 4.550 0.000 0.000 0.282 551 Y C 0.678 176.520 175.900 -0.097 0.000 1.140 551 Y CA 0.382 58.333 58.100 -0.248 0.000 1.198 551 Y CB 0.234 38.423 38.460 -0.451 0.000 1.159 551 Y HN 0.496 nan 8.280 nan 0.000 0.512 552 D N -2.461 118.018 120.400 0.131 0.000 2.738 552 D HA 0.099 4.739 4.640 0.000 0.000 0.308 552 D C -0.696 175.688 176.300 0.140 0.000 1.311 552 D CA -0.479 53.590 54.000 0.114 0.000 0.799 552 D CB 0.337 41.192 40.800 0.092 0.000 1.332 552 D HN -0.022 nan 8.370 nan 0.000 0.441 553 D N -0.282 120.192 120.400 0.123 0.000 2.117 553 D HA -0.086 4.554 4.640 0.000 0.000 0.198 553 D C 1.513 177.894 176.300 0.135 0.000 0.982 553 D CA 1.342 55.419 54.000 0.129 0.000 0.828 553 D CB 0.145 41.004 40.800 0.098 0.000 0.967 553 D HN 0.599 nan 8.370 nan 0.000 0.464 554 E N 0.422 120.694 120.200 0.120 0.000 2.130 554 E HA -0.225 4.125 4.350 0.000 0.000 0.196 554 E C 1.751 178.441 176.600 0.149 0.000 0.998 554 E CA 1.209 57.684 56.400 0.126 0.000 0.806 554 E CB 0.075 29.839 29.700 0.108 0.000 0.738 554 E HN 0.084 nan 8.360 nan 0.000 0.459 555 S N -0.230 115.563 115.700 0.155 0.000 2.370 555 S HA -0.211 4.259 4.470 0.000 0.000 0.226 555 S C 2.076 176.842 174.600 0.277 0.000 1.033 555 S CA 1.257 59.600 58.200 0.239 0.000 1.011 555 S CB -0.373 62.977 63.200 0.249 0.000 0.852 555 S HN 0.492 nan 8.310 nan 0.000 0.457 556 C N 1.817 121.265 119.300 0.247 0.000 2.425 556 C HA -0.056 4.404 4.460 0.000 0.000 0.277 556 C C 2.394 177.512 174.990 0.213 0.000 1.280 556 C CA 0.163 59.330 59.018 0.248 0.000 1.744 556 C CB -1.248 26.636 27.740 0.240 0.000 1.989 556 C HN 0.554 nan 8.230 nan 0.000 0.491 557 D N 0.876 121.389 120.400 0.188 0.000 2.117 557 D HA -0.090 4.550 4.640 0.000 0.000 0.198 557 D C 2.234 178.662 176.300 0.213 0.000 0.982 557 D CA 1.094 55.196 54.000 0.170 0.000 0.828 557 D CB -0.427 40.453 40.800 0.134 0.000 0.967 557 D HN 0.300 nan 8.370 nan 0.000 0.464 558 V N 1.070 121.133 119.914 0.248 0.000 2.255 558 V HA -0.224 3.896 4.120 0.000 0.000 0.247 558 V C 2.744 179.090 176.094 0.419 0.000 1.051 558 V CA 1.163 63.677 62.300 0.358 0.000 1.018 558 V CB -0.568 31.461 31.823 0.344 0.000 0.641 558 V HN 0.041 nan 8.190 nan 0.000 0.445 559 V N -0.260 119.840 119.914 0.310 0.000 2.287 559 V HA -0.301 3.819 4.120 0.000 0.000 0.248 559 V C 2.571 178.818 176.094 0.256 0.000 1.053 559 V CA 2.516 64.980 62.300 0.273 0.000 1.027 559 V CB -0.761 31.199 31.823 0.227 0.000 0.646 559 V HN 0.475 nan 8.190 nan 0.000 0.447 560 R N -0.898 119.733 120.500 0.218 0.000 2.073 560 R HA -0.208 4.132 4.340 0.000 0.000 0.234 560 R C 2.270 178.635 176.300 0.110 0.000 1.134 560 R CA 2.170 58.363 56.100 0.156 0.000 0.952 560 R CB -0.467 29.914 30.300 0.135 0.000 0.850 560 R HN 0.475 nan 8.270 nan 0.000 0.433 561 F N 0.218 120.132 119.950 -0.059 0.000 2.065 561 F HA -0.260 4.267 4.527 0.000 0.000 0.298 561 F C 1.620 177.203 175.800 -0.361 0.000 1.112 561 F CA 1.849 59.677 58.000 -0.287 0.000 1.212 561 F CB -0.304 38.427 39.000 -0.448 0.000 0.975 561 F HN -0.007 nan 8.300 nan 0.000 0.476 562 F N -0.204 119.832 119.950 0.143 0.000 2.367 562 F HA -0.084 4.443 4.527 0.000 0.000 0.298 562 F C 2.408 178.219 175.800 0.018 0.000 1.094 562 F CA 1.388 59.414 58.000 0.043 0.000 1.409 562 F CB -1.245 37.857 39.000 0.170 0.000 1.064 562 F HN -0.118 nan 8.300 nan 0.000 0.528 563 T N -0.601 114.071 114.554 0.197 0.000 2.701 563 T HA -0.197 4.153 4.350 0.000 0.000 0.263 563 T C 1.922 176.680 174.700 0.098 0.000 1.040 563 T CA 1.344 63.550 62.100 0.176 0.000 1.147 563 T CB -0.362 68.625 68.868 0.198 0.000 0.865 563 T HN 0.257 nan 8.240 nan 0.000 0.426 564 Q N 0.329 120.131 119.800 0.002 0.000 2.077 564 Q HA -0.128 4.212 4.340 0.000 0.000 0.206 564 Q C 2.373 178.298 176.000 -0.125 0.000 0.989 564 Q CA 1.381 57.142 55.803 -0.070 0.000 0.853 564 Q CB -0.465 28.179 28.738 -0.157 0.000 0.907 564 Q HN 0.308 nan 8.270 nan 0.000 0.418 565 L N 1.338 122.399 121.223 -0.269 0.000 2.013 565 L HA -0.244 4.096 4.340 0.000 0.000 0.212 565 L C 2.178 179.024 176.870 -0.041 0.000 1.073 565 L CA 1.974 56.654 54.840 -0.267 0.000 0.753 565 L CB -0.443 41.348 42.059 -0.446 0.000 0.890 565 L HN 0.059 nan 8.230 nan 0.000 0.432 566 K N -1.248 119.183 120.400 0.051 0.000 2.057 566 K HA -0.175 4.145 4.320 0.000 0.000 0.207 566 K C 2.105 178.778 176.600 0.121 0.000 1.049 566 K CA 1.734 58.095 56.287 0.124 0.000 0.931 566 K CB -0.314 32.290 32.500 0.173 0.000 0.714 566 K HN 0.545 nan 8.250 nan 0.000 0.440 567 C N 0.725 120.098 119.300 0.122 0.000 2.429 567 C HA -0.021 4.439 4.460 0.000 0.000 0.277 567 C C 2.567 177.703 174.990 0.243 0.000 1.262 567 C CA 0.523 59.656 59.018 0.192 0.000 1.733 567 C CB -0.891 26.953 27.740 0.172 0.000 2.010 567 C HN 0.494 nan 8.230 nan 0.000 0.483 568 R N 0.495 121.067 120.500 0.120 0.000 2.120 568 R HA -0.066 4.274 4.340 0.000 0.000 0.234 568 R C 1.967 178.336 176.300 0.116 0.000 1.123 568 R CA 1.212 57.381 56.100 0.115 0.000 0.975 568 R CB -0.339 29.963 30.300 0.003 0.000 0.866 568 R HN 0.598 nan 8.270 nan 0.000 0.446 569 M N -0.149 119.503 119.600 0.087 0.000 2.595 569 M HA -0.002 4.478 4.480 0.000 0.000 0.248 569 M C 1.751 178.066 176.300 0.025 0.000 1.119 569 M CA 0.492 55.848 55.300 0.094 0.000 1.079 569 M CB -0.006 32.684 32.600 0.151 0.000 1.472 569 M HN 0.037 nan 8.290 nan 0.000 0.501 570 M N 0.434 119.996 119.600 -0.063 0.000 2.108 570 M HA -0.135 4.345 4.480 0.000 0.000 0.257 570 M C -0.642 175.187 176.300 -0.786 0.000 1.071 570 M CA 2.039 57.112 55.300 -0.378 0.000 1.093 570 M CB -2.294 30.109 32.600 -0.329 0.000 1.345 570 M HN 0.016 nan 8.290 nan 0.000 0.403 571 P HA -0.175 nan 4.420 nan 0.000 0.218 571 P C 1.514 178.648 177.300 -0.277 0.000 1.149 571 P CA 1.170 63.899 63.100 -0.618 0.000 0.817 571 P CB -0.335 31.238 31.700 -0.212 0.000 0.785 572 Y N 0.250 120.406 120.300 -0.240 0.000 2.109 572 Y HA -0.146 4.404 4.550 0.000 0.000 0.285 572 Y C 2.010 177.811 175.900 -0.166 0.000 1.131 572 Y CA 1.328 59.348 58.100 -0.133 0.000 1.121 572 Y CB -1.222 37.202 38.460 -0.060 0.000 0.987 572 Y HN -0.269 nan 8.280 nan 0.000 0.495 573 L N -0.299 120.719 121.223 -0.342 0.000 2.013 573 L HA -0.271 4.069 4.340 0.000 0.000 0.212 573 L C 2.362 178.963 176.870 -0.450 0.000 1.073 573 L CA 1.925 56.521 54.840 -0.407 0.000 0.753 573 L CB -1.909 40.048 42.059 -0.171 0.000 0.890 573 L HN 0.392 nan 8.230 nan 0.000 0.432 574 Y N 0.211 120.093 120.300 -0.698 0.000 2.224 574 Y HA -0.288 4.262 4.550 0.000 0.000 0.289 574 Y C 2.829 178.479 175.900 -0.416 0.000 1.146 574 Y CA 1.805 59.485 58.100 -0.700 0.000 1.182 574 Y CB -0.140 37.748 38.460 -0.953 0.000 0.983 574 Y HN 0.113 nan 8.280 nan 0.000 0.524 575 R N 0.886 121.204 120.500 -0.303 0.000 2.105 575 R HA -0.144 4.196 4.340 0.000 0.000 0.239 575 R C 1.858 178.001 176.300 -0.263 0.000 1.135 575 R CA 1.977 57.942 56.100 -0.224 0.000 0.967 575 R CB -0.461 29.755 30.300 -0.139 0.000 0.861 575 R HN 0.255 nan 8.270 nan 0.000 0.442 576 E N 0.070 120.054 120.200 -0.358 0.000 2.107 576 E HA -0.058 4.292 4.350 0.000 0.000 0.191 576 E C 1.890 178.364 176.600 -0.210 0.000 0.982 576 E CA 1.237 57.453 56.400 -0.306 0.000 0.809 576 E CB -0.417 29.030 29.700 -0.422 0.000 0.756 576 E HN 0.447 nan 8.360 nan 0.000 0.459 577 A N 1.551 124.249 122.820 -0.203 0.000 1.940 577 A HA -0.100 4.220 4.320 0.000 0.000 0.219 577 A C 2.387 179.948 177.584 -0.039 0.000 1.176 577 A CA 1.931 53.969 52.037 0.002 0.000 0.631 577 A CB -0.471 18.495 19.000 -0.057 0.000 0.814 577 A HN 0.257 nan 8.150 nan 0.000 0.446 578 A N -0.283 122.404 122.820 -0.221 0.000 2.015 578 A HA -0.096 4.224 4.320 0.000 0.000 0.219 578 A C 2.181 179.715 177.584 -0.084 0.000 1.163 578 A CA 1.131 53.080 52.037 -0.147 0.000 0.646 578 A CB -0.401 18.507 19.000 -0.154 0.000 0.806 578 A HN 0.564 nan 8.150 