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 1jkf_1_A DATA FIRST_RESID 11 DATA SEQUENCE SVKVVTDKCT YKDNELLTKY SYENAVVTKT ASGRFDVTPT VQDYVFKLDL DATA SEQUENCE KKPEKLGIML IGLGGNNGST LVASVLANKH NVEFQTKEGV KQPNYFGSMT DATA SEQUENCE QCSTLKLGID AEGNDVYAPF NSLLPMVSPN DFVVSGWDIN NADLYEAMQR DATA SEQUENCE SQVLEYDLQQ RLKAKMSLVK PLPSIYYPDF IAANQDERAN NCINLDEKGN DATA SEQUENCE VTTRGKWTHL QRIRRDIQNF KEENALDKVI VLWTANTERY VEVSPGVNDT DATA SEQUENCE MENLLQSIKN DHEEIAPSTI FAAASILEGV PYINGSPQNT FVPGLVQLAE DATA SEQUENCE HEGTFIAGDD LKSGQTKLKS VLAQFLVDAG IKPVSIASYN HXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGD DATA SEQUENCE SKVAMDEYYS ELMLGGHNRI SIHNVCEDSL LATPLIIDLL VMTEFCTRVS DATA SEQUENCE YKKVDPVKED AGKFENFYPV LTFLSYWLKA PLTRPGFHPV NGLNKQRTAL DATA SEQUENCE ENFLRLLIGL PSQNELRFEE RLL 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.604 174.600 0.007 0.000 1.055 11 S CA 0.000 58.204 58.200 0.006 0.000 1.107 11 S CB 0.000 63.200 63.200 0.001 0.000 0.593 12 V N -0.608 119.310 119.914 0.008 0.000 2.888 12 V HA 0.992 5.113 4.120 0.002 0.000 0.309 12 V C -1.201 174.908 176.094 0.025 0.000 1.114 12 V CA -0.548 61.758 62.300 0.010 0.000 0.940 12 V CB 1.498 33.320 31.823 -0.001 0.000 1.021 12 V HN 1.495 nan 8.190 nan 0.000 0.426 13 K N 3.351 123.771 120.400 0.032 0.000 2.501 13 K HA 0.814 5.135 4.320 0.002 0.000 0.252 13 K C -2.157 174.473 176.600 0.051 0.000 0.934 13 K CA -0.734 55.590 56.287 0.062 0.000 0.797 13 K CB 2.492 35.031 32.500 0.064 0.000 1.270 13 K HN 1.158 nan 8.250 nan 0.000 0.431 14 V N 4.358 124.307 119.914 0.059 0.000 2.459 14 V HA 0.388 4.509 4.120 0.002 0.000 0.295 14 V C -0.851 175.268 176.094 0.042 0.000 1.029 14 V CA -0.690 61.633 62.300 0.038 0.000 0.874 14 V CB 1.733 33.569 31.823 0.021 0.000 0.985 14 V HN 0.714 nan 8.190 nan 0.000 0.438 15 V N 7.018 126.953 119.914 0.035 0.000 2.324 15 V HA 0.282 4.403 4.120 0.002 0.000 0.244 15 V C 0.584 176.694 176.094 0.027 0.000 1.144 15 V CA 0.940 63.261 62.300 0.033 0.000 1.158 15 V CB -0.189 31.651 31.823 0.029 0.000 1.254 15 V HN 1.019 nan 8.190 nan 0.000 0.492 16 T N 1.737 116.305 114.554 0.023 0.000 2.900 16 T HA 0.301 4.652 4.350 0.002 0.000 0.303 16 T C 0.581 175.288 174.700 0.012 0.000 1.142 16 T CA -0.461 61.650 62.100 0.019 0.000 1.007 16 T CB 1.863 70.743 68.868 0.019 0.000 1.156 16 T HN 0.670 nan 8.240 nan 0.000 0.490 17 D N 1.909 122.319 120.400 0.016 0.000 2.350 17 D HA 0.044 4.685 4.640 0.002 0.000 0.213 17 D C 0.912 177.220 176.300 0.014 0.000 1.031 17 D CA 0.023 54.031 54.000 0.014 0.000 0.861 17 D CB 0.305 41.117 40.800 0.019 0.000 0.926 17 D HN 0.582 nan 8.370 nan 0.000 0.520 18 K N -0.071 120.342 120.400 0.021 0.000 2.444 18 K HA 0.159 4.481 4.320 0.002 0.000 0.193 18 K C 0.071 176.680 176.600 0.016 0.000 1.024 18 K CA 0.027 56.337 56.287 0.039 0.000 1.077 18 K CB 0.412 32.958 32.500 0.076 0.000 0.833 18 K HN 0.091 nan 8.250 nan 0.000 0.517 19 C N 1.556 120.831 119.300 -0.042 0.000 2.431 19 C HA 0.387 4.848 4.460 0.002 0.000 0.321 19 C C 0.020 174.879 174.990 -0.219 0.000 1.202 19 C CA -0.965 57.972 59.018 -0.135 0.000 1.398 19 C CB 1.289 28.910 27.740 -0.199 0.000 2.047 19 C HN 0.369 nan 8.230 nan 0.000 0.465 20 T N -0.027 114.391 114.554 -0.227 0.000 2.848 20 T HA 0.577 4.929 4.350 0.002 0.000 0.285 20 T C -1.113 173.450 174.700 -0.229 0.000 0.995 20 T CA -0.442 61.542 62.100 -0.193 0.000 0.970 20 T CB 0.596 69.434 68.868 -0.051 0.000 0.976 20 T HN 0.503 nan 8.240 nan 0.000 0.441 21 Y N 2.437 122.742 120.300 0.008 0.000 2.452 21 Y HA 0.391 4.942 4.550 0.002 0.000 0.348 21 Y C 1.318 177.213 175.900 -0.009 0.000 0.985 21 Y CA -0.605 57.492 58.100 -0.004 0.000 1.214 21 Y CB 1.030 39.487 38.460 -0.005 0.000 1.136 21 Y HN 0.730 nan 8.280 nan 0.000 0.523 22 K N 1.059 121.525 120.400 0.111 0.000 3.551 22 K HA 0.093 4.415 4.320 0.002 0.000 0.224 22 K C -0.411 176.218 176.600 0.048 0.000 1.133 22 K CA -0.369 55.949 56.287 0.053 0.000 1.644 22 K CB 0.116 32.617 32.500 0.002 0.000 2.278 22 K HN 0.473 nan 8.250 nan 0.000 0.616 23 D N 2.142 122.550 120.400 0.013 0.000 2.619 23 D HA 0.079 4.720 4.640 0.002 0.000 0.224 23 D C -0.778 175.522 176.300 0.000 0.000 1.133 23 D CA 0.323 54.324 54.000 0.002 0.000 1.017 23 D CB -0.761 40.030 40.800 -0.014 0.000 1.077 23 D HN 0.431 nan 8.370 nan 0.000 0.503 24 N N 2.184 120.895 118.700 0.018 0.000 2.696 24 N HA -0.229 4.513 4.740 0.002 0.000 0.256 24 N C -1.245 174.276 175.510 0.018 0.000 1.031 24 N CA 0.826 53.885 53.050 0.015 0.000 0.730 24 N CB -0.488 37.993 38.487 -0.011 0.000 0.894 24 N HN 0.420 nan 8.380 nan 0.000 0.544 25 E N 0.218 120.449 120.200 0.052 0.000 2.343 25 E HA 0.209 4.561 4.350 0.002 0.000 0.286 25 E C -0.978 175.646 176.600 0.041 0.000 0.915 25 E CA -0.660 55.746 56.400 0.011 0.000 0.784 25 E CB 1.431 31.096 29.700 -0.059 0.000 1.251 25 E HN 0.188 nan 8.360 nan 0.000 0.407 26 L N 4.051 125.288 121.223 0.024 0.000 2.305 26 L HA 0.346 4.687 4.340 0.002 0.000 0.281 26 L C -1.055 175.784 176.870 -0.051 0.000 1.085 26 L CA -0.616 54.197 54.840 -0.045 0.000 0.813 26 L CB 0.498 42.534 42.059 -0.039 0.000 1.157 26 L HN 0.317 nan 8.230 nan 0.000 0.436 27 L N 4.436 125.622 121.223 -0.062 0.000 2.319 27 L