nan 0.000 0.448 579 R N -0.293 120.143 120.500 -0.106 0.000 2.096 579 R HA -0.081 4.259 4.340 0.000 0.000 0.235 579 R C 2.462 178.704 176.300 -0.097 0.000 1.127 579 R CA 1.185 57.226 56.100 -0.097 0.000 0.968 579 R CB -0.506 29.726 30.300 -0.112 0.000 0.861 579 R HN 0.498 nan 8.270 nan 0.000 0.440 580 A N 2.010 124.761 122.820 -0.114 0.000 1.858 580 A HA -0.230 4.090 4.320 0.000 0.000 0.216 580 A C 2.049 179.603 177.584 -0.050 0.000 1.190 580 A CA 1.589 53.531 52.037 -0.159 0.000 0.617 580 A CB -0.846 17.913 19.000 -0.402 0.000 0.827 580 A HN 0.397 nan 8.150 nan 0.000 0.443 581 N N 0.377 119.107 118.700 0.051 0.000 2.104 581 N HA -0.172 4.568 4.740 0.000 0.000 0.190 581 N C 1.794 177.287 175.510 -0.028 0.000 1.024 581 N CA 1.795 54.865 53.050 0.033 0.000 0.853 581 N CB -0.198 38.317 38.487 0.048 0.000 1.008 581 N HN 0.393 nan 8.380 nan 0.000 0.424 582 A N 0.108 122.903 122.820 -0.041 0.000 1.984 582 A HA 0.130 4.450 4.320 0.000 0.000 0.214 582 A C 2.125 179.671 177.584 -0.063 0.000 1.173 582 A CA 0.561 52.569 52.037 -0.049 0.000 0.673 582 A CB 0.102 19.075 19.000 -0.045 0.000 0.830 582 A HN 0.262 nan 8.150 nan 0.000 0.453 583 R N -2.486 117.969 120.500 -0.074 0.000 2.521 583 R HA 0.238 4.578 4.340 0.000 0.000 0.289 583 R C 0.877 177.122 176.300 -0.091 0.000 0.936 583 R CA 0.611 56.665 56.100 -0.077 0.000 1.089 583 R CB 0.751 31.008 30.300 -0.073 0.000 1.348 583 R HN 0.652 nan 8.270 nan 0.000 0.536 584 G N 1.509 110.245 108.800 -0.108 0.000 2.143 584 G HA2 -0.245 3.715 3.960 0.000 0.000 0.248 584 G HA3 -0.245 3.715 3.960 0.000 0.000 0.248 584 G C 0.030 174.849 174.900 -0.134 0.000 0.991 584 G CA 0.519 45.542 45.100 -0.128 0.000 0.689 584 G HN 0.243 nan 8.290 nan 0.000 0.522 585 T N 3.594 118.067 114.554 -0.135 0.000 2.729 585 T HA 0.506 4.856 4.350 0.000 0.000 0.296 585 T C -1.692 172.898 174.700 -0.183 0.000 0.928 585 T CA -0.676 61.342 62.100 -0.136 0.000 1.045 585 T CB 2.026 70.823 68.868 -0.117 0.000 0.902 585 T HN 0.258 nan 8.240 nan 0.000 0.500 586 P HA 0.152 nan 4.420 nan 0.000 0.270 586 P C 0.742 177.924 177.300 -0.196 0.000 1.223 586 P CA -0.281 62.679 63.100 -0.233 0.000 0.785 586 P CB 0.802 32.405 31.700 -0.161 0.000 0.923 587 M N 0.460 119.924 119.600 -0.227 0.000 2.200 587 M HA -0.007 4.473 4.480 0.000 0.000 0.265 587 M C 1.428 177.748 176.300 0.033 0.000 1.066 587 M CA 1.627 56.877 55.300 -0.084 0.000 1.127 587 M CB -0.089 32.500 32.600 -0.018 0.000 1.379 587 M HN 0.353 nan 8.290 nan 0.000 0.420 588 M N 1.376 120.985 119.600 0.015 0.000 2.111 588 M HA 0.255 4.735 4.480 0.000 0.000 0.351 588 M C -0.974 175.315 176.300 -0.017 0.000 1.214 588 M CA -0.065 55.247 55.300 0.020 0.000 1.120 588 M CB 0.338 32.867 32.600 -0.119 0.000 1.443 588 M HN -0.021 nan 8.290 nan 0.000 0.429 589 R N 3.578 124.126 120.500 0.080 0.000 2.338 589 R HA 0.621 4.961 4.340 0.000 0.000 0.317 589 R C -0.059 176.273 176.300 0.054 0.000 0.968 589 R CA -0.546 55.568 56.100 0.023 0.000 0.849 589 R CB 1.429 31.743 30.300 0.023 0.000 1.128 589 R HN 0.802 nan 8.270 nan 0.000 0.448 590 A N 3.578 126.379 122.820 -0.032 0.000 2.555 590 A HA -0.048 4.272 4.320 0.000 0.000 0.233 590 A C 1.277 178.870 177.584 0.014 0.000 1.060 590 A CA -0.060 51.957 52.037 -0.034 0.000 0.759 590 A CB 0.174 19.082 19.000 -0.154 0.000 0.995 590 A HN 0.769 nan 8.150 nan 0.000 0.506 591 M N 1.692 121.327 119.600 0.059 0.000 2.149 591 M HA -0.214 4.266 4.480 0.000 0.000 0.261 591 M C 1.988 178.366 176.300 0.130 0.000 1.064 591 M CA 2.393 57.777 55.300 0.141 0.000 1.102 591 M CB -1.445 31.211 32.600 0.094 0.000 1.369 591 M HN 0.980 nan 8.290 nan 0.000 0.408 592 M N -1.813 117.771 119.600 -0.026 0.000 2.374 592 M HA -0.052 4.428 4.480 0.000 0.000 0.264 592 M C 2.003 178.227 176.300 -0.126 0.000 1.067 592 M CA 1.589 56.834 55.300 -0.093 0.000 1.103 592 M CB -0.955 31.489 32.600 -0.261 0.000 1.402 592 M HN 0.233 nan 8.290 nan 0.000 0.444 593 M N -0.056 119.459 119.600 -0.142 0.000 2.236 593 M HA -0.074 4.406 4.480 0.000 0.000 0.266 593 M C 1.880 178.110 176.300 -0.117 0.000 1.070 593 M CA 1.798 57.010 55.300 -0.147 0.000 1.137 593 M CB 0.042 32.553 32.600 -0.148 0.000 1.378 593 M HN 0.408 nan 8.290 nan 0.000 0.426 594 E N 0.014 120.160 120.200 -0.090 0.000 2.230 594 E HA 0.002 4.352 4.350 0.000 0.000 0.192 594 E C -0.421 175.874 176.600 -0.509 0.000 0.987 594 E CA 0.954 57.183 56.400 -0.286 0.000 0.841 594 E CB 0.215 29.761 29.700 -0.257 0.000 0.783 594 E HN 0.511 nan 8.360 nan 0.000 0.481 595 F N 0.525 120.482 119.950 0.012 0.000 2.584 595 F HA 0.326 4.853 4.527 0.000 0.000 0.328 595 F C -1.804 173.997 175.800 0.001 0.000 1.407 595 F CA -1.783 56.237 58.000 0.033 0.000 1.145 595 F CB 1.771 40.821 39.000 0.084 0.000 1.440 595 F HN -0.024 nan 8.300 nan 0.000 0.580 596 P HA -0.096 nan 4.420 nan 0.000 0.223 596 P C 0.408 177.736 177.300 0.046 0.000 1.151 596 P CA 1.273 64.387 63.100 0.024 0.000 0.787 596 P CB 0.411 32.099 31.700 -0.021 0.000 0.788 597 D N -0.685 119.763 120.400 0.080 0.000 2.328 597 D HA 0.008 4.648 4.640 0.000 0.000 0.221 597 D C 0.257 176.609 176.300 0.088 0.000 1.072 597 D CA 0.440 54.484 54.000 0.073 0.000 0.850 597 D CB -0.187 40.656 40.800 0.071 0.000 0.922 597 D HN 0.150 nan 8.370 nan 0.000 0.516 598 D N 1.593 122.062 120.400 0.114 0.000 2.380 598 D HA 0.072 4.712 4.640 0.000 0.000 0.230 598 D C -1.347 174.964 176.300 0.018 0.000 1.154 598 D CA -2.032 52.020 54.000 0.087 0.000 0.859 598 D CB 1.988 42.863 40.800 0.125 0.000 1.045 598 D HN -0.063 nan 8.370 nan 0.000 0.495 599 P HA -0.122 nan 4.420 nan 0.000 0.221 599 P C 0.930 178.195 177.300 -0.059 0.000 1.145 599 P CA 0.551 63.645 63.100 -0.009 0.000 0.795 599 P CB 0.271 31.975 31.700 0.007 0.000 0.775 600 A N -0.721 121.990 122.820 -0.182 0.000 2.168 600 A HA -0.066 4.254 4.320 0.000 0.000 0.215 600 A C 2.141 179.487 177.584 -0.397 0.000 1.152 600 A CA 0.935 52.730 52.037 -0.403 0.000 0.716 600 A CB -1.429 16.983 19.000 -0.980 0.000 0.794 600 A HN 0.267 nan 8.150 nan 0.000 0.465 601 C N -0.199 118.964 119.300 -0.229 0.000 2.626 601 C HA 0.064 4.524 4.460 0.000 0.000 0.266 601 C C 1.772 176.744 174.990 -0.029 0.000 1.317 601 C CA -0.073 58.881 59.018 -0.107 0.000 1.716 601 C CB -0.957 26.777 27.740 -0.010 0.000 1.819 601 C HN 0.552 nan 8.230 nan 0.000 0.578 602 D N 0.820 121.210 120.400 -0.017 0.000 2.123 602 D HA -0.134 4.506 4.640 0.000 0.000 0.196 602 D C 1.046 177.235 176.300 -0.185 0.000 0.992 602 D CA 1.710 55.651 54.000 -0.098 0.000 0.833 602 D CB -0.124 40.548 40.800 -0.213 0.000 0.954 602 D HN 0.593 nan 8.370 nan 0.000 0.455 603 Y N -0.278 120.064 120.300 0.070 0.000 2.531 603 Y HA 0.289 4.839 4.550 0.000 0.000 0.249 603 Y C 0.457 176.399 175.900 0.070 0.000 1.168 603 Y CA -0.373 57.766 58.100 0.065 0.000 1.226 603 Y CB 0.327 38.801 38.460 0.023 0.000 1.177 603 Y HN -0.224 nan 8.280 nan 0.000 0.527 604 L N 2.745 124.066 121.223 0.163 0.000 2.433 604 L HA 0.091 4.431 4.340 0.000 0.000 0.275 604 L C 0.272 177.202 176.870 0.100 0.000 1.128 604 L CA 0.224 55.144 54.840 0.134 0.000 0.875 604 L CB 0.483 42.579 42.059 0.061 0.000 1.171 604 L HN 0.301 nan 8.230 nan 0.000 0.463 605 D N 1.555 122.012 120.400 0.095 0.000 2.527 605 D HA 0.014 4.654 4.640 0.000 0.000 0.224 605 D C 1.056 177.376 176.300 0.033 0.000 1.217 605 D CA -0.196 53.834 54.000 0.050 0.000 0.819 605 D CB 0.342 41.158 40.800 0.027 0.000 1.061 605 D HN 0.396 nan 8.370 nan 0.000 0.515 606 R N 0.412 120.953 120.500 0.068 0.000 2.509 606 R HA 0.231 4.571 4.340 0.000 0.000 0.300 606 R C 0.303 176.704 176.300 0.169 0.000 0.985 606 R CA 0.013 56.168 56.100 0.092 0.000 1.092 606 R CB 0.632 30.964 30.300 0.054 0.000 1.237 606 R HN 0.375 nan 8.270 nan 0.000 0.546 607 Q N -0.166 119.713 119.800 0.132 0.000 2.648 607 Q HA 0.468 4.808 4.340 0.000 0.000 0.300 607 Q C -1.398 174.703 176.000 0.168 0.000 0.954 607 Q CA -1.219 54.622 55.803 0.063 0.000 0.757 607 Q CB 1.615 30.335 28.738 -0.030 0.000 1.482 607 Q HN 0.059 nan 8.270 nan 0.000 0.437 608 Y N -2.260 118.034 120.300 -0.010 0.000 2.741 608 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 608 Y C -1.802 174.136 175.900 0.064 0.000 1.226 608 Y CA -1.552 56.564 58.100 0.027 0.000 1.072 608 Y CB 1.123 39.603 38.460 0.035 0.000 1.331 608 Y HN 0.572 nan 8.280 nan 0.000 0.453 609 M N 3.010 122.777 119.600 0.279 0.000 2.300 609 M HA 0.403 4.883 4.480 0.000 0.000 0.348 609 M C -1.296 175.214 176.300 0.349 0.000 1.151 609 M CA -0.719 54.721 55.300 0.233 0.000 1.046 609 M CB 1.549 34.289 32.600 0.233 0.000 1.647 609 M HN 0.742 nan 8.290 nan 0.000 0.451 610 L N 3.361 124.761 121.223 0.294 0.000 2.297 610 L HA 0.650 4.990 4.340 0.000 0.000 0.277 610 L C 0.395 177.425 176.870 0.268 0.000 1.040 610 L CA 0.705 55.751 54.840 0.344 0.000 0.867 610 L CB 0.168 42.448 42.059 0.369 0.000 1.244 610 L HN 0.966 nan 8.230 nan 0.000 0.433 611 G N 3.874 112.757 108.800 0.139 0.000 2.796 611 G HA2 -0.279 3.681 3.960 0.000 0.000 0.226 611 G HA3 -0.279 3.681 3.960 0.000 0.000 0.226 611 G C 0.349 175.325 174.900 0.126 0.000 1.381 611 G CA -0.034 45.093 45.100 0.044 0.000 0.867 611 G HN 0.543 nan 8.290 nan 0.000 0.552 612 D N 0.319 120.776 120.400 0.095 0.000 2.182 612 D HA -0.059 4.581 4.640 0.000 0.000 0.201 612 D C 1.997 178.363 176.300 0.110 0.000 0.986 612 D CA 1.648 55.685 54.000 0.062 0.000 0.847 612 D CB 0.039 40.863 40.800 0.040 0.000 0.942 612 D HN 0.363 nan 8.370 nan 0.000 0.467 613 N N -0.545 118.284 118.700 0.216 0.000 2.171 613 N HA 0.049 4.789 4.740 0.000 0.000 0.212 613 N C -0.233 175.316 175.510 0.065 0.000 1.184 613 N CA 0.010 53.109 53.050 0.081 0.000 0.888 613 N CB 2.294 40.765 38.487 -0.027 0.000 1.038 613 N HN 0.063 nan 8.380 nan 0.000 0.517 614 V N 0.788 120.807 119.914 0.175 0.000 2.588 614 V HA 0.573 4.693 4.120 0.000 0.000 0.304 614 V C -0.989 175.193 176.094 0.145 0.000 1.042 614 V CA -0.773 61.603 62.300 0.127 0.000 0.877 614 V CB 2.433 34.240 31.823 -0.028 0.000 0.996 614 V HN -0.097 nan 8.190 nan 0.000 0.425 615 M N 7.518 127.177 119.600 0.099 0.000 2.129 615 M HA 0.567 5.047 4.480 0.000 0.000 0.348 615 M C -1.283 174.850 176.300 -0.279 0.000 1.116 615 M CA -0.409 54.834 55.300 -0.096 0.000 1.022 615 M CB 1.071 33.517 32.600 -0.256 0.000 1.599 615 M HN 0.908 nan 8.290 nan 0.000 0.449 616 V N 5.188 124.811 119.914 -0.486 0.000 2.459 616 V HA 0.924 5.044 4.120 0.000 0.000 0.295 616 V C -0.981 174.748 176.094 -0.609 0.000 1.029 616 V CA -0.349 61.603 62.300 -0.580 0.000 0.874 616 V CB 1.505 33.015 31.823 -0.522 0.000 0.985 616 V HN 0.972 nan 8.190 nan 0.000 0.438 617 A N 7.548 130.100 122.820 -0.446 0.000 2.431 617 A HA 0.844 5.164 4.320 0.000 0.000 0.318 617 A C -2.719 174.705 177.584 -0.266 0.000 1.330 617 A CA -1.766 50.090 52.037 -0.302 0.000 0.804 617 A CB 0.676 19.502 19.000 -0.289 0.000 1.135 617 A HN 0.764 nan 8.150 nan 0.000 0.483 618 P HA 0.148 nan 4.420 nan 0.000 0.269 618 P C -0.294 176.698 177.300 -0.513 0.000 1.217 618 P CA 0.034 62.867 63.100 -0.444 0.000 0.783 618 P CB 0.692 31.908 31.700 -0.805 0.000 0.898 619 V N 3.291 122.934 119.914 -0.452 0.000 2.383 619 V HA 0.188 4.308 4.120 0.000 0.000 0.275 619 V C 0.341 176.154 176.094 -0.468 0.000 1.036 619 V CA 0.291 62.411 62.300 -0.300 0.000 0.889 619 V CB 0.105 31.857 31.823 -0.119 0.000 0.985 619 V HN 0.454 nan 8.190 nan 0.000 0.459 620 F N 2.467 122.294 119.950 -0.205 0.000 2.708 620 F HA 0.255 4.782 4.527 0.000 0.000 0.300 620 F C 1.099 176.358 175.800 -0.901 0.000 1.118 620 F CA -0.265 57.478 58.000 -0.428 0.000 1.307 620 F CB 0.566 39.451 39.000 -0.192 0.000 0.986 620 F HN 0.565 nan 8.300 nan 0.000 0.522 621 T N -4.495 109.717 114.554 -0.570 0.000 2.906 621 T HA 0.291 4.641 4.350 0.000 0.000 0.295 621 T C 0.783 175.391 174.700 -0.154 0.000 1.075 621 T CA -0.693 61.131 62.100 -0.460 0.000 1.005 621 T CB 2.480 71.266 68.868 -0.136 0.000 1.136 621 T HN 0.169 nan 8.240 nan 0.000 0.498 622 E N 1.063 121.314 120.200 0.084 0.000 2.028 622 E HA -0.101 4.249 4.350 0.000 0.000 0.191 622 E C 2.312 178.950 176.600 0.063 0.000 0.988 622 E CA 1.229 57.745 56.400 0.194 0.000 0.799 622 E CB -0.486 29.096 29.700 -0.195 0.000 0.755 622 E HN 0.805 nan 8.360 nan 0.000 0.447 623 A N 0.064 122.883 122.820 -0.002 0.000 2.032 623 A HA -0.077 4.243 4.320 0.000 0.000 0.221 623 A C 1.975 179.519 177.584 -0.067 0.000 1.165 623 A CA 1.869 53.887 52.037 -0.032 0.000 0.645 623 A CB -0.841 18.152 19.000 -0.012 0.000 0.807 623 A HN 0.638 nan 8.150 nan 0.000 0.453 624 G N -1.088 107.679 108.800 -0.055 0.000 2.176 624 G HA2 -0.190 3.770 3.960 0.000 0.000 0.232 624 G HA3 -0.190 3.770 3.960 0.000 0.000 0.232 624 G C -0.351 174.577 174.900 0.046 0.000 0.986 624 G CA 0.130 45.211 45.100 -0.032 0.000 0.643 624 G HN 0.606 nan 8.290 nan 0.000 0.522 625 D N 0.180 120.601 120.400 0.036 0.000 2.424 625 D HA 0.415 5.055 4.640 0.000 0.000 0.244 625 D C 0.066 176.430 176.300 0.106 0.000 1.134 625 D CA 0.730 54.775 54.000 0.075 0.000 0.881 625 D CB 2.517 43.345 40.800 0.046 0.000 1.191 625 D HN 0.536 nan 8.370 nan 0.000 0.445 626 V N 1.409 121.428 119.914 0.175 0.000 2.924 626 V HA 0.216 4.336 4.120 0.000 0.000 0.300 626 V C -1.787 174.502 176.094 0.324 0.000 1.227 626 V CA -0.563 61.873 62.300 0.227 0.000 0.954 626 V CB 2.309 34.248 31.823 0.194 0.000 1.055 626 V HN 0.516 nan 8.190 nan 0.000 0.429 627 Q N 5.118 125.132 119.800 0.356 0.000 2.365 627 Q HA 0.793 5.133 4.340 0.000 0.000 0.269 627 Q C -1.550 174.804 176.000 0.590 0.000 1.061 627 Q CA -0.522 55.520 55.803 0.399 0.000 0.816 627 Q CB 2.771 31.687 28.738 0.297 0.000 1.325 627 Q HN 0.768 nan 8.270 nan 0.000 0.446 628 F N -1.055 119.060 119.950 0.276 0.000 2.654 628 F HA 0.550 5.077 4.527 0.000 0.000 0.308 628 F C -1.877 173.542 175.800 -0.635 0.000 1.108 628 F CA -1.336 56.551 58.000 -0.187 0.000 0.957 628 F CB 0.917 39.813 39.000 -0.174 0.000 1.309 628 F HN 0.478 nan 8.300 nan 0.000 0.446 629 Y N 2.821 122.402 120.300 -1.198 0.000 2.361 629 Y HA 0.763 5.313 4.550 0.000 0.000 0.332 629 Y C -1.728 173.741 175.900 -0.718 0.000 1.101 629 Y CA -1.256 56.060 58.100 -1.307 0.000 1.137 629 Y CB 1.436 38.944 38.460 -1.588 0.000 1.207 629 Y HN 0.724 nan 8.280 nan 0.000 0.463 630 L N 8.429 128.731 121.223 -1.536 0.000 2.356 630 L HA 0.560 4.900 4.340 0.000 0.000 0.277 630 L C -2.379 173.575 176.870 -1.526 0.000 0.996 630 L CA -2.872 51.132 54.840 -1.395 0.000 0.822 630 L CB 1.508 42.882 42.059 -1.142 0.000 1.256 630 L HN 0.595 nan 8.230 nan 0.000 0.413 631 P HA 0.073 nan 4.420 nan 0.000 0.273 631 P C -0.593 176.664 177.300 -0.071 0.000 1.250 631 P CA -0.544 62.250 63.100 -0.509 0.000 0.793 631 P CB 0.412 31.553 31.700 -0.931 0.000 1.011 632 E N 0.402 120.614 120.200 0.021 0.000 2.534 632 E HA 0.241 4.591 4.350 0.000 0.000 0.264 632 E C 0.178 176.871 176.600 0.156 0.000 0.981 632 E CA 0.448 56.905 56.400 0.095 0.000 0.948 632 E CB -0.536 29.218 29.700 0.091 0.000 0.934 632 E HN 0.703 nan 8.360 nan 0.000 0.459 633 G N 2.500 111.361 108.800 0.102 0.000 2.355 633 G HA2 -0.090 3.870 3.960 0.000 0.000 0.619 633 G HA3 -0.090 3.870 3.960 0.000 0.000 0.619 633 G C -1.244 173.688 174.900 0.053 0.000 1.337 633 G CA -0.478 44.609 45.100 -0.021 0.000 0.993 633 G HN 0.700 nan 8.290 nan 0.000 0.599 634 R N -0.245 120.229 120.500 -0.043 0.000 2.198 634 R HA 0.586 4.926 4.340 0.000 0.000 0.339 634 R C -0.749 175.555 176.300 0.006 0.000 1.020 634 R CA -0.616 55.513 56.100 0.049 0.000 0.864 634 R CB 0.430 30.749 30.300 0.032 0.000 1.105 634 R HN 0.479 nan 8.270 nan 0.000 0.463 635 W N 2.375 123.676 121.300 0.003 0.000 2.449 635 W HA 0.397 5.057 4.660 0.000 