HA 0.462 4.803 4.340 0.002 0.000 0.281 27 L C -0.217 176.686 176.870 0.055 0.000 1.005 27 L CA -0.134 54.721 54.840 0.026 0.000 0.828 27 L CB 1.429 43.505 42.059 0.029 0.000 1.227 27 L HN 0.546 nan 8.230 nan 0.000 0.415 28 T N 3.488 118.139 114.554 0.161 0.000 2.824 28 T HA 0.428 4.779 4.350 0.002 0.000 0.282 28 T C -0.040 174.821 174.700 0.269 0.000 0.993 28 T CA -0.689 61.522 62.100 0.184 0.000 0.967 28 T CB 1.900 70.879 68.868 0.186 0.000 0.960 28 T HN 0.313 nan 8.240 nan 0.000 0.441 29 K N 2.541 123.069 120.400 0.215 0.000 2.211 29 K HA 0.438 4.759 4.320 0.002 0.000 0.275 29 K C -1.325 175.469 176.600 0.324 0.000 1.024 29 K CA -0.718 55.700 56.287 0.220 0.000 0.887 29 K CB 1.120 33.697 32.500 0.128 0.000 1.084 29 K HN 0.561 nan 8.250 nan 0.000 0.463 30 Y N 0.967 121.410 120.300 0.240 0.000 2.391 30 Y HA 0.218 4.769 4.550 0.002 0.000 0.341 30 Y C -0.696 175.372 175.900 0.280 0.000 0.965 30 Y CA -0.818 57.457 58.100 0.292 0.000 1.067 30 Y CB 2.053 40.790 38.460 0.463 0.000 1.199 30 Y HN 0.506 nan 8.280 nan 0.000 0.450 31 S N 6.540 121.927 115.700 -0.521 0.000 2.399 31 S HA 0.179 4.650 4.470 0.002 0.000 0.301 31 S C -1.004 173.171 174.600 -0.708 0.000 1.093 31 S CA -0.390 57.557 58.200 -0.421 0.000 1.077 31 S CB -0.442 62.616 63.200 -0.238 0.000 0.980 31 S HN 0.673 nan 8.310 nan 0.000 0.494 32 Y N 4.696 124.782 120.300 -0.357 0.000 2.632 32 Y HA 0.277 4.828 4.550 0.002 0.000 0.336 32 Y C 0.484 176.400 175.900 0.027 0.000 1.237 32 Y CA -0.460 57.630 58.100 -0.016 0.000 1.595 32 Y CB -0.065 38.686 38.460 0.484 0.000 1.508 32 Y HN 0.618 nan 8.280 nan 0.000 0.480 33 E N 3.833 123.852 120.200 -0.302 0.000 2.338 33 E HA 0.083 4.434 4.350 0.002 0.000 0.272 33 E C -0.537 175.786 176.600 -0.461 0.000 1.029 33 E CA 0.019 56.230 56.400 -0.315 0.000 0.872 33 E CB 0.915 30.527 29.700 -0.147 0.000 1.015 33 E HN 0.700 nan 8.360 nan 0.000 0.417 34 N N 0.485 118.964 118.700 -0.369 0.000 3.588 34 N HA 0.677 5.418 4.740 0.002 0.000 0.340 34 N C -2.215 173.210 175.510 -0.142 0.000 1.609 34 N CA -0.184 52.699 53.050 -0.278 0.000 0.811 34 N CB 1.589 39.846 38.487 -0.384 0.000 2.184 34 N HN 0.404 nan 8.380 nan 0.000 0.577 35 A N -0.088 122.680 122.820 -0.087 0.000 2.573 35 A HA 0.521 4.843 4.320 0.002 0.000 0.299 35 A C -1.776 175.791 177.584 -0.027 0.000 1.060 35 A CA -0.460 51.545 52.037 -0.053 0.000 0.736 35 A CB 0.531 19.503 19.000 -0.047 0.000 1.280 35 A HN 0.289 nan 8.150 nan 0.000 0.401 36 V N 1.785 121.688 119.914 -0.018 0.000 2.472 36 V HA 0.719 4.840 4.120 0.002 0.000 0.290 36 V C -0.081 176.014 176.094 0.003 0.000 1.037 36 V CA -0.383 61.913 62.300 -0.006 0.000 0.908 36 V CB 1.488 33.308 31.823 -0.004 0.000 0.985 36 V HN 1.407 nan 8.190 nan 0.000 0.454 37 V N 4.908 124.830 119.914 0.013 0.000 2.760 37 V HA 0.841 4.962 4.120 0.002 0.000 0.309 37 V C -0.162 175.971 176.094 0.064 0.000 1.077 37 V CA 0.056 62.383 62.300 0.045 0.000 0.910 37 V CB 2.544 34.398 31.823 0.053 0.000 1.008 37 V HN 1.053 nan 8.190 nan 0.000 0.424 38 T N 2.972 117.569 114.554 0.073 0.000 2.940 38 T HA 0.598 4.949 4.350 0.002 0.000 0.288 38 T C -0.673 174.066 174.700 0.066 0.000 1.033 38 T CA -0.798 61.332 62.100 0.051 0.000 1.033 38 T CB 1.897 70.774 68.868 0.016 0.000 1.079 38 T HN 0.812 nan 8.240 nan 0.000 0.496 39 K N 1.363 121.766 120.400 0.005 0.000 2.394 39 K HA 0.354 4.675 4.320 0.002 0.000 0.260 39 K C -0.343 176.174 176.600 -0.138 0.000 0.967 39 K CA -0.451 55.761 56.287 -0.125 0.000 0.855 39 K CB 1.650 34.051 32.500 -0.165 0.000 1.101 39 K HN 0.808 nan 8.250 nan 0.000 0.433 40 T N 1.817 116.274 114.554 -0.161 0.000 2.901 40 T HA 0.146 4.497 4.350 0.002 0.000 0.301 40 T C 0.285 174.913 174.700 -0.120 0.000 1.012 40 T CA -0.237 61.794 62.100 -0.115 0.000 1.135 40 T CB 0.365 69.175 68.868 -0.096 0.000 0.936 40 T HN 0.601 nan 8.240 nan 0.000 0.539 41 A N 4.278 127.049 122.820 -0.082 0.000 3.092 41 A HA 0.429 4.750 4.320 0.002 0.000 0.278 41 A C 1.331 178.872 177.584 -0.072 0.000 1.956 41 A CA 0.625 52.619 52.037 -0.071 0.000 1.501 41 A CB -1.065 17.905 19.000 -0.049 0.000 0.977 41 A HN 1.037 nan 8.150 nan 0.000 0.607 42 S N -0.079 115.564 115.700 -0.094 0.000 5.361 42 S HA 0.352 4.823 4.470 0.002 0.000 0.140 42 S C 1.057 175.585 174.600 -0.119 0.000 1.100 42 S CA 1.346 59.495 58.200 -0.086 0.000 1.373 42 S CB -0.706 62.449 63.200 -0.075 0.000 1.803 42 S HN 1.825 nan 8.310 nan 0.000 0.495 43 G N 1.925 110.618 108.800 -0.178 0.000 4.426 43 G HA2 0.151 4.112 3.960 0.002 0.000 0.182 43 G HA3 0.151 4.112 3.960 0.002 0.000 0.182 43 G C -0.221 174.409 174.900 -0.450 0.000 1.373 43 G CA 0.044 44.983 45.100 -0.268 0.000 0.879 43 G HN 0.499 nan 8.290 nan 0.000 0.294 44 R N 0.535 120.871 120.500 -0.275 0.000 2.503 44 R HA 0.054 4.396 4.340 0.002 0.000 0.271 44 R C -0.996 175.124 176.300 -0.301 0.000 0.960 44 R CA 0.634 56.606 56.100 -0.214 0.000 1.104 44 R CB -0.284 29.970 30.300 -0.077 0.000 0.879 44 R HN 0.156 nan 8.270 nan 0.000 0.420 45 F N 2.638 122.580 119.950 -0.013 0.000 2.427 45 F HA 0.235 4.764 4.527 0.002 0.000 0.346 45 F C 0.405 176.196 175.800 -0.015 0.000 1.120 45 F CA -0.518 57.473 58.000 -0.015 0.000 1.033 45 F CB 1.538 40.529 39.000 -0.015 0.000 