0.000 0.331 635 W C -0.193 176.438 176.519 0.187 0.000 1.119 635 W CA -0.319 57.054 57.345 0.047 0.000 1.240 635 W CB 2.113 31.560 29.460 -0.022 0.000 1.251 635 W HN 0.344 nan 8.180 nan 0.000 0.576 636 T N 2.093 116.889 114.554 0.404 0.000 2.848 636 T HA 0.094 4.444 4.350 0.000 0.000 0.285 636 T C -0.649 174.100 174.700 0.082 0.000 0.995 636 T CA -0.612 61.687 62.100 0.332 0.000 0.970 636 T CB 0.819 69.924 68.868 0.396 0.000 0.976 636 T HN 0.262 nan 8.240 nan 0.000 0.441 637 H N 2.977 121.906 119.070 -0.235 0.000 2.928 637 H HA 0.073 4.629 4.556 0.000 0.000 0.338 637 H C 0.863 175.956 175.328 -0.392 0.000 1.047 637 H CA -0.341 55.237 56.048 -0.782 0.000 1.435 637 H CB 0.886 30.152 29.762 -0.826 0.000 1.428 637 H HN 0.509 nan 8.280 nan 0.000 0.590 638 L N 5.946 126.820 121.223 -0.582 0.000 2.083 638 L HA -0.138 4.202 4.340 0.000 0.000 0.209 638 L C 1.740 178.729 176.870 0.198 0.000 1.083 638 L CA 2.107 56.880 54.840 -0.112 0.000 0.752 638 L CB -0.487 41.532 42.059 -0.068 0.000 0.899 638 L HN 0.820 nan 8.230 nan 0.000 0.433 639 W N -4.342 117.057 121.300 0.165 0.000 2.942 639 W HA 0.253 4.913 4.660 0.000 0.000 0.260 639 W C 1.903 178.458 176.519 0.060 0.000 1.101 639 W CA 0.020 57.408 57.345 0.072 0.000 1.436 639 W CB -0.766 28.692 29.460 -0.003 0.000 0.883 639 W HN -0.068 nan 8.180 nan 0.000 0.646 640 H N 1.379 120.222 119.070 -0.378 0.000 2.457 640 H HA -0.079 4.477 4.556 0.000 0.000 0.294 640 H C 0.929 176.210 175.328 -0.078 0.000 1.064 640 H CA 1.441 57.287 56.048 -0.336 0.000 1.330 640 H CB -0.517 28.791 29.762 -0.757 0.000 1.395 640 H HN 0.283 nan 8.280 nan 0.000 0.541 641 N N 0.723 119.497 118.700 0.124 0.000 2.900 641 N HA -0.174 4.566 4.740 0.000 0.000 0.240 641 N C -0.650 174.951 175.510 0.152 0.000 0.953 641 N CA 1.043 54.188 53.050 0.159 0.000 0.950 641 N CB -0.985 37.589 38.487 0.144 0.000 1.102 641 N HN 0.692 nan 8.380 nan 0.000 0.593 642 D N -0.016 120.468 120.400 0.140 0.000 2.362 642 D HA 0.131 4.771 4.640 0.000 0.000 0.242 642 D C -0.203 176.243 176.300 0.243 0.000 1.132 642 D CA 0.243 54.331 54.000 0.148 0.000 0.907 642 D CB 0.915 41.777 40.800 0.104 0.000 1.195 642 D HN 0.317 nan 8.370 nan 0.000 0.429 643 E N 0.242 120.560 120.200 0.196 0.000 2.207 643 E HA 0.576 4.926 4.350 0.000 0.000 0.270 643 E C -0.703 175.978 176.600 0.135 0.000 0.927 643 E CA -0.848 55.676 56.400 0.207 0.000 0.799 643 E CB 2.205 31.995 29.700 0.150 0.000 1.172 643 E HN 0.356 nan 8.360 nan 0.000 0.404 644 L N 1.897 123.178 121.223 0.098 0.000 2.422 644 L HA 0.406 4.746 4.340 0.000 0.000 0.264 644 L C -0.698 176.202 176.870 0.051 0.000 0.984 644 L CA -1.070 53.724 54.840 -0.077 0.000 0.819 644 L CB 2.023 43.756 42.059 -0.544 0.000 1.330 644 L HN 0.401 nan 8.230 nan 0.000 0.410 645 D N 1.398 121.849 120.400 0.084 0.000 2.302 645 D HA 0.363 5.003 4.640 0.000 0.000 0.248 645 D C 0.164 176.539 176.300 0.125 0.000 1.094 645 D CA 0.066 54.136 54.000 0.116 0.000 0.897 645 D CB 2.330 43.177 40.800 0.078 0.000 1.200 645 D HN 0.676 nan 8.370 nan 0.000 0.429 646 G N -0.768 108.093 108.800 0.101 0.000 2.606 646 G HA2 0.317 4.277 3.960 0.000 0.000 0.262 646 G HA3 0.317 4.277 3.960 0.000 0.000 0.262 646 G C 0.062 174.888 174.900 -0.124 0.000 1.394 646 G CA -0.451 44.619 45.100 -0.050 0.000 1.044 646 G HN 0.453 nan 8.290 nan 0.000 0.553 647 S N -1.475 114.095 115.700 -0.217 0.000 3.561 647 S HA -0.176 4.294 4.470 0.000 0.000 0.318 647 S C 0.360 174.931 174.600 -0.048 0.000 1.181 647 S CA 1.741 59.894 58.200 -0.077 0.000 0.916 647 S CB -1.431 61.786 63.200 0.028 0.000 0.966 647 S HN 1.155 nan 8.310 nan 0.000 0.550 648 R N -1.998 118.286 120.500 -0.360 0.000 2.728 648 R HA 0.541 4.882 4.340 0.000 0.000 0.274 648 R C -1.480 174.531 176.300 -0.481 0.000 1.030 648 R CA -1.125 54.853 56.100 -0.203 0.000 0.876 648 R CB 0.273 30.424 30.300 -0.248 0.000 1.259 648 R HN 0.115 nan 8.270 nan 0.000 0.468 649 W N 0.874 121.969 121.300 -0.343 0.000 2.303 649 W HA 0.434 5.094 4.660 0.000 0.000 0.334 649 W C 0.395 176.415 176.519 -0.830 0.000 1.197 649 W CA 0.483 57.575 57.345 -0.421 0.000 1.262 649 W CB 0.838 30.177 29.460 -0.202 0.000 1.153 649 W HN 0.314 nan 8.180 nan 0.000 0.596 650 H N 1.303 120.121 119.070 -0.420 0.000 2.821 650 H HA 0.360 4.916 4.556 0.000 0.000 0.373 650 H C -1.085 174.021 175.328 -0.371 0.000 1.165 650 H CA -1.110 54.610 56.048 -0.546 0.000 1.154 650 H CB 2.461 31.602 29.762 -1.035 0.000 1.765 650 H HN 0.226 nan 8.280 nan 0.000 0.549 651 K N 2.091 122.477 120.400 -0.022 0.000 2.426 651 K HA 0.365 4.685 4.320 0.000 0.000 0.254 651 K C -1.053 175.624 176.600 0.127 0.000 0.936 651 K CA -0.361 55.964 56.287 0.063 0.000 0.801 651 K CB 1.651 34.171 32.500 0.035 0.000 1.139 651 K HN 0.643 nan 8.250 nan 0.000 0.424 652 Q N 1.471 121.409 119.800 0.230 0.000 2.687 652 Q HA 0.335 4.675 4.340 0.000 0.000 0.305 652 Q C -1.560 174.571 176.000 0.217 0.000 1.006 652 Q CA -1.067 54.882 55.803 0.244 0.000 0.763 652 Q CB 2.720 31.733 28.738 0.457 0.000 1.506 652 Q HN 0.432 nan 8.270 nan 0.000 0.459 653 Q N 0.901 120.765 119.800 0.107 0.000 2.268 653 Q HA 0.325 4.665 4.340 0.000 0.000 0.266 653 Q C -1.891 174.070 176.000 -0.065 0.000 1.006 653 Q CA -0.233 55.613 55.803 0.072 0.000 0.824 653 Q CB 1.678 30.414 28.738 -0.002 0.000 1.306 653 Q HN 0.696 nan 8.270 nan 0.000 0.424 654 H N 1.443 120.503 119.070 -0.016 0.000 2.689 654 H HA 0.347 4.903 4.556 0.000 0.000 0.346 654 H C 0.118 175.383 175.328 -0.104 0.000 1.037 654 H CA -0.481 55.560 56.048 -0.012 0.000 1.234 654 H CB 2.062 31.864 29.762 0.066 0.000 1.572 654 H HN 0.829 nan 8.280 nan 0.000 0.524 655 G N 0.789 109.568 108.800 -0.034 0.000 2.683 655 G HA2 0.024 3.984 3.960 0.000 0.000 0.260 655 G HA3 0.024 3.984 3.960 0.000 0.000 0.260 655 G C 0.332 175.177 174.900 -0.092 0.000 1.238 655 G CA -0.343 44.650 45.100 -0.179 0.000 0.934 655 G HN 0.509 nan 8.290 nan 0.000 0.534 656 F N -1.010 119.041 119.950 0.169 0.000 2.641 656 F HA 0.077 4.604 4.527 0.000 0.000 0.298 656 F C 1.923 177.860 175.800 0.230 0.000 1.146 656 F CA 0.321 58.443 58.000 0.203 0.000 1.464 656 F CB -0.069 39.047 39.000 0.195 0.000 1.101 656 F HN 0.038 nan 8.300 nan 0.000 0.585 657 L N -1.539 119.819 121.223 0.226 0.000 2.700 657 L HA 0.216 4.556 4.340 0.000 0.000 0.234 657 L C 0.509 177.442 176.870 0.105 0.000 1.156 657 L CA 0.229 55.019 54.840 -0.083 0.000 0.946 657 L CB -0.227 41.503 42.059 -0.547 0.000 1.216 657 L HN -0.084 nan 8.230 nan 0.000 0.493 658 S N 0.261 116.250 115.700 0.481 0.000 2.564 658 S HA 0.910 5.380 4.470 0.000 0.000 0.274 658 S C -1.170 173.756 174.600 0.543 0.000 1.124 658 S CA -0.619 58.014 58.200 0.721 0.000 0.869 658 S CB 1.300 64.935 63.200 0.725 0.000 1.105 658 S HN 0.140 nan 8.310 nan 0.000 0.472 659 L N 0.048 121.515 121.223 0.405 0.000 2.671 659 L HA 0.748 5.088 4.340 0.000 0.000 0.259 659 L C -3.084 173.591 176.870 -0.326 0.000 1.021 659 L CA -2.591 52.104 54.840 -0.242 0.000 0.871 659 L CB 1.687 43.690 42.059 -0.095 0.000 1.472 659 L HN 0.320 nan 8.230 nan 0.000 0.410 660 P HA 0.102 nan 4.420 nan 0.000 0.257 660 P C -0.888 176.142 177.300 -0.449 0.000 1.189 660 P CA 0.277 63.123 63.100 -0.422 0.000 0.780 660 P CB 0.478 31.606 31.700 -0.953 0.000 0.772 661 V N 6.075 125.527 119.914 -0.771 0.000 2.398 661 V HA 0.318 4.438 4.120 0.000 0.000 0.282 661 V C -0.682 174.836 176.094 -0.959 0.000 1.014 661 V CA -0.500 61.379 62.300 -0.703 0.000 0.838 661 V CB 0.368 31.896 31.823 -0.491 0.000 1.018 661 V HN 0.365 nan 8.190 nan 0.000 0.432 662 Y N 2.411 122.456 120.300 -0.425 0.000 2.429 662 Y HA 0.702 5.252 4.550 0.000 0.000 0.342 662 Y C 0.026 175.951 175.900 0.042 0.000 1.004 662 Y CA -0.918 57.065 58.100 -0.195 0.000 1.075 662 Y CB 2.441 40.840 38.460 -0.101 0.000 1.214 662 Y HN 0.353 nan 8.280 nan 0.000 0.455 663 V N 4.376 124.323 119.914 0.056 0.000 2.398 663 V HA 0.442 4.562 4.120 0.000 0.000 0.286 663 V C 0.061 175.941 176.094 -0.357 0.000 1.026 663 V CA -1.301 60.820 62.300 -0.298 0.000 0.868 663 V CB 1.273 32.439 31.823 -1.095 0.000 0.982 663 V HN 0.734 nan 8.190 nan 0.000 0.443 664 R N 2.222 122.293 120.500 -0.715 0.000 2.861 664 R HA 0.115 4.455 4.340 0.000 0.000 0.268 664 R C -0.003 175.915 176.300 -0.637 0.000 1.027 664 R CA -0.179 55.191 56.100 -1.217 0.000 1.163 664 R CB 0.253 30.080 30.300 -0.788 0.000 1.060 664 R HN 0.921 nan 8.270 nan 0.000 0.483 665 D N 0.362 120.417 120.400 -0.575 0.000 2.411 665 D HA -0.012 4.628 4.640 0.000 0.000 0.251 665 D C -0.120 176.059 176.300 -0.202 0.000 1.201 665 D CA -0.581 53.253 54.000 -0.276 0.000 0.996 665 D CB 0.252 40.901 40.800 -0.252 0.000 1.101 665 D HN 0.471 nan 8.370 nan 0.000 0.504 666 N N -1.561 117.066 118.700 -0.120 0.000 2.735 666 N HA -0.152 4.588 4.740 0.000 0.000 0.248 666 N C -0.911 174.586 175.510 -0.022 0.000 1.083 666 N CA 0.991 53.994 53.050 -0.078 0.000 0.703 666 N CB -1.659 36.753 38.487 -0.124 0.000 1.005 666 N HN 0.543 nan 8.380 nan 0.000 0.550 667 T N 0.962 115.531 114.554 0.025 0.000 2.823 667 T HA 0.542 4.892 4.350 0.000 0.000 0.279 667 T C -0.032 174.779 174.700 0.185 0.000 0.998 667 T CA -0.558 61.578 62.100 0.060 0.000 0.994 667 T CB 2.247 71.099 68.868 -0.026 0.000 0.960 667 T HN 0.141 nan 8.240 nan 0.000 0.448 668 L N 4.511 125.823 121.223 0.148 0.000 2.316 668 L HA 0.688 5.028 4.340 0.000 0.000 0.280 668 L C -1.384 175.630 176.870 0.240 0.000 1.006 668 L CA -0.756 54.201 54.840 0.196 0.000 0.836 668 L CB 0.907 43.024 42.059 0.097 0.000 1.221 668 L HN 0.537 nan 8.230 nan 0.000 0.418 669 L N 4.632 126.049 121.223 0.324 0.000 2.317 669 L HA 0.863 5.203 4.340 0.000 0.000 0.281 669 L C -0.191 176.854 176.870 0.291 0.000 1.024 669 L CA -0.129 54.852 54.840 0.236 0.000 0.810 669 L CB 1.795 43.969 42.059 0.193 0.000 1.240 669 L HN 0.765 nan 8.230 nan 0.000 0.427 670 A N 5.012 127.948 122.820 0.193 0.000 2.260 670 A HA 0.688 5.008 4.320 0.000 0.000 0.314 670 A C -1.161 176.427 177.584 0.006 0.000 1.257 670 A CA -0.412 51.622 52.037 -0.004 0.000 0.871 670 A CB 0.299 19.252 19.000 -0.078 0.000 1.166 670 A HN 0.496 nan 8.150 nan 0.000 0.522 671 L N 2.175 123.407 121.223 0.014 0.000 2.331 671 L HA 0.701 5.041 4.340 0.000 0.000 0.275 671 L C 0.940 177.844 176.870 0.057 0.000 1.022 671 L CA 0.104 54.974 54.840 0.050 0.000 0.812 671 L CB 1.716 43.813 42.059 0.064 0.000 1.257 671 L HN 0.787 nan 8.230 nan 0.000 0.435 672 G N 0.533 109.424 108.800 0.150 0.000 2.488 672 G HA2 0.333 4.293 3.960 0.000 0.000 0.318 672 G HA3 0.333 4.293 3.960 0.000 0.000 0.318 672 G C 0.352 175.342 174.900 0.151 0.000 1.188 672 G CA -0.395 44.880 45.100 0.293 0.000 0.944 672 G HN 0.720 nan 8.290 nan 0.000 0.495 673 N N -0.529 118.222 118.700 0.086 0.000 2.268 673 N HA 0.003 4.743 4.740 0.000 0.000 0.204 673 N C -0.178 175.198 175.510 -0.224 0.000 1.124 673 N CA -0.376 52.642 53.050 -0.052 0.000 0.838 673 N CB 0.325 38.798 38.487 -0.022 0.000 0.994 673 N HN 0.308 nan 8.380 nan 0.000 0.489 674 N N 1.163 119.565 118.700 -0.496 0.000 2.442 674 N HA 0.084 4.824 4.740 0.000 0.000 0.274 674 N C -1.005 174.292 175.510 -0.356 0.000 1.002 674 N CA -0.319 52.349 53.050 -0.637 0.000 0.910 674 N CB 1.445 39.170 38.487 -1.270 0.000 1.244 674 N HN 0.173 nan 8.380 nan 0.000 0.492 675 D N 1.954 122.253 120.400 -0.167 0.000 2.424 675 D HA 0.084 4.724 4.640 0.000 0.000 0.220 675 D C 0.195 176.495 176.300 0.000 0.000 1.150 675 D CA 0.303 54.265 54.000 -0.063 0.000 0.831 675 D CB 0.504 41.256 40.800 -0.080 0.000 0.981 675 D HN 0.346 nan 8.370 nan 0.000 0.500 676 Q N 0.218 120.022 119.800 0.007 0.000 2.280 676 Q HA 0.194 4.534 4.340 0.000 0.000 0.244 676 Q C 0.493 176.652 176.000 0.265 0.000 0.847 676 Q CA 0.333 56.194 55.803 0.097 0.000 0.945 676 Q CB 1.629 30.387 28.738 0.032 0.000 1.115 676 Q HN 0.512 nan 8.270 nan 0.000 0.513 677 R N -0.655 119.964 120.500 0.197 0.000 2.739 677 R HA 0.408 4.748 4.340 0.000 0.000 0.271 677 R C -2.585 173.840 176.300 0.208 0.000 1.010 677 R CA -1.388 54.821 56.100 0.181 0.000 0.897 677 R CB 1.178 31.612 30.300 0.223 0.000 1.236 677 R HN -0.319 nan 8.270 nan 0.000 0.466 678 P HA -0.026 nan 4.420 nan 0.000 0.226 678 P C -0.666 176.832 177.300 0.331 0.000 1.161 678 P CA 0.904 64.137 63.100 0.222 0.000 0.804 678 P CB 0.059 31.828 31.700 0.114 0.000 0.829 679 D N 0.563 121.108 120.400 0.242 0.000 2.454 679 D HA 0.222 4.862 4.640 0.000 0.000 0.225 679 D C -0.197 176.063 176.300 -0.067 0.000 1.081 679 D CA -0.868 53.146 54.000 0.023 0.000 0.864 679 D CB 0.340 41.170 40.800 0.051 0.000 1.040 679 D HN 0.246 nan 8.370 nan 0.000 0.517 680 Y N -1.020 118.981 120.300 -0.498 0.000 2.905 680 Y HA 0.470 5.020 4.550 0.000 0.000 0.322 680 Y C -1.247 174.160 175.900 -0.822 0.000 1.455 680 Y CA -1.718 56.104 58.100 -0.463 0.000 1.083 680 Y CB 0.971 39.322 38.460 -0.182 0.000 1.473 680 Y HN 0.033 nan 8.280 nan 0.000 0.449 681 V N 3.306 123.075 119.914 -0.240 0.000 2.338 681 V HA 0.113 4.233 4.120 0.000 0.000 0.255 681 V C -0.274 175.722 176.094 -0.163 0.000 1.082 681 V CA -0.391 61.718 62.300 -0.318 0.000 0.951 681 V CB -0.526 31.152 31.823 -0.242 0.000 1.102 681 V HN 0.826 nan 8.190 nan 0.000 0.489 682 W N 4.683 125.942 121.300 -0.069 0.000 2.436 682 W HA -0.045 4.615 4.660 0.000 0.000 0.284 682 W C 2.187 178.721 176.519 0.025 0.000 1.225 682 W CA 1.379 58.682 57.345 -0.070 0.000 1.271 682 W CB -0.720 28.645 29.460 -0.158 0.000 1.114 682 W HN 0.976 nan 8.180 nan 0.000 0.559 683 H N -0.500 118.693 119.070 0.205 0.000 2.553 683 H HA 0.211 4.767 4.556 0.000 0.000 0.269 683 H C -0.644 174.731 175.328 0.078 0.000 1.011 683 H CA 0.640 56.762 56.048 0.123 0.000 1.150 683 H CB -0.376 29.448 29.762 0.103 0.000 1.339 683 H HN 0.114 nan 8.280 nan 0.000 0.604 684 E N -0.142 119.936 120.200 -0.203 0.000 2.218 684 E HA 0.410 4.760 4.350 0.000 0.000 0.263 684 E C 0.059 176.661 176.600 0.003 0.000 0.879 684 E CA -0.303 56.030 56.400 -0.112 0.000 0.762 684 E CB 1.856 31.423 29.700 -0.223 0.000 1.166 684 E HN 0.438 nan 8.360 nan 0.000 0.415 685 G N 2.757 111.591 108.800 0.057 0.000 2.175 685 G HA2 -0.269 3.691 3.960 0.000 0.000 0.244 685 G HA3 -0.269 3.691 3.960 0.000 0.000 0.244 685 G C 0.411 175.357 174.900 0.077 0.000 0.982 685 G CA 0.050 45.185 45.100 0.059 0.000 0.641 685 G HN 0.504 nan 8.290 nan 0.000 0.527 686 T N 1.462 116.060 114.554 0.073 0.000 2.871 686 T HA 0.443 4.793 4.350 0.000 0.000 0.296 686 T C 0.655 175.305 174.700 -0.083 0.000 0.998 686 T CA 0.790 62.835 62.100 -0.092 0.000 1.162 686 T CB 1.473 70.130 68.868 -0.351 0.000 0.947 686 T HN 1.477 nan 8.240 nan 0.000 0.536 687 A N 4.355 127.124 122.820 -0.085 0.000 2.366 687 A HA 0.611 4.931 4.320 0.000 0.000 0.322 687 A C -0.134 177.434 177.584 -0.027 0.000 1.397 687 A CA -0.749 51.293 52.037 0.008 0.000 0.984 687 A CB -0.300 18.783 19.000 0.138 0.000 1.149 687 A HN 0.705 nan 8.150 nan 0.000 0.540 688 F N 1.662 121.679 119.950 0.113 0.000 2.410 688 F HA 0.362 4.889 4.527 0.000 0.000 0.334 688 F C 1.074 176.804 175.800 -0.117 0.000 1.134 688 F CA 0.619 58.677 58.000 0.097 0.000 1.227 688 F CB 0.860 39.904 39.000 0.074 0.000 1.194 688 F HN 0.491 nan 8.300 nan 0.000 0.571 689 H N 2.752 121.941 119.070 0.199 0.000 2.934 689 H HA 0.304 4.860 4.556 0.000 0.000 0.340 689 H C -1.453 173.791 175.328 -0.140 0.000 1.008 689 H CA -0.843 55.166 56.048 -0.067 0.000 1.317 689 H CB 2.267 31.942 29.762 -0.144 0.000 1.670 689 H HN 0.394 nan 8.280 nan 0.000 0.516 690 L N 4.201 125.325 121.223 -0.165 0.000 2.272 690 L HA 0.406 4.746 4.340 0.000 0.000 0.289 690 L C -1.441 175.302 176.870 -0.211 0.000 1.032 690 L CA -0.192 54.606 54.840 -0.070 0.000 0.810 690 L CB 0.137 