1.126 45 F HN 0.290 nan 8.300 nan 0.000 0.462 46 D N 3.425 123.915 120.400 0.150 0.000 2.392 46 D HA 0.264 4.905 4.640 0.002 0.000 0.228 46 D C -0.737 175.607 176.300 0.074 0.000 1.074 46 D CA -0.064 53.985 54.000 0.082 0.000 0.838 46 D CB 2.371 43.194 40.800 0.039 0.000 1.067 46 D HN 0.142 nan 8.370 nan 0.000 0.511 47 V N 3.068 123.015 119.914 0.055 0.000 2.318 47 V HA 0.161 4.282 4.120 0.002 0.000 0.271 47 V C 0.434 176.532 176.094 0.008 0.000 1.030 47 V CA -0.229 62.086 62.300 0.025 0.000 0.844 47 V CB 1.300 33.128 31.823 0.007 0.000 1.015 47 V HN 0.431 nan 8.190 nan 0.000 0.460 48 T N 8.488 123.044 114.554 0.002 0.000 2.781 48 T HA 0.332 4.683 4.350 0.002 0.000 0.305 48 T C -2.297 172.391 174.700 -0.020 0.000 1.001 48 T CA -1.056 61.040 62.100 -0.007 0.000 0.950 48 T CB 1.248 70.112 68.868 -0.006 0.000 0.955 48 T HN 0.400 nan 8.240 nan 0.000 0.471 49 P HA 0.230 nan 4.420 nan 0.000 0.273 49 P C -0.051 177.218 177.300 -0.052 0.000 1.252 49 P CA -0.126 62.948 63.100 -0.043 0.000 0.809 49 P CB 0.520 32.195 31.700 -0.040 0.000 1.017 50 T N -1.196 113.310 114.554 -0.080 0.000 2.821 50 T HA 0.571 4.922 4.350 0.002 0.000 0.306 50 T C -1.266 173.359 174.700 -0.126 0.000 1.313 50 T CA -0.359 61.688 62.100 -0.089 0.000 1.012 50 T CB 1.064 69.879 68.868 -0.089 0.000 1.298 50 T HN 0.136 nan 8.240 nan 0.000 0.502 51 V N 1.349 121.199 119.914 -0.106 0.000 3.216 51 V HA 0.913 5.034 4.120 0.002 0.000 0.302 51 V C -1.639 174.408 176.094 -0.078 0.000 1.286 51 V CA -1.002 61.231 62.300 -0.112 0.000 1.048 51 V CB 2.069 33.836 31.823 -0.093 0.000 1.081 51 V HN 0.869 nan 8.190 nan 0.000 0.442 52 Q N 0.847 120.602 119.800 -0.074 0.000 2.942 52 Q HA 0.305 4.646 4.340 0.002 0.000 0.207 52 Q C -1.913 173.942 176.000 -0.242 0.000 0.819 52 Q CA -0.183 55.530 55.803 -0.150 0.000 1.231 52 Q CB 0.910 29.598 28.738 -0.083 0.000 1.639 52 Q HN 0.854 nan 8.270 nan 0.000 0.591 53 D N 2.515 122.766 120.400 -0.248 0.000 2.339 53 D HA 0.476 5.117 4.640 0.002 0.000 0.245 53 D C -0.715 175.388 176.300 -0.329 0.000 1.115 53 D CA 0.744 54.638 54.000 -0.176 0.000 0.917 53 D CB 0.543 41.282 40.800 -0.101 0.000 1.192 53 D HN 0.434 nan 8.370 nan 0.000 0.428 54 Y N -0.624 119.666 120.300 -0.016 0.000 2.534 54 Y HA 0.479 5.030 4.550 0.002 0.000 0.345 54 Y C -0.694 175.139 175.900 -0.111 0.000 1.031 54 Y CA -1.171 56.847 58.100 -0.137 0.000 1.022 54 Y CB 1.760 40.016 38.460 -0.340 0.000 1.292 54 Y HN 0.034 nan 8.280 nan 0.000 0.459 55 V N 3.851 123.772 119.914 0.012 0.000 2.350 55 V HA 0.344 4.465 4.120 0.002 0.000 0.285 55 V C -0.883 175.323 176.094 0.186 0.000 1.014 55 V CA -0.777 61.590 62.300 0.112 0.000 0.831 55 V CB 0.468 32.357 31.823 0.110 0.000 1.000 55 V HN 0.483 nan 8.190 nan 0.000 0.433 56 F N 3.709 123.863 119.950 0.339 0.000 2.385 56 F HA 0.550 5.079 4.527 0.002 0.000 0.336 56 F C 0.446 176.391 175.800 0.243 0.000 1.100 56 F CA -0.500 57.682 58.000 0.305 0.000 1.116 56 F CB 1.397 40.493 39.000 0.161 0.000 1.166 56 F HN 0.261 nan 8.300 nan 0.000 0.511 57 K N 4.300 124.932 120.400 0.386 0.000 2.413 57 K HA 0.456 4.777 4.320 0.002 0.000 0.257 57 K C -1.691 174.903 176.600 -0.010 0.000 0.946 57 K CA -0.583 55.717 56.287 0.022 0.000 0.823 57 K CB 1.254 33.502 32.500 -0.419 0.000 1.109 57 K HN 0.644 nan 8.250 nan 0.000 0.427 58 L N 4.337 125.523 121.223 -0.060 0.000 2.298 58 L HA 0.305 4.647 4.340 0.002 0.000 0.284 58 L C -0.706 176.093 176.870 -0.118 0.000 1.013 58 L CA -0.566 54.196 54.840 -0.129 0.000 0.824 58 L CB 1.388 43.354 42.059 -0.155 0.000 1.221 58 L HN 0.758 nan 8.230 nan 0.000 0.418 59 D N 5.145 125.463 120.400 -0.137 0.000 2.349 59 D HA 0.015 4.656 4.640 0.002 0.000 0.266 59 D C 1.089 177.338 176.300 -0.086 0.000 1.293 59 D CA 0.153 54.091 54.000 -0.103 0.000 0.926 59 D CB 0.994 41.733 40.800 -0.101 0.000 1.090 59 D HN 0.599 nan 8.370 nan 0.000 0.502 60 L N 3.868 125.067 121.223 -0.041 0.000 2.610 60 L HA -0.060 4.281 4.340 0.002 0.000 0.232 60 L C 1.257 178.121 176.870 -0.010 0.000 1.149 60 L CA 0.457 55.291 54.840 -0.010 0.000 0.872 60 L CB -0.203 41.874 42.059 0.029 0.000 0.992 60 L HN 0.257 nan 8.230 nan 0.000 0.447 61 K N 1.908 122.295 120.400 -0.020 0.000 2.389 61 K HA 0.205 4.526 4.320 0.002 0.000 0.261 61 K C -0.563 176.034 176.600 -0.004 0.000 1.014 61 K CA -0.639 55.642 56.287 -0.011 0.000 0.920 61 K CB 1.218 33.708 32.500 -0.016 0.000 1.149 61 K HN -0.028 nan 8.250 nan 0.000 0.444 62 K N 4.013 124.423 120.400 0.015 0.000 2.322 62 K HA 0.228 4.549 4.320 0.002 0.000 0.283 62 K C -2.338 174.278 176.600 0.028 0.000 1.042 62 K CA -1.287 55.020 56.287 0.033 0.000 0.958 62 K CB 0.007 32.541 32.500 0.058 0.000 0.984 62 K HN 0.287 nan 8.250 nan 0.000 0.473 63 P HA -0.045 nan 4.420 nan 0.000 0.266 63 P C 0.050 177.369 177.300 0.032 0.000 1.186 63 P CA 0.058 63.171 63.100 0.021 0.000 0.767 63 P CB 0.486 32.199 31.700 0.022 0.000 0.820 64 E N 0.487 120.700 120.200 0.022 0.000 2.216 64 E HA -0.070 4.281 4.350 0.002 0.000 0.192 64 E C -0.037 176.588 176.600 0.041 0.000 0.988 64 E CA 1.052 57.468 56.400 0.027 0.000 0.834 64 E CB 0.128 29.837 29.700 0.014 0.000 0.772 64 E HN 0.225 nan 8.360 nan 0.000 0.479 65 K N 0.754 121.175 120.400 0.035 0.000 2.637 