42.177 42.059 -0.032 0.000 1.205 690 L HN 0.333 nan 8.230 nan 0.000 0.422 691 F N 4.415 124.380 119.950 0.025 0.000 2.427 691 F HA 0.391 4.918 4.527 0.000 0.000 0.348 691 F C 0.627 176.405 175.800 -0.037 0.000 1.125 691 F CA -0.896 57.105 58.000 0.002 0.000 0.989 691 F CB 0.951 39.936 39.000 -0.024 0.000 1.165 691 F HN 0.504 nan 8.300 nan 0.000 0.442 692 N N 2.995 121.765 118.700 0.116 0.000 2.696 692 N HA -0.243 4.497 4.740 0.000 0.000 0.271 692 N C -0.506 174.996 175.510 -0.014 0.000 0.997 692 N CA 0.440 53.513 53.050 0.038 0.000 0.801 692 N CB -0.530 37.973 38.487 0.027 0.000 0.913 692 N HN 0.603 nan 8.380 nan 0.000 0.557 693 L N 0.820 122.042 121.223 -0.003 0.000 2.477 693 L HA -0.016 4.324 4.340 0.000 0.000 0.272 693 L C 0.813 177.663 176.870 -0.033 0.000 1.157 693 L CA 0.368 55.197 54.840 -0.019 0.000 0.889 693 L CB 0.324 42.390 42.059 0.012 0.000 1.158 693 L HN 0.308 nan 8.230 nan 0.000 0.473 694 Q N 2.810 122.550 119.800 -0.100 0.000 2.227 694 Q HA 0.154 4.494 4.340 0.000 0.000 0.245 694 Q C -0.517 175.561 176.000 0.129 0.000 0.926 694 Q CA -0.893 54.881 55.803 -0.048 0.000 0.895 694 Q CB 1.362 29.978 28.738 -0.203 0.000 1.230 694 Q HN 0.473 nan 8.270 nan 0.000 0.450 695 D N 0.301 120.772 120.400 0.119 0.000 2.581 695 D HA 0.014 4.654 4.640 0.000 0.000 0.238 695 D C 0.788 177.190 176.300 0.169 0.000 1.145 695 D CA 1.992 56.063 54.000 0.117 0.000 0.866 695 D CB 0.254 41.097 40.800 0.072 0.000 1.151 695 D HN 0.762 nan 8.370 nan 0.000 0.500 696 G N 3.184 112.034 108.800 0.083 0.000 2.157 696 G HA2 -0.200 3.760 3.960 0.000 0.000 0.248 696 G HA3 -0.200 3.760 3.960 0.000 0.000 0.248 696 G C 0.290 175.107 174.900 -0.139 0.000 0.979 696 G CA 0.227 45.310 45.100 -0.029 0.000 0.650 696 G HN 0.731 nan 8.290 nan 0.000 0.529 697 H N -0.169 118.896 119.070 -0.008 0.000 2.670 697 H HA 0.641 5.197 4.556 0.000 0.000 0.361 697 H C -0.649 174.670 175.328 -0.015 0.000 1.169 697 H CA -0.502 55.539 56.048 -0.012 0.000 1.198 697 H CB 2.196 31.951 29.762 -0.012 0.000 1.700 697 H HN 0.324 nan 8.280 nan 0.000 0.542 698 E N 0.901 121.167 120.200 0.111 0.000 2.234 698 E HA 0.551 4.901 4.350 0.000 0.000 0.266 698 E C -1.521 175.104 176.600 0.041 0.000 0.877 698 E CA -0.967 55.461 56.400 0.046 0.000 0.758 698 E CB 1.761 31.464 29.700 0.005 0.000 1.170 698 E HN 0.704 nan 8.360 nan 0.000 0.415 699 A N 3.542 126.375 122.820 0.021 0.000 2.304 699 A HA 0.591 4.911 4.320 0.000 0.000 0.323 699 A C -0.940 176.636 177.584 -0.014 0.000 1.195 699 A CA -0.563 51.482 52.037 0.014 0.000 0.826 699 A CB 1.207 20.224 19.000 0.029 0.000 1.184 699 A HN 0.371 nan 8.150 nan 0.000 0.496 700 V N 1.468 121.373 119.914 -0.015 0.000 2.555 700 V HA 0.501 4.621 4.120 0.000 0.000 0.302 700 V C -0.414 175.671 176.094 -0.015 0.000 1.038 700 V CA -0.598 61.676 62.300 -0.044 0.000 0.887 700 V CB 1.439 33.233 31.823 -0.049 0.000 0.991 700 V HN 1.038 nan 8.190 nan 0.000 0.434 701 C N 4.743 124.015 119.300 -0.046 0.000 2.396 701 C HA 0.675 5.135 4.460 0.000 0.000 0.321 701 C C -0.390 174.597 174.990 -0.005 0.000 1.233 701 C CA -0.351 58.688 59.018 0.036 0.000 1.440 701 C CB 0.529 28.351 27.740 0.137 0.000 2.110 701 C HN 1.001 nan 8.230 nan 0.000 0.473 702 E N 4.334 124.562 120.200 0.047 0.000 2.191 702 E HA 0.455 4.805 4.350 0.000 0.000 0.263 702 E C -1.062 175.607 176.600 0.114 0.000 0.881 702 E CA -0.553 55.869 56.400 0.036 0.000 0.757 702 E CB 1.963 31.665 29.700 0.002 0.000 1.147 702 E HN 0.512 nan 8.360 nan 0.000 0.414 703 V N 4.897 124.927 119.914 0.193 0.000 2.432 703 V HA 0.280 4.400 4.120 0.000 0.000 0.275 703 V C -1.990 174.230 176.094 0.210 0.000 1.043 703 V CA -1.763 60.679 62.300 0.235 0.000 0.925 703 V CB 0.752 32.803 31.823 0.380 0.000 0.985 703 V HN 0.582 nan 8.190 nan 0.000 0.466 704 P HA 0.447 nan 4.420 nan 0.000 0.284 704 P C -0.407 177.107 177.300 0.356 0.000 1.258 704 P CA -0.361 62.882 63.100 0.239 0.000 0.824 704 P CB 1.395 33.245 31.700 0.249 0.000 1.038 705 A N 2.082 125.049 122.820 0.245 0.000 2.267 705 A HA 0.473 4.793 4.320 0.000 0.000 0.271 705 A C 1.803 179.544 177.584 0.261 0.000 1.131 705 A CA 0.349 52.496 52.037 0.184 0.000 0.818 705 A CB -0.794 18.248 19.000 0.070 0.000 1.118 705 A HN 0.527 nan 8.150 nan 0.000 0.501 706 A N -0.146 122.705 122.820 0.051 0.000 1.940 706 A HA -0.160 4.160 4.320 0.000 0.000 0.219 706 A C 1.325 179.008 177.584 0.166 0.000 1.176 706 A CA 2.176 54.187 52.037 -0.044 0.000 0.631 706 A CB -0.701 18.217 19.000 -0.138 0.000 0.814 706 A HN 0.870 nan 8.150 nan 0.000 0.446 707 D N -2.299 118.215 120.400 0.190 0.000 2.325 707 D HA 0.294 4.934 4.640 0.000 0.000 0.225 707 D C 1.146 177.596 176.300 0.250 0.000 1.096 707 D CA 0.826 54.952 54.000 0.210 0.000 0.844 707 D CB -0.607 40.262 40.800 0.116 0.000 0.925 707 D HN 0.751 nan 8.370 nan 0.000 0.513 708 G N 0.448 109.476 108.800 0.380 0.000 2.234 708 G HA2 -0.328 3.632 3.960 0.000 0.000 0.260 708 G HA3 -0.328 3.632 3.960 0.000 0.000 0.260 708 G C 0.503 175.479 174.900 0.126 0.000 0.987 708 G CA 0.545 45.788 45.100 0.239 0.000 0.625 708 G HN 0.815 nan 8.290 nan 0.000 0.532 709 S N -0.410 115.359 115.700 0.115 0.000 2.585 709 S HA 0.578 5.048 4.470 0.000 0.000 0.273 709 S C 0.419 175.066 174.600 0.079 0.000 1.339 709 S CA -0.166 58.077 58.200 0.071 0.000 1.028 709 S CB 2.209 65.442 63.200 0.055 0.000 0.906 709 S HN 1.032 nan 8.310 nan 0.000 0.528 710 V N 3.263 123.208 119.914 0.051 0.000 2.455 710 V HA 0.175 4.295 4.120 0.000 0.000 0.273 710 V C 1.141 177.269 176.094 0.057 0.000 1.045 710 V CA -0.122 62.212 62.300 0.056 0.000 0.976 710 V CB 0.475 32.312 31.823 0.023 0.000 0.993 710 V HN 0.993 nan 8.190 nan 0.000 0.475 711 I N 4.124 124.743 120.570 0.082 0.000 3.265 711 I HA 0.257 4.427 4.170 0.000 0.000 0.282 711 I C 0.044 176.258 176.117 0.161 0.000 1.207 711 I CA 0.684 62.016 61.300 0.054 0.000 1.449 711 I CB 0.515 38.471 38.000 -0.073 0.000 1.121 711 I HN 0.546 nan 8.210 nan 0.000 0.442 712 F N 0.207 120.157 119.950 0.001 0.000 2.588 712 F HA 0.419 4.946 4.527 0.000 0.000 0.314 712 F C -0.959 174.833 175.800 -0.013 0.000 1.134 712 F CA -0.585 57.415 58.000 0.001 0.000 0.961 712 F CB 1.730 40.755 39.000 0.041 0.000 1.239 712 F HN -0.388 nan 8.300 nan 0.000 0.448 713 T N 7.024 121.154 114.554 -0.707 0.000 2.809 713 T HA 0.560 4.910 4.350 0.000 0.000 0.284 713 T C -1.388 172.708 174.700 -1.007 0.000 0.992 713 T CA -0.402 61.321 62.100 -0.627 0.000 0.957 713 T CB 1.266 69.934 68.868 -0.334 0.000 0.942 713 T HN 0.511 nan 8.240 nan 0.000 0.439 714 L N 4.006 124.730 121.223 -0.832 0.000 2.307 714 L HA 0.582 4.922 4.340 0.000 0.000 0.284 714 L C -0.638 175.984 176.870 -0.414 0.000 1.023 714 L CA -0.267 54.113 54.840 -0.767 0.000 0.810 714 L CB 0.860 42.318 42.059 -1.002 0.000 1.231 714 L HN 0.479 nan 8.230 nan 0.000 0.423 715 K N 4.571 124.787 120.400 -0.305 0.000 2.345 715 K HA 0.818 5.138 4.320 0.000 0.000 0.255 715 K C -1.238 175.289 176.600 -0.121 0.000 0.934 715 K CA -0.797 55.386 56.287 -0.173 0.000 0.801 715 K CB 2.076 34.496 32.500 -0.132 0.000 1.137 715 K HN 0.615 nan 8.250 nan 0.000 0.424 716 A N 1.832 124.605 122.820 -0.077 0.000 2.304 716 A HA 0.736 5.056 4.320 0.000 0.000 0.314 716 A C -0.958 176.618 177.584 -0.013 0.000 1.187 716 A CA -0.636 51.379 52.037 -0.037 0.000 0.810 716 A CB 1.147 20.134 19.000 -0.023 0.000 1.183 716 A HN 0.733 nan 8.150 nan 0.000 0.487 717 A N 2.692 125.508 122.820 -0.006 0.000 2.343 717 A HA 0.764 5.084 4.320 0.000 0.000 0.316 717 A C -0.105 177.489 177.584 0.016 0.000 1.104 717 A CA -0.669 51.372 52.037 0.006 0.000 0.768 717 A CB 0.856 19.852 19.000 -0.006 0.000 1.213 717 A HN 0.878 nan 8.150 nan 0.000 0.456 718 R N 1.298 121.817 120.500 0.032 0.000 2.255 718 R HA 0.488 4.828 4.340 0.000 0.000 0.326 718 R C 0.508 176.825 176.300 0.028 0.000 0.986 718 R CA 0.415 56.535 56.100 0.033 0.000 0.847 718 R CB 1.135 31.464 30.300 0.049 0.000 1.111 718 R HN 0.769 nan 8.270 nan 0.000 0.452 719 T N 0.936 115.501 114.554 0.018 0.000 3.040 719 T HA 0.352 4.702 4.350 0.000 0.000 0.266 719 T C 0.497 175.204 174.700 0.013 0.000 1.005 719 T CA 0.631 62.738 62.100 0.011 0.000 0.906 719 T CB 0.565 69.435 68.868 0.004 0.000 1.082 719 T HN 0.710 nan 8.240 nan 0.000 0.531 720 G N 1.077 109.887 108.800 0.017 0.000 3.394 720 G HA2 0.161 4.121 3.960 0.000 0.000 0.132 720 G HA3 0.161 4.121 3.960 0.000 0.000 0.132 720 G C 0.058 174.969 174.900 0.018 0.000 1.220 720 G CA -0.163 44.947 45.100 0.017 0.000 1.421 720 G HN 0.204 nan 8.290 nan 0.000 0.711 721 N N 1.072 119.781 118.700 0.015 0.000 2.214 721 N HA 0.261 5.001 4.740 0.000 0.000 0.214 721 N C -0.555 174.963 175.510 0.013 0.000 1.132 721 N CA 0.283 53.342 53.050 0.014 0.000 0.856 721 N CB 1.145 39.639 38.487 0.012 0.000 1.020 721 N HN 0.201 nan 8.380 nan 0.000 0.509 722 T N 2.257 116.819 114.554 0.013 0.000 2.772 722 T HA 0.453 4.803 4.350 0.000 0.000 0.288 722 T C 0.287 174.996 174.700 0.014 0.000 0.994 722 T CA -0.547 61.560 62.100 0.012 0.000 0.951 722 T CB 0.933 69.807 68.868 0.010 0.000 0.933 722 T HN 0.050 nan 8.240 nan 0.000 0.447 723 I N 1.251 121.829 120.570 0.014 0.000 2.339 723 I HA 0.524 4.694 4.170 0.000 0.000 0.290 723 I C -0.133 175.993 176.117 0.014 0.000 0.994 723 I CA -0.717 60.592 61.300 0.014 0.000 1.191 723 I CB 1.183 39.192 38.000 0.015 0.000 1.343 723 I HN 0.318 nan 8.210 nan 0.000 0.458 724 T N 5.827 120.388 114.554 0.011 0.000 2.856 724 T HA 0.458 4.808 4.350 0.000 0.000 0.292 724 T C 0.078 174.782 174.700 0.007 0.000 0.980 724 T CA -0.330 61.776 62.100 0.010 0.000 1.091 724 T CB 1.874 70.745 68.868 0.004 0.000 0.936 724 T HN 0.465 nan 8.240 nan 0.000 0.503 725 V N 4.325 124.251 119.914 0.020 0.000 2.409 725 V HA 0.448 4.568 4.120 0.000 0.000 0.290 725 V C 0.105 176.218 176.094 0.032 0.000 1.017 725 V CA -0.965 61.347 62.300 0.021 0.000 0.841 725 V CB 1.402 33.266 31.823 0.068 0.000 1.003 725 V HN 1.087 nan 8.190 nan 0.000 0.426 726 T N 1.551 116.091 114.554 -0.023 0.000 2.807 726 T HA 0.756 5.107 4.350 0.000 0.000 0.279 726 T C 0.266 174.897 174.700 -0.116 0.000 0.993 726 T CA -0.562 61.525 62.100 -0.022 0.000 0.970 726 T CB 1.864 70.711 68.868 -0.034 0.000 0.950 726 T HN 0.803 nan 8.240 nan 0.000 0.441 727 G N 0.782 109.563 108.800 -0.031 0.000 2.410 727 G HA2 0.713 4.673 3.960 0.000 0.000 0.330 727 G HA3 0.713 4.673 3.960 0.000 0.000 0.330 727 G C -1.003 173.845 174.900 -0.088 0.000 1.142 727 G CA -1.043 43.942 45.100 -0.193 0.000 0.902 727 G HN 1.134 nan 8.290 nan 0.000 0.491 728 A N 0.104 122.757 122.820 -0.278 0.000 2.488 728 A HA 0.978 5.298 4.320 0.000 0.000 0.298 728 A C 0.432 178.066 177.584 0.083 0.000 1.044 728 A CA 0.507 52.522 52.037 -0.038 0.000 0.693 728 A CB 1.227 20.176 19.000 -0.085 0.000 1.272 728 A HN 2.635 nan 8.150 nan 0.000 0.402 729 G N 0.704 109.631 108.800 0.211 0.000 2.475 729 G HA2 0.047 4.007 3.960 0.000 0.000 0.223 729 G HA3 0.047 4.007 3.960 0.000 0.000 0.223 729 G C -0.235 174.863 174.900 0.330 0.000 1.201 729 G CA 0.145 45.394 45.100 0.249 0.000 0.962 729 G HN 1.255 nan 8.290 nan 0.000 0.586 730 E N 0.539 120.894 120.200 0.259 0.000 2.165 730 E HA 0.643 4.993 4.350 0.000 0.000 0.266 730 E C -0.169 176.410 176.600 -0.034 0.000 0.889 730 E CA -0.170 56.293 56.400 0.105 0.000 0.756 730 E CB 1.176 30.894 29.700 0.031 0.000 1.131 730 E HN 1.614 nan 8.360 nan 0.000 0.411 731 A N 3.939 126.654 122.820 -0.176 0.000 2.612 731 A HA 0.726 5.046 4.320 0.000 0.000 0.293 731 A C -1.574 176.065 177.584 0.092 0.000 1.075 731 A CA -0.848 51.071 52.037 -0.196 0.000 0.680 731 A CB 1.832 20.150 19.000 -1.137 0.000 1.279 731 A HN 0.498 nan 8.150 nan 0.000 0.411 732 K N 0.861 121.373 120.400 0.188 0.000 2.498 732 K HA 0.524 4.844 4.320 0.000 0.000 0.254 732 K C 0.046 176.727 176.600 0.136 0.000 0.933 732 K CA -0.210 56.157 56.287 0.133 0.000 0.806 732 K CB 1.478 34.011 32.500 0.054 0.000 1.301 732 K HN 0.862 nan 8.250 nan 0.000 0.432 733 N N 2.235 120.942 118.700 0.011 0.000 2.735 733 N HA -0.143 4.597 4.740 0.000 0.000 0.248 733 N C -0.977 174.576 175.510 0.072 0.000 1.083 733 N CA 0.499 53.539 53.050 -0.017 0.000 0.703 733 N CB -0.135 38.351 38.487 -0.001 0.000 1.005 733 N HN 0.586 nan 8.380 nan 0.000 0.550 734 W N -0.234 121.100 121.300 0.057 0.000 2.415 734 W HA 0.689 5.349 4.660 0.000 0.000 0.355 734 W C -0.492 176.119 176.519 0.154 0.000 1.161 734 W CA -0.515 56.917 57.345 0.144 0.000 1.315 734 W CB 0.563 30.231 29.460 0.347 0.000 1.261 734 W HN -0.097 nan 8.180 nan 0.000 0.636 735 T N 2.734 117.638 114.554 0.583 0.000 2.900 735 T HA 0.502 4.852 4.350 0.000 0.000 0.295 735 T C -1.214 173.777 174.700 0.484 0.000 1.044 735 T CA -0.725 61.576 62.100 0.334 0.000 0.995 735 T CB 1.668 70.629 68.868 0.154 0.000 1.072 735 T HN 0.422 nan 8.240 nan 0.000 0.473 736 L N 2.920 124.318 121.223 0.292 0.000 2.372 736 L HA 0.615 4.955 4.340 0.000 0.000 0.274 736 L C -0.795 176.080 176.870 0.007 0.000 0.988 736 L CA -0.653 54.314 54.840 0.212 0.000 0.833 736 L CB 1.072 43.281 42.059 0.250 0.000 1.236 736 L HN 0.795 nan 8.230 nan 0.000 0.410 737 C N 6.577 125.780 119.300 -0.162 0.000 2.295 737 C HA 0.475 4.935 4.460 0.000 0.000 0.331 737 C C 0.213 175.109 174.990 -0.156 0.000 1.280 737 C CA -0.748 58.146 59.018 -0.207 0.000 1.746 737 C CB 0.057 27.559 27.740 -0.396 0.000 2.328 737 C HN 0.737 nan 8.230 nan 0.000 0.521 738 L N 8.066 129.236 121.223 -0.089 0.000 2.302 738 L HA 0.388 4.728 4.340 0.000 0.000 0.285 738 L C 0.594 177.415 176.870 -0.083 0.000 1.090 738 L CA -0.234 54.560 54.840 -0.076 0.000 0.866 738 L CB -0.289 41.749 42.059 -0.033 0.000 1.244 738 L HN 0.624 nan 8.230 nan 0.000 0.435 739 R N 3.416 123.824 120.500 -0.153 0.000 2.570 739 R HA 0.016 4.356 4.340 0.000 0.000 0.277 739 R C 0.646 176.927 176.300 -0.032 0.000 1.039 739 R CA -0.070 55.957 56.100 -0.123 0.000 1.065 739 R CB 0.128 30.240 30.300 -0.313 0.000 0.964 739 R HN 0.614 nan 8.270 nan 0.000 0.428 740 N N -0.391 118.316 118.700 0.012 0.000 2.753 740 N HA -0.168 4.572 4.740 0.000 0.000 0.251 740 N C -0.847 174.676 175.510 0.022 0.000 1.097 740 N CA 1.081 54.151 53.050 0.034 0.000 0.786 740 N CB -0.745 37.778 38.487 0.059 0.000 1.137 740 N HN 0.288 nan 8.380 nan 0.000 0.566 741 V N 1.665 121.583 119.914 0.008 0.000 2.275 741 V HA 0.155 4.275 4.120 0.000 0.000 0.272 741 V C 1.918 178.017 176.094 0.008 0.000 1.028 741 V CA -0.383 61.922 62.300 0.007 0.000 0.810 741 V CB 1.283 33.105 31.823 -0.001 0.000 1.043 741 V HN 0.073 nan 8.190 nan 0.000 0.453 742 V N 1.583 121.505 119.914 0.013 0.000 2.255 742 V HA -0.040 4.080 4.120 0.000 0.000 0.247 742 V C 0.913 177.012 176.094 0.010 0.000 1.051 742 V CA 1.401 63.709 62.300 0.013 0.000 1.018 742 V CB -0.389 31.443 31.823 0.016 0.000 0.641 742 V HN 0.718 nan 8.190 nan 0.000 0.445 743 K N -0.792 119.613 120.400 0.009 0.000 2.464 743 K HA 0.640 4.960 4.320 0.000 0.000 0.253 743 K C -1.718 174.886 176.600 0.007 0.000 0.933 743 K CA -0.535 55.757 56.287 0.007 0.000 0.801 743 K CB 2.992 35.497 32.500 0.008 0.000 1.271 743 K HN 0.100 nan 8.250 nan 0.000 0.430 744 V N 2.578 122.495 119.914 0.006 0.000 2.994 744 V HA 0.171 4.291 4.120 0.000 0.000 0.318 744 V C 0.947 177.044 176.094 0.005 0.000 1.085 744 V CA -0.400 61.903 62.300 0.006 0.000 0.998 744 V CB 1.762 33.588 31.823 0.005 0.000 1.063 744 V HN 0.995 nan 8.190 nan 0.000 0.447 745 N N 1.835 120.539 118.700 0.006 0.000 2.173 745 N HA 0.216 4.956 4.740 0.000 0.000 0.184 745 N C 0.297 175.809 175.510 0.004 0.000 1.025 745 N CA 1.482 54.535 53.050 0.005 0.000 0.852 745 N CB 0.095 38.586 38.487 0.006 0.000 0.998 745 N HN 0.842 nan 8.380 nan 0.000 0.427 