65 K HA 0.309 4.630 4.320 0.002 0.000 0.248 65 K C -1.556 175.067 176.600 0.038 0.000 0.971 65 K CA -0.109 56.206 56.287 0.047 0.000 0.858 65 K CB 1.507 34.020 32.500 0.021 0.000 1.170 65 K HN -0.078 nan 8.250 nan 0.000 0.443 66 L N 2.915 124.179 121.223 0.069 0.000 2.265 66 L HA 0.572 4.913 4.340 0.002 0.000 0.288 66 L C 0.030 176.881 176.870 -0.031 0.000 1.058 66 L CA -0.328 54.515 54.840 0.005 0.000 0.809 66 L CB 0.944 42.991 42.059 -0.020 0.000 1.179 66 L HN 0.751 nan 8.230 nan 0.000 0.429 67 G N 5.785 114.595 108.800 0.016 0.000 2.355 67 G HA2 0.484 4.446 3.960 0.002 0.000 0.276 67 G HA3 0.484 4.446 3.960 0.002 0.000 0.276 67 G C -0.761 174.192 174.900 0.088 0.000 1.198 67 G CA -0.377 44.833 45.100 0.182 0.000 0.876 67 G HN 0.558 nan 8.290 nan 0.000 0.478 68 I N 1.801 122.364 120.570 -0.010 0.000 2.433 68 I HA 0.390 4.562 4.170 0.002 0.000 0.292 68 I C 0.119 176.070 176.117 -0.276 0.000 1.001 68 I CA -0.330 60.857 61.300 -0.189 0.000 1.119 68 I CB 2.164 39.964 38.000 -0.333 0.000 1.289 68 I HN 0.309 nan 8.210 nan 0.000 0.438 69 M N 7.215 126.678 119.600 -0.228 0.000 2.006 69 M HA 0.369 4.850 4.480 0.002 0.000 0.314 69 M C -1.437 174.863 176.300 0.000 0.000 0.926 69 M CA -0.828 54.302 55.300 -0.283 0.000 0.906 69 M CB 1.075 33.511 32.600 -0.274 0.000 1.422 69 M HN 0.174 nan 8.290 nan 0.000 0.397 70 L N 4.498 125.674 121.223 -0.079 0.000 2.319 70 L HA 0.450 4.791 4.340 0.002 0.000 0.280 70 L C -0.071 176.832 176.870 0.055 0.000 1.099 70 L CA -0.015 54.800 54.840 -0.041 0.000 0.828 70 L CB 0.497 42.492 42.059 -0.106 0.000 1.150 70 L HN 0.568 nan 8.230 nan 0.000 0.442 71 I N 2.922 123.427 120.570 -0.107 0.000 2.325 71 I HA 0.443 4.614 4.170 0.002 0.000 0.291 71 I C 1.032 176.809 176.117 -0.565 0.000 1.019 71 I CA -0.221 60.849 61.300 -0.383 0.000 1.302 71 I CB 0.831 38.238 38.000 -0.988 0.000 1.401 71 I HN 0.798 nan 8.210 nan 0.000 0.485 72 G N 5.387 113.948 108.800 -0.399 0.000 2.167 72 G HA2 -0.197 3.764 3.960 0.002 0.000 0.194 72 G HA3 -0.197 3.764 3.960 0.002 0.000 0.194 72 G C 0.586 175.359 174.900 -0.211 0.000 1.027 72 G CA -0.265 44.621 45.100 -0.357 0.000 0.717 72 G HN 0.625 nan 8.290 nan 0.000 0.501 73 L N 0.436 121.573 121.223 -0.144 0.000 2.450 73 L HA 0.103 4.444 4.340 0.002 0.000 0.224 73 L C 1.964 178.777 176.870 -0.094 0.000 1.149 73 L CA 2.614 57.388 54.840 -0.110 0.000 0.816 73 L CB -0.782 41.216 42.059 -0.103 0.000 0.932 73 L HN 0.429 nan 8.230 nan 0.000 0.449 74 G N -1.038 107.706 108.800 -0.093 0.000 2.986 74 G HA2 0.139 4.100 3.960 0.002 0.000 0.213 74 G HA3 0.139 4.100 3.960 0.002 0.000 0.213 74 G C 0.847 175.700 174.900 -0.079 0.000 1.156 74 G CA 0.343 45.397 45.100 -0.077 0.000 0.763 74 G HN 0.515 nan 8.290 nan 0.000 0.547 75 G N 0.454 109.199 108.800 -0.092 0.000 2.611 75 G HA2 0.200 4.162 3.960 0.002 0.000 0.273 75 G HA3 0.200 4.162 3.960 0.002 0.000 0.273 75 G C 0.832 175.690 174.900 -0.069 0.000 1.305 75 G CA -0.233 44.818 45.100 -0.081 0.000 1.010 75 G HN 0.115 nan 8.290 nan 0.000 0.509 76 N N 0.268 118.934 118.700 -0.057 0.000 2.120 76 N HA -0.122 4.619 4.740 0.002 0.000 0.188 76 N C 2.014 177.494 175.510 -0.050 0.000 1.024 76 N CA 1.230 54.249 53.050 -0.050 0.000 0.852 76 N CB -0.181 38.284 38.487 -0.037 0.000 1.003 76 N HN 0.427 nan 8.380 nan 0.000 0.424 77 N N 0.234 118.906 118.700 -0.048 0.000 2.135 77 N HA -0.038 4.703 4.740 0.002 0.000 0.186 77 N C 1.883 177.364 175.510 -0.048 0.000 1.027 77 N CA 1.290 54.315 53.050 -0.041 0.000 0.849 77 N CB -0.829 37.636 38.487 -0.036 0.000 1.002 77 N HN 0.311 nan 8.380 nan 0.000 0.425 78 G N 0.965 109.724 108.800 -0.067 0.000 2.421 78 G HA2 -0.258 3.703 3.960 0.002 0.000 0.216 78 G HA3 -0.258 3.703 3.960 0.002 0.000 0.216 78 G C 1.767 176.632 174.900 -0.058 0.000 1.171 78 G CA 1.646 46.703 45.100 -0.071 0.000 0.775 78 G HN 0.503 nan 8.290 nan 0.000 0.543 79 S N -0.140 115.523 115.700 -0.062 0.000 2.368 79 S HA -0.158 4.313 4.470 0.002 0.000 0.224 79 S C 2.272 176.837 174.600 -0.057 0.000 1.029 79 S CA 2.074 60.238 58.200 -0.059 0.000 0.988 79 S CB -0.938 62.222 63.200 -0.067 0.000 0.838 79 S HN 0.396 nan 8.310 nan 0.000 0.462 80 T N 0.824 115.343 114.554 -0.059 0.000 3.072 80 T HA 0.185 4.536 4.350 0.002 0.000 0.266 80 T C 1.513 176.185 174.700 -0.048 0.000 1.127 80 T CA 0.567 62.628 62.100 -0.065 0.000 1.107 80 T CB -0.567 68.260 68.868 -0.069 0.000 0.910 80 T HN 0.415 nan 8.240 nan 0.000 0.513 81 L N 0.548 121.755 121.223 -0.026 0.000 2.007 81 L HA -0.004 4.337 4.340 0.002 0.000 0.205 81 L C 2.578 179.456 176.870 0.013 0.000 1.073 81 L CA 1.344 56.189 54.840 0.008 0.000 0.744 81 L CB -0.549 41.522 42.059 0.020 0.000 0.898 81 L HN 0.155 nan 8.230 nan 0.000 0.435 82 V N 0.653 120.565 119.914 -0.003 0.000 2.282 82 V HA -0.347 3.774 4.120 0.002 0.000 0.249 82 V C 2.837 178.912 176.094 -0.032 0.000 1.057 82 V CA 1.908 64.205 62.300 -0.005 0.000 1.032 82 V CB -1.149 30.663 31.823 -0.018 0.000 0.645 82 V HN 0.608 nan 8.190 nan 0.000 0.447 83 A N 0.474 123.262 122.820 -0.054 0.000 1.972 83 A HA -0.199 4.122 4.320 0.002 0.000 0.219 83 A C 2.515 180.026 177.584 -0.122 0.000 1.169 83 A CA 2.173 54.158 52.037 -0.087 0.000 0.635 83 A CB -0.644 18.294 19.000 -0.103 0.000 0.810 83 A HN 0.718 nan 8.150 nan 0.000 0.446 84 S N -0.744 114.893 115.700 -0.105 0.000 2.428 84 S HA -0.054 4.417 4.470 0.002 0.000 0.230 84 S C 1.683 176.200 174.600 -0.139 0.000 1.014 84 S CA 1.233 59.342 58.200 -0.153 0.000 0.957 84 S CB -0.545 62.612 63.200 -0.072 0.000 0.784 84 S HN 0.224 nan 8.310 nan 0.000 0.499 85 V N 1.294 121.183 119.914 -0.042 0.000 2.346 85 V HA 0.023 4.144 4.120 0.002 0.000 0.244 85 V C 2.480 178.495 176.094 -0.131 0.000 1.037 85 V CA 1.127 63.416 62.300 -0.017 0.000 1.029 85 V CB -0.764 31.076 31.823 0.029 0.000 0.663 85 V HN 0.349 nan 8.190 nan 0.000 0.454 86 L N 0.584 121.711 121.223 -0.160 0.000 2.083 86 L HA -0.077 4.264 4.340 0.002 0.000 0.209 86 L C 2.559 179.293 176.870 -0.227 0.000 1.083 86 L CA 2.147 56.828 54.840 -0.264 0.000 0.752 86 L CB -1.196 40.779 42.059 -0.140 0.000 0.899 86 L HN 0.294 nan 8.230 nan 0.000 0.433 87 A N -0.682 122.034 122.820 -0.174 0.000 1.873 87 A HA -0.184 4.137 4.320 0.002 0.000 0.215 87 A C 2.171 179.663 177.584 -0.153 0.000 1.186 87 A CA 1.785 53.730 52.037 -0.153 0.000 0.616 87 A CB -0.503 18.370 19.000 -0.212 0.000 0.823 87 A HN 0.510 nan 8.150 nan 0.000 0.442 88 N N -0.518 118.047 118.700 -0.225 0.000 2.207 88 N HA -0.112 4.629 4.740 0.002 0.000 0.182 88 N C 1.821 177.287 175.510 -0.073 0.000 1.020 88 N CA 1.319 54.251 53.050 -0.198 0.000 0.858 88 N CB -0.235 38.043 38.487 -0.349 0.000 0.991 88 N HN 0.596 nan 8.380 nan 0.000 0.427 89 K N 0.949 121.290 120.400 -0.098 0.000 2.026 89 K HA -0.117 4.204 4.320 0.002 0.000 0.208 89 K C 0.888 177.515 176.600 0.046 0.000 1.048 89 K CA 1.333 57.577 56.287 -0.071 0.000 0.929 89 K CB -0.103 32.272 32.500 -0.208 0.000 0.713 89 K HN 0.402 nan 8.250 nan 0.000 0.439 90 H N -0.595 118.468 119.070 -0.012 0.000 2.524 90 H HA 0.139 4.696 4.556 0.002 0.000 0.280 90 H C -0.006 175.313 175.328 -0.015 0.000 1.018 90 H CA -0.226 55.815 56.048 -0.012 0.000 1.165 90 H CB 0.269 30.023 29.762 -0.014 0.000 1.411 90 H HN 0.348 nan 8.280 nan 0.000 0.569 91 N N 0.127 118.874 118.700 0.078 0.000 2.732 91 N HA -0.207 4.535 4.740 0.002 0.000 0.250 91 N C 0.110 175.644 175.510 0.040 0.000 1.097 91 N CA 0.688 53.760 53.050 0.037 0.000 0.812 91 N CB -0.968 37.539 38.487 0.033 0.000 1.148 91 N HN 0.238 nan 8.380 nan 0.000 0.572 92 V N 1.793 121.742 119.914 0.058 0.000 2.516 92 V HA -0.085 4.036 4.120 0.002 0.000 0.240 92 V C 0.860 177.018 176.094 0.106 0.000 1.084 92 V CA 0.228 62.567 62.300 0.064 0.000 1.254 92 V CB -0.779 31.079 31.823 0.059 0.000 1.224 92 V HN 0.269 nan 8.190 nan 0.000 0.480 93 E N 6.283 126.536 120.200 0.088 0.000 2.398 93 E HA 0.412 4.763 4.350 0.002 0.000 0.263 93 E C -0.518 176.180 176.600 0.163 0.000 1.046 93 E CA -0.489 55.970 56.400 0.098 0.000 0.908 93 E CB 0.721 30.404 29.700 -0.029 0.000 0.963 93 E HN 0.650 nan 8.360 nan 0.000 0.431 94 F N -1.112 118.809 119.950 -0.049 0.000 2.577 94 F HA 0.432 4.961 4.527 0.002 0.000 0.318 94 F C -0.357 175.428 175.800 -0.026 0.000 1.065 94 F CA -1.627 56.350 58.000 -0.039 0.000 0.929 94 F CB 1.033 40.005 39.000 -0.047 0.000 1.237 94 F HN 0.215 nan 8.300 nan 0.000 0.468 95 Q N 1.434 121.242 119.800 0.013 0.000 2.340 95 Q HA 0.546 4.887 4.340 0.002 0.000 0.249 95 Q C -0.591 175.410 176.000 0.001 0.000 0.957 95 Q CA 0.180 55.953 55.803 -0.049 0.000 0.882 95 Q CB 1.787 30.537 28.738 0.020 0.000 1.235 95 Q HN 0.954 nan 8.270 nan 0.000 0.439 96 T N 0.537 115.057 114.554 -0.055 0.000 2.843 96 T HA 0.170 4.521 4.350 0.002 0.000 0.302 96 T C 0.819 175.523 174.700 0.006 0.000 1.232 96 T CA -0.669 61.437 62.100 0.010 0.000 1.009 96 T CB 1.527 70.375 68.868 -0.033 0.000 1.254 96 T HN 0.594 nan 8.240 nan 0.000 0.504 97 K N 0.468 120.887 120.400 0.033 0.000 2.281 97 K HA -0.092 4.229 4.320 0.002 0.000 0.203 97 K C 0.610 177.213 176.600 0.005 0.000 1.046 97 K CA 1.738 58.038 56.287 0.022 0.000 0.938 97 K CB 0.139 32.658 32.500 0.031 0.000 0.737 97 K HN 0.409 nan 8.250 nan 0.000 0.458 98 E N -0.403 119.794 120.200 -0.006 0.000 2.499 98 E HA 0.237 4.588 4.350 0.002 0.000 0.199 98 E C -0.059 176.515 176.600 -0.044 0.000 1.016 98 E CA 0.176 56.566 56.400 -0.017 0.000 0.933 98 E CB 1.371 31.067 29.700 -0.008 0.000 1.050 98 E HN 0.474 nan 8.360 nan 0.000 0.462 99 G N -0.204 108.562 108.800 -0.058 0.000 2.409 99 G HA2 -0.178 3.783 3.960 0.002 0.000 0.421 99 G HA3 -0.178 3.783 3.960 0.002 0.000 0.421 99 G C -1.216 173.597 174.900 -0.145 0.000 1.259 99 G CA -0.546 44.505 45.100 -0.081 0.000 1.011 99 G HN 0.233 nan 8.290 nan 0.000 0.497 100 V N 0.832 120.651 119.914 -0.157 0.000 2.465 100 V HA 0.720 4.841 4.120 0.002 0.000 0.279 100 V C 0.146 176.048 176.094 -0.321 0.000 1.045 100 V CA -0.077 62.083 62.300 -0.235 0.000 0.938 100 V CB 0.824 32.555 31.823 -0.154 0.000 0.986 100 V HN 0.728 nan 8.190 nan 0.000 0.467 101 K N 5.509 125.551 120.400 -0.596 0.000 2.324 101 K HA 0.550 4.871 4.320 0.002 0.000 0.253 101 K C -1.088 175.224 176.600 -0.481 0.000 0.932 101 K CA -0.883 55.045 56.287 -0.598 0.000 0.799 101 K CB 1.944 33.992 32.500 -0.753 0.000 1.154 101 K HN 0.577 nan 8.250 nan 0.000 0.425 102 Q N 2.416 122.090 119.800 -0.211 0.000 2.299 102 Q HA 0.289 4.630 4.340 0.002 0.000 0.246 