746 G N -0.899 107.904 108.800 0.004 0.000 2.682 746 G HA2 0.633 4.593 3.960 0.000 0.000 0.290 746 G HA3 0.633 4.593 3.960 0.000 0.000 0.290 746 G C -2.071 172.831 174.900 0.003 0.000 1.425 746 G CA -0.609 44.493 45.100 0.003 0.000 0.807 746 G HN 0.147 nan 8.290 nan 0.000 0.482 747 L N 0.738 121.963 121.223 0.002 0.000 2.614 747 L HA 0.373 4.713 4.340 0.000 0.000 0.264 747 L C -0.895 175.976 176.870 0.000 0.000 0.940 747 L CA -0.838 54.002 54.840 0.002 0.000 0.903 747 L CB 2.330 44.388 42.059 -0.002 0.000 1.306 747 L HN 0.689 nan 8.230 nan 0.000 0.410 748 Q N 1.623 121.424 119.800 0.002 0.000 2.266 748 Q HA 0.385 4.725 4.340 0.000 0.000 0.261 748 Q C -0.688 175.311 176.000 -0.001 0.000 0.985 748 Q CA -0.703 55.101 55.803 0.001 0.000 0.873 748 Q CB 2.079 30.820 28.738 0.004 0.000 1.306 748 Q HN 0.593 nan 8.270 nan 0.000 0.447 749 D N -0.067 120.329 120.400 -0.007 0.000 2.983 749 D HA -0.140 4.500 4.640 0.000 0.000 0.225 749 D C -0.249 176.034 176.300 -0.028 0.000 1.174 749 D CA 1.920 55.913 54.000 -0.013 0.000 0.831 749 D CB -1.148 39.651 40.800 -0.002 0.000 1.104 749 D HN 0.870 nan 8.370 nan 0.000 0.421 750 G N -1.326 107.457 108.800 -0.028 0.000 2.690 750 G HA2 0.597 4.557 3.960 0.000 0.000 0.293 750 G HA3 0.597 4.557 3.960 0.000 0.000 0.293 750 G C -0.672 174.205 174.900 -0.037 0.000 1.399 750 G CA 0.075 45.150 45.100 -0.043 0.000 0.890 750 G HN 0.326 nan 8.290 nan 0.000 0.485 751 S N -0.678 114.994 115.700 -0.047 0.000 2.681 751 S HA 0.816 5.286 4.470 0.000 0.000 0.299 751 S C -0.333 174.250 174.600 -0.029 0.000 1.113 751 S CA -0.407 57.772 58.200 -0.036 0.000 1.013 751 S CB 1.887 65.061 63.200 -0.043 0.000 1.076 751 S HN 1.071 nan 8.310 nan 0.000 0.534 752 Q N 0.565 120.353 119.800 -0.020 0.000 2.456 752 Q HA 0.822 5.162 4.340 0.000 0.000 0.283 752 Q C -1.486 174.507 176.000 -0.010 0.000 1.084 752 Q CA -1.518 54.277 55.803 -0.013 0.000 0.801 752 Q CB 1.993 30.727 28.738 -0.008 0.000 1.434 752 Q HN 1.098 nan 8.270 nan 0.000 0.419 753 A N 1.259 124.075 122.820 -0.006 0.000 2.540 753 A HA 0.479 4.799 4.320 0.000 0.000 0.297 753 A C -1.253 176.332 177.584 0.002 0.000 1.056 753 A CA -0.722 51.313 52.037 -0.002 0.000 0.700 753 A CB 1.798 20.796 19.000 -0.003 0.000 1.280 753 A HN 0.792 nan 8.150 nan 0.000 0.398 754 E N 0.592 120.795 120.200 0.005 0.000 2.408 754 E HA 0.466 4.816 4.350 0.000 0.000 0.259 754 E C 0.391 177.000 176.600 0.015 0.000 1.110 754 E CA 0.902 57.308 56.400 0.010 0.000 0.929 754 E CB 0.632 30.338 29.700 0.012 0.000 0.971 754 E HN 0.884 nan 8.360 nan 0.000 0.438 755 S N 0.605 116.318 115.700 0.020 0.000 2.565 755 S HA 0.145 4.615 4.470 0.000 0.000 0.269 755 S C 0.517 175.140 174.600 0.038 0.000 1.153 755 S CA -0.938 57.281 58.200 0.031 0.000 0.835 755 S CB 1.568 64.790 63.200 0.036 0.000 1.122 755 S HN 0.630 nan 8.310 nan 0.000 0.462 756 E N 0.388 120.617 120.200 0.048 0.000 2.204 756 E HA -0.179 4.171 4.350 0.000 0.000 0.195 756 E C 1.415 178.052 176.600 0.061 0.000 0.990 756 E CA 1.254 57.686 56.400 0.053 0.000 0.821 756 E CB -0.025 29.712 29.700 0.062 0.000 0.750 756 E HN 0.748 nan 8.360 nan 0.000 0.477 757 Q N -0.906 118.937 119.800 0.071 0.000 2.432 757 Q HA 0.116 4.456 4.340 0.000 0.000 0.205 757 Q C 0.217 176.246 176.000 0.049 0.000 0.945 757 Q CA 0.508 56.359 55.803 0.079 0.000 0.924 757 Q CB 0.738 29.546 28.738 0.117 0.000 1.016 757 Q HN 0.286 nan 8.270 nan 0.000 0.503 758 G N -0.371 108.449 108.800 0.033 0.000 2.347 758 G HA2 -0.002 3.958 3.960 0.000 0.000 0.321 758 G HA3 -0.002 3.958 3.960 0.000 0.000 0.321 758 G C -1.934 172.967 174.900 0.001 0.000 1.412 758 G CA -1.082 44.024 45.100 0.010 0.000 0.990 758 G HN 0.053 nan 8.290 nan 0.000 0.637 759 L N -0.054 121.166 121.223 -0.006 0.000 2.485 759 L HA 0.525 4.865 4.340 0.000 0.000 0.275 759 L C 0.457 177.317 176.870 -0.017 0.000 1.207 759 L CA 0.180 55.016 54.840 -0.006 0.000 0.855 759 L CB 1.092 43.148 42.059 -0.004 0.000 1.114 759 L HN 0.546 nan 8.230 nan 0.000 0.485 760 V N 5.723 125.630 119.914 -0.011 0.000 2.384 760 V HA 0.437 4.557 4.120 0.000 0.000 0.287 760 V C -0.349 175.742 176.094 -0.006 0.000 1.020 760 V CA -0.690 61.601 62.300 -0.015 0.000 0.850 760 V CB 1.626 33.443 31.823 -0.010 0.000 0.987 760 V HN 0.492 nan 8.190 nan 0.000 0.436 761 V N 4.906 124.823 119.914 0.005 0.000 2.459 761 V HA 0.476 4.596 4.120 0.000 0.000 0.295 761 V C -0.070 176.016 176.094 -0.013 0.000 1.029 761 V CA -0.859 61.441 62.300 0.001 0.000 0.874 761 V CB 1.882 33.715 31.823 0.017 0.000 0.985 761 V HN 0.841 nan 8.190 nan 0.000 0.438 762 K N 7.204 127.568 120.400 -0.060 0.000 2.265 762 K HA 0.529 4.849 4.320 0.000 0.000 0.267 762 K C -2.532 173.953 176.600 -0.192 0.000 0.994 762 K CA -1.886 54.317 56.287 -0.140 0.000 0.860 762 K CB 1.963 34.391 32.500 -0.119 0.000 1.099 762 K HN 0.416 nan 8.250 nan 0.000 0.448 763 P HA 0.072 nan 4.420 nan 0.000 0.277 763 P C -1.596 175.559 177.300 -0.241 0.000 1.271 763 P CA -0.196 62.733 63.100 -0.285 0.000 0.795 763 P CB 0.945 32.363 31.700 -0.469 0.000 1.101 764 Q N -0.703 119.012 119.800 -0.142 0.000 2.593 764 Q HA 0.411 4.751 4.340 0.000 0.000 0.242 764 Q C -0.054 175.919 176.000 -0.045 0.000 0.944 764 Q CA -0.104 55.639 55.803 -0.100 0.000 1.041 764 Q CB 0.602 29.285 28.738 -0.091 0.000 1.588 764 Q HN 0.783 nan 8.270 nan 0.000 0.464 765 G N 2.862 111.649 108.800 -0.020 0.000 2.279 765 G HA2 -0.313 3.647 3.960 0.000 0.000 0.223 765 G HA3 -0.313 3.647 3.960 0.000 0.000 0.223 765 G C 0.378 175.295 174.900 0.028 0.000 1.015 765 G CA 0.036 45.138 45.100 0.004 0.000 0.621 765 G HN 1.045 nan 8.290 nan 0.000 0.506 766 N N -0.335 118.388 118.700 0.039 0.000 2.669 766 N HA -0.051 4.689 4.740 0.000 0.000 0.266 766 N C 1.169 176.714 175.510 0.057 0.000 1.024 766 N CA 1.899 54.995 53.050 0.078 0.000 0.766 766 N CB -1.035 37.533 38.487 0.136 0.000 0.898 766 N HN 1.586 nan 8.380 nan 0.000 0.548 767 A N 1.008 123.852 122.820 0.040 0.000 2.014 767 A HA 0.216 4.536 4.320 0.000 0.000 0.210 767 A C 0.808 178.417 177.584 0.041 0.000 1.188 767 A CA 0.223 52.281 52.037 0.034 0.000 0.731 767 A CB 0.148 19.161 19.000 0.021 0.000 0.858 767 A HN 0.691 nan 8.150 nan 0.000 0.464 768 L N 1.825 123.074 121.223 0.043 0.000 4.565 768 L HA -0.118 4.222 4.340 0.000 0.000 0.564 768 L C 0.172 177.066 176.870 0.039 0.000 0.938 768 L CA 1.552 56.417 54.840 0.042 0.000 0.497 768 L CB -1.156 40.943 42.059 0.068 0.000 0.561 768 L HN 0.654 nan 8.230 nan 0.000 1.123 769 T N 5.317 119.886 114.554 0.026 0.000 2.916 769 T HA 0.747 5.097 4.350 0.000 0.000 0.298 769 T C -0.427 174.283 174.700 0.017 0.000 1.031 769 T CA -1.094 61.019 62.100 0.021 0.000 0.993 769 T CB 1.325 70.203 68.868 0.016 0.000 1.045 769 T HN 0.482 nan 8.240 nan 0.000 0.454 770 I N 3.229 123.810 120.570 0.017 0.000 2.392 770 I HA 0.381 4.551 4.170 0.000 0.000 0.295 770 I C 0.190 176.314 176.117 0.011 0.000 0.985 770 I CA -0.684 60.624 61.300 0.014 0.000 1.221 770 I CB 1.259 39.268 38.000 0.015 0.000 1.366 770 I HN 0.750 nan 8.210 nan 0.000 0.467 771 T N 6.400 120.960 114.554 0.009 0.000 2.770 771 T HA 0.461 4.811 4.350 0.000 0.000 0.297 771 T C 0.135 174.840 174.700 0.009 0.000 0.997 771 T CA -0.614 61.492 62.100 0.009 0.000 0.949 771 T CB 0.982 69.854 68.868 0.007 0.000 0.941 771 T HN 0.139 nan 8.240 nan 0.000 0.457 772 L N 3.184 124.413 121.223 0.010 0.000 2.417 772 L HA 0.338 4.678 4.340 0.000 0.000 0.268 772 L C 1.711 178.587 176.870 0.009 0.000 1.158 772 L CA -0.122 54.724 54.840 0.010 0.000 0.819 772 L CB -1.161 40.904 42.059 0.011 0.000 1.112 772 L HN 1.010 nan 8.230 nan 0.000 0.458 773 H N 0.000 119.075 119.070 0.009 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.053 56.048 0.009 0.000 1.023 773 H CB 0.000 29.768 29.762 0.009 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496