102 Q C -2.105 173.884 176.000 -0.018 0.000 0.935 102 Q CA -1.956 53.795 55.803 -0.087 0.000 0.887 102 Q CB 0.205 28.897 28.738 -0.077 0.000 1.223 102 Q HN 0.433 nan 8.270 nan 0.000 0.439 103 P HA 0.161 nan 4.420 nan 0.000 0.274 103 P C -0.566 176.582 177.300 -0.252 0.000 1.246 103 P CA -0.131 62.921 63.100 -0.079 0.000 0.795 103 P CB 1.037 32.659 31.700 -0.130 0.000 1.006 104 N N -0.736 117.715 118.700 -0.415 0.000 3.449 104 N HA 0.166 4.908 4.740 0.002 0.000 0.312 104 N C -1.269 173.931 175.510 -0.517 0.000 1.582 104 N CA -0.574 52.203 53.050 -0.455 0.000 0.850 104 N CB 0.581 38.623 38.487 -0.741 0.000 1.822 104 N HN 0.201 nan 8.380 nan 0.000 0.577 105 Y N -0.088 120.147 120.300 -0.107 0.000 2.696 105 Y HA 0.448 4.999 4.550 0.002 0.000 0.255 105 Y C -0.321 175.673 175.900 0.157 0.000 1.103 105 Y CA -0.804 57.289 58.100 -0.011 0.000 1.126 105 Y CB 0.077 38.522 38.460 -0.024 0.000 1.197 105 Y HN 0.345 nan 8.280 nan 0.000 0.574 106 F N 0.592 120.596 119.950 0.089 0.000 2.646 106 F HA 0.122 4.650 4.527 0.002 0.000 0.363 106 F C 1.620 177.456 175.800 0.060 0.000 1.143 106 F CA 1.225 59.261 58.000 0.060 0.000 1.356 106 F CB 0.463 39.486 39.000 0.038 0.000 1.055 106 F HN 0.468 nan 8.300 nan 0.000 0.606 107 G N 1.535 110.466 108.800 0.219 0.000 2.175 107 G HA2 -0.282 3.679 3.960 0.002 0.000 0.244 107 G HA3 -0.282 3.679 3.960 0.002 0.000 0.244 107 G C 0.003 174.976 174.900 0.121 0.000 0.982 107 G CA 0.121 45.308 45.100 0.145 0.000 0.641 107 G HN 0.805 nan 8.290 nan 0.000 0.527 108 S N -0.269 115.497 115.700 0.109 0.000 2.489 108 S HA 0.686 5.157 4.470 0.002 0.000 0.291 108 S C 1.375 175.958 174.600 -0.029 0.000 1.151 108 S CA 0.300 58.519 58.200 0.031 0.000 1.082 108 S CB 1.222 64.415 63.200 -0.012 0.000 1.019 108 S HN 0.409 nan 8.310 nan 0.000 0.492 109 M N 3.989 123.537 119.600 -0.087 0.000 2.248 109 M HA -0.046 4.435 4.480 0.002 0.000 0.265 109 M C 1.934 177.942 176.300 -0.487 0.000 1.079 109 M CA 2.020 57.146 55.300 -0.290 0.000 1.150 109 M CB -0.794 31.589 32.600 -0.362 0.000 1.366 109 M HN 0.906 nan 8.290 nan 0.000 0.433 110 T N -1.100 113.231 114.554 -0.371 0.000 2.746 110 T HA -0.125 4.226 4.350 0.002 0.000 0.267 110 T C 1.668 176.333 174.700 -0.058 0.000 1.039 110 T CA 0.999 62.990 62.100 -0.182 0.000 1.142 110 T CB -0.406 68.395 68.868 -0.111 0.000 0.866 110 T HN 0.373 nan 8.240 nan 0.000 0.444 111 Q N -0.182 119.552 119.800 -0.110 0.000 2.269 111 Q HA 0.242 4.583 4.340 0.002 0.000 0.201 111 Q C 2.140 178.164 176.000 0.039 0.000 0.946 111 Q CA 0.629 56.396 55.803 -0.061 0.000 0.877 111 Q CB -0.380 28.264 28.738 -0.157 0.000 0.963 111 Q HN 0.660 nan 8.270 nan 0.000 0.472 112 C N -0.179 119.142 119.300 0.035 0.000 3.730 112 C HA 0.248 4.709 4.460 0.002 0.000 0.397 112 C C 1.286 176.285 174.990 0.016 0.000 1.468 112 C CA -0.189 58.866 59.018 0.062 0.000 1.931 112 C CB -0.023 27.786 27.740 0.114 0.000 2.773 112 C HN 0.404 nan 8.230 nan 0.000 0.692 113 S N 1.516 117.209 115.700 -0.012 0.000 2.669 113 S HA 0.632 5.103 4.470 0.002 0.000 0.270 113 S C -0.047 174.614 174.600 0.101 0.000 1.225 113 S CA 0.206 58.406 58.200 0.000 0.000 0.991 113 S CB 0.876 64.040 63.200 -0.059 0.000 0.987 113 S HN 0.561 nan 8.310 nan 0.000 0.552 114 T N -1.321 113.305 114.554 0.120 0.000 2.888 114 T HA 0.738 5.089 4.350 0.002 0.000 0.288 114 T C -0.675 174.188 174.700 0.271 0.000 1.063 114 T CA -1.044 61.169 62.100 0.188 0.000 1.010 114 T CB 0.748 69.694 68.868 0.130 0.000 1.214 114 T HN 0.632 nan 8.240 nan 0.000 0.533 115 L N 0.483 121.863 121.223 0.262 0.000 2.388 115 L HA 0.562 4.903 4.340 0.002 0.000 0.264 115 L C -0.263 176.677 176.870 0.117 0.000 0.998 115 L CA -1.246 53.714 54.840 0.200 0.000 0.817 115 L CB 2.558 44.636 42.059 0.032 0.000 1.338 115 L HN 0.793 nan 8.230 nan 0.000 0.414 116 K N 1.788 122.127 120.400 -0.101 0.000 2.322 116 K HA 0.315 4.636 4.320 0.002 0.000 0.283 116 K C 0.196 176.647 176.600 -0.249 0.000 1.042 116 K CA -0.206 55.767 56.287 -0.523 0.000 0.958 116 K CB 0.945 33.050 32.500 -0.657 0.000 0.984 116 K HN 0.620 nan 8.250 nan 0.000 0.473 117 L N 2.625 123.716 121.223 -0.220 0.000 2.388 117 L HA 0.323 4.664 4.340 0.002 0.000 0.209 117 L C 1.051 177.853 176.870 -0.113 0.000 1.061 117 L CA 0.461 55.228 54.840 -0.122 0.000 0.834 117 L CB 0.515 42.530 42.059 -0.073 0.000 1.029 117 L HN 0.997 nan 8.230 nan 0.000 0.473 118 G N -0.213 108.503 108.800 -0.141 0.000 2.323 118 G HA2 0.233 4.194 3.960 0.002 0.000 0.291 118 G HA3 0.233 4.194 3.960 0.002 0.000 0.291 118 G C -1.314 173.529 174.900 -0.095 0.000 1.278 118 G CA -0.433 44.606 45.100 -0.102 0.000 0.860 118 G HN 0.008 nan 8.290 nan 0.000 0.504 119 I N -1.578 118.960 120.570 -0.054 0.000 3.660 119 I HA 0.839 5.010 4.170 0.002 0.000 0.285 119 I C -0.317 175.794 176.117 -0.010 0.000 1.266 119 I CA -0.949 60.333 61.300 -0.030 0.000 0.987 119 I CB 1.679 39.669 38.000 -0.017 0.000 1.417 119 I HN 0.672 nan 8.210 nan 0.000 0.590 120 D N 0.377 120.779 120.400 0.003 0.000 2.727 120 D HA 0.402 5.043 4.640 0.002 0.000 0.264 120 D C 0.843 177.151 176.300 0.013 0.000 1.101 120 D CA -0.306 53.700 54.000 0.010 0.000 1.122 120 D CB 1.084 41.894 40.800 0.017 0.000 1.390 120 D HN 0.611 nan 8.370 nan 0.000 0.606 121 A N 0.033 122.862 122.820 0.014 0.000 1.896 121 A HA -0.284 4.037 4.320 0.002 0.000 0.220 121 A C 1.685 179.278 177.584 0.016 0.000 1.206 121 A CA 2.325 54.371 52.037 0.014 0.000 0.647 121 A CB -0.911 18.098 19.000 0.014 0.000 0.828 121 A HN 0.584 nan 8.150 nan 0.000 0.455 122 E N -1.797 118.413 120.200 0.017 0.000 2.489 122 E HA 0.345 4.696 4.350 0.002 0.000 0.193 122 E C 1.151 177.763 176.600 0.020 0.000 1.057 122 E CA 0.771 57.182 56.400 0.019 0.000 0.866 122 E CB -0.101 29.610 29.700 0.019 0.000 0.916 122 E HN 0.943 nan 8.360 nan 0.000 0.500 123 G N 0.795 109.606 108.800 0.019 0.000 2.131 123 G HA2 -0.233 3.728 3.960 0.002 0.000 0.223 123 G HA3 -0.233 3.728 3.960 0.002 0.000 0.223 123 G C -0.331 174.581 174.900 0.019 0.000 0.990 123 G CA -0.307 44.804 45.100 0.018 0.000 0.671 123 G HN 0.160 nan 8.290 nan 0.000 0.521 124 N N 1.402 120.117 118.700 0.024 0.000 2.438 124 N HA 0.405 5.146 4.740 0.002 0.000 0.282 124 N C -0.188 175.343 175.510 0.036 0.000 1.037 124 N CA -0.510 52.562 53.050 0.036 0.000 0.942 124 N CB 0.999 39.513 38.487 0.044 0.000 1.136 124 N HN 0.169 nan 8.380 nan 0.000 0.481 125 D N 0.314 120.741 120.400 0.045 0.000 2.515 125 D HA 0.007 4.649 4.640 0.002 0.000 0.230 125 D C -0.287 176.042 176.300 0.047 0.000 1.181 125 D CA 0.693 54.693 54.000 -0.000 0.000 0.875 125 D CB 0.643 41.481 40.800 0.062 0.000 1.213 125 D HN 0.050 nan 8.370 nan 0.000 0.478 126 V N 2.522 122.381 119.914 -0.091 0.000 2.532 126 V HA 0.229 4.350 4.120 0.002 0.000 0.294 126 V C -0.972 175.086 176.094 -0.060 0.000 1.036 126 V CA -0.790 61.526 62.300 0.027 0.000 0.876 126 V CB 0.557 32.382 31.823 0.003 0.000 1.012 126 V HN 0.365 nan 8.190 nan 0.000 0.432 127 Y N 2.323 122.627 120.300 0.007 0.000 2.488 127 Y HA 0.893 5.444 4.550 0.003 0.000 0.325 127 Y C 0.505 176.410 175.900 0.008 0.000 1.204 127 Y CA -0.876 57.229 58.100 0.008 0.000 1.229 127 Y CB 1.803 40.272 38.460 0.014 0.000 1.274 127 Y HN 0.718 nan 8.280 nan 0.000 0.493 128 A N 1.003 123.926 122.820 0.171 0.000 2.539 128 A HA 0.726 5.047 4.320 0.002 0.000 0.296 128 A C -3.079 174.563 177.584 0.097 0.000 1.073 128 A CA -2.229 49.866 52.037 0.096 0.000 0.700 128 A CB 1.231 20.256 19.000 0.041 0.000 1.296 128 A HN 0.474 nan 8.150 nan 0.000 0.405 129 P HA 0.013 nan 4.420 nan 0.000 0.260 129 P C 0.470 177.836 177.300 0.111 0.000 1.172 129 P CA 0.323 63.482 63.100 0.099 0.000 0.760 129 P CB 0.021 31.765 31.700 0.072 0.000 0.773 130 F N 4.282 124.228 119.950 -0.007 0.000 2.323 130 F HA -0.260 4.268 4.527 0.002 0.000 0.301 130 F C 1.309 177.069 175.800 -0.067 0.000 1.060 130 F CA 1.621 59.601 58.000 -0.033 0.000 1.398 130 F CB 0.009 38.990 39.000 -0.032 0.000 1.075 130 F HN 0.324 nan 8.300 nan 0.000 0.540 131 N N -1.048 117.729 118.700 0.129 0.000 2.235 131 N HA 0.032 4.773 4.740 0.002 0.000 0.231 131 N C 0.915 176.422 175.510 -0.006 0.000 1.177 131 N CA 0.604 53.678 53.050 0.040 0.000 0.874 131 N CB -0.727 37.806 38.487 0.078 0.000 1.097 131 N HN 0.220 nan 8.380 nan 0.000 0.518 132 S N -0.244 115.447 115.700 -0.016 0.000 2.456 132 S HA 0.098 4.569 4.470 0.002 0.000 0.224 132 S C 1.607 176.189 174.600 -0.031 0.000 1.035 132 S CA -0.074 58.120 58.200 -0.010 0.000 0.940 132 S CB -0.293 62.911 63.200 0.007 0.000 0.799 132 S HN 0.045 nan 8.310 nan 0.000 0.508 133 L N 1.485 122.662 121.223 -0.077 0.000 1.933 133 L HA 0.106 4.447 4.340 0.002 0.000 0.220 133 L C 1.182 178.028 176.870 -0.041 0.000 1.078 133 L CA 1.679 56.469 54.840 -0.083 0.000 0.773 133 L CB -0.854 41.104 42.059 -0.167 0.000 0.890 133 L HN 0.342 nan 8.230 nan 0.000 0.434 134 L N -0.640 120.554 121.223 -0.049 0.000 2.332 134 L HA 0.388 4.729 4.340 0.002 0.000 0.269 134 L C -2.209 174.716 176.870 0.092 0.000 1.016 134 L CA -1.956 52.923 54.840 0.064 0.000 0.809 134 L CB 1.168 43.337 42.059 0.182 0.000 1.280 134 L HN 0.010 nan 8.230 nan 0.000 0.447 135 P HA 0.244 nan 4.420 nan 0.000 0.282 135 P C -1.340 176.073 177.300 0.190 0.000 1.274 135 P CA -0.070 63.101 63.100 0.119 0.000 0.770 135 P CB 0.863 32.611 31.700 0.079 0.000 0.867 136 M N 2.712 122.393 119.600 0.135 0.000 2.528 136 M HA 0.324 4.805 4.480 0.002 0.000 0.321 136 M C 0.138 176.499 176.300 0.102 0.000 1.153 136 M CA -1.353 54.042 55.300 0.159 0.000 0.951 136 M CB 2.660 35.315 32.600 0.093 0.000 1.705 136 M HN 0.029 nan 8.290 nan 0.000 0.451 137 V N 1.930 121.920 119.914 0.126 0.000 2.637 137 V HA 0.143 4.264 4.120 0.002 0.000 0.296 137 V C 0.150 176.273 176.094 0.049 0.000 1.046 137 V CA 0.277 62.645 62.300 0.113 0.000 1.066 137 V CB 1.474 33.408 31.823 0.185 0.000 0.968 137 V HN 0.920 nan 8.190 nan 0.000 0.483 138 S N 7.941 123.634 115.700 -0.011 0.000 2.545 138 S HA 0.417 4.889 4.470 0.002 0.000 0.275 138 S C -1.070 173.313 174.600 -0.362 0.000 1.299 138 S CA -0.921 57.188 58.200 -0.151 0.000 1.048 138 S CB 1.335 64.482 63.200 -0.088 0.000 0.938 138 S HN 0.819 nan 8.310 nan 0.000 0.496 139 P HA -0.138 nan 4.420 nan 0.000 0.219 139 P C 0.543 177.444 177.300 -0.665 0.000 1.146 139 P CA 1.319 63.616 63.100 -1.338 0.000 0.808 139 P CB -0.212 30.742 31.700 -1.243 0.000 0.779 140 N N -0.303 118.233 118.700 -0.273 0.000 2.520 140 N HA -0.079 4.663 4.740 0.002 0.000 0.185 140 N C 0.640 176.143 175.510 -0.013 0.000 1.068 140 N CA 0.363 53.377 53.050 -0.060 0.000 0.911 140 N CB -0.188 38.304 38.487 0.007 0.000 0.961 140 N HN 0.157 nan 8.380 nan 0.000 0.446 141 D N -0.314 120.093 120.400 0.011 0.000 2.424 141 D HA 0.081 4.722 4.640 0.002 0.000 0.220 141 D C -0.352 176.115 176.300 0.278 0.000 1.150 141 D CA -0.061 54.009 54.000 0.116 0.000 0.831 141 D CB 0.167 41.026 40.800 0.098 0.000 0.981 141 D HN 0.179 nan 8.370 nan 0.000 0.500 142 F N 0.892 120.844 119.950 0.003 0.000 2.429 142 F HA 0.180 4.708 4.527 0.002 0.000 0.348 142 F C 0.754 176.571 175.800 0.028 0.000 1.109 142 F CA -0.487 57.521 58.000 0.012 0.000 1.232 142 F CB 1.473 40.473 39.000 -0.000 0.000 1.157 142 F HN -0.343 nan 8.300 nan 0.000 0.564 143 V N 5.386 125.408 119.914 0.180 0.000 2.284 143 V HA 0.213 4.334 4.120 0.002 0.000 0.274 143 V C -0.186 176.023 176.094 0.192 0.000 1.023 143 V CA -0.528 61.869 62.300 0.161 0.000 0.808 143 V CB 1.004 32.899 31.823 0.120 0.000 1.035 143 V HN 0.438 nan 8.190 nan 0.000 0.445 144 V N 3.381 123.366 119.914 0.119 0.000 2.837 144 V HA 0.880 5.001 4.120 0.002 0.000 0.310 144 V C 0.332 176.390 176.094 -0.061 0.000 1.059 144 V CA 0.004 62.307 62.300 0.005 0.000 1.004 144 V CB 1.803 33.626 31.823 -0.001 0.000 1.045 144 V HN 0.852 nan 8.190 nan 0.000 0.465 145 S N 0.454 115.993 115.700 -0.269 0.000 2.862 145 S HA 0.844 5.315 4.470 0.002 0.000 0.300 145 S C -0.395 173.913 174.600 -0.487 0.000 1.240 145 S CA 0.612 58.596 58.200 -0.360 0.000 1.025 145 S CB 1.025 63.936 63.200 -0.482 0.000 1.340 145 S HN 2.192 nan 8.310 nan 0.000 0.544 146 G N -0.314 108.089 108.800 -0.662 0.000 2.320 146 G HA2 0.199 4.161 3.960 0.002 0.000 0.274 146 G HA3 0.199 4.161 3.960 0.002 0.000 0.274 146 G C -1.868 172.677 174.900 -0.590 0.000 1.324 146 G CA -0.238 44.434 45.100 -0.712 0.000 0.957 146 G HN 0.695 nan 8.290 nan 0.000 0.481 147 W N -0.367 120.870 121.300 -0.105 0.000 2.894 147 W HA 0.746 5.407 4.660 0.002 0.000 0.345 147 W C -0.880 175.551 176.519 -0.145 0.000 1.152 147 W CA -0.300 57.007 57.345 -0.063 0.000 1.089 147 W CB 2.288 31.799 29.460 0.084 0.000 1.454 147 W HN 0.634 nan 8.180 nan 0.000 0.589 148 D N 0.725 121.219 120.400 0.156 0.000 2.530 148 D HA 0.039 4.681 4.640 0.002 0.000 0.193 148 D C -0.024 176.285 176.300 0.016 0.000 1.243 148 D CA -0.370 53.632 54.000 0.003 0.000 0.803 148 D CB 1.606 42.384 40.800 -0.037 0.000 1.955 148 D HN 0.327 nan 8.370 nan 0.000 0.529 149 I N 1.435 121.997 120.570 -0.014 0.000 3.387 149 I HA 0.147 4.318 4.170 0.002 0.000 0.298 149 I C 0.292 176.367 176.117 -0.070 0.000 1.311 149 I CA 0.385 61.672 61.300 -0.021 0.000 1.318 149 I CB -0.602 37.399 38.000 0.002 0.000 1.023 149 I HN 0.230 nan 8.210 nan 0.000 0.540 150 N N 1.750 120.420 118.700 -0.050 0.000 2.336 150 N HA 0.130 4.871 4.740 0.002 0.000 0.290 150 N C -0.277 175.212 175.510 -0.035 0.000 1.058 150 N CA -0.400 52.617 53.050 -0.055 0.000 0.865 150 N CB 1.222 39.674 38.487 -0.060 0.000 1.581 150 N HN 0.240 nan 8.380 nan 0.000 0.480 151 N N 2.290 120.972 118.700 -0.030 0.000 2.362 151 N HA 0.099 4.840 4.740 0.002 0.000 0.204 151 N C 0.311 175.810 175.510 -0.018 0.000 1.166 151 N CA -0.355 52.683 53.050 -0.020 0.000 0.831 151 N CB 0.235 38.714 38.487 -0.013 0.000 1.008 151 N HN 0.494 nan 8.380 nan 0.000 0.472 152 A N 0.883 123.689 122.820 -0.024 0.000 2.492 152 A HA 0.151 4.472 4.320 0.002 0.000 0.236 152 A C 0.595 178.171 177.584 -0.013 0.000 1.078 152 A CA -0.107 51.919 52.037 -0.019 0.000 0.773 152 A CB 0.056 19.038 19.000 -0.031 0.000 1.023 152 A HN 0.610 nan 8.150 nan 0.000 0.504 153 D N 0.306 120.709 120.400 0.005 0.000 2.432 153 D HA 0.207 4.848 4.640 0.002 0.000 0.258 153 D C 0.456 176.763 176.300 0.011 0.000 1.146 153 D CA -0.668 53.340 54.000 0.013 0.000 1.015 153 D CB 0.646 41.469 40.800 0.038 0.000 1.107 153 D HN 0.191 nan 8.370 nan 0.000 0.529 154 L N -0.095 121.137 121.223 0.016 0.000 2.362 154 L HA -0.099 4.243 4.340 0.002 0.000 0.219 154 L C 1.923 178.809 176.870 0.027 0.000 1.134 154 L CA 0.927 55.769 54.840 0.004 0.000 0.807 154 L CB -1.380 40.677 42.059 -0.004 0.000 0.927 154 L HN 0.521 nan 8.230 nan 0.000 0.447 155 Y N 0.542 120.816 120.300 -0.043 0.000 2.206 155 Y HA -0.133 4.419 4.550 0.002 0.000 0.292 155 Y C 2.282 178.158 175.900 -0.041 0.000 1.123 155 Y CA 1.487 59.559 58.100 -0.047 0.000 1.142 155 Y CB -0.057 38.378 38.460 -0.042 0.000 1.006 155 Y HN 0.280 nan 8.280 nan 0.000 0.518 156 E N 0.216 120.345 120.200 -0.119 0.000 2.204 156 E HA -0.154 4.197 4.350 0.002 0.000 0.195 156 E C 2.257 178.750 176.600 -0.177 0.000 0.990 156 E CA 0.812 57.099 56.400 -0.187 0.000 0.821 156 E CB -0.216 29.462 29.700 -0.036 0.000 0.750 156 E HN 0.580 nan 8.360 nan 0.000 0.477 157 A N 1.192 123.938 122.820 -0.124 0.000 1.873 157 A HA -0.129 4.192 4.320 0.002 0.000 0.215 157 A C 2.137 179.641 177.584 -0.133 0.000 1.186 157 A CA 0.991 52.966 52.037 -0.104 0.000 0.616 157 A CB -0.355 18.602 19.000 -0.073 0.000 0.823 157 A HN 0.137 nan 8.150 nan 0.000 0.442 158 M N -0.784 118.716 119.600 -0.168 0.000 2.213 158 M HA -0.216 4.265 4.480 0.002 0.000 0.263 158 M C 2.411 178.583 176.300 -0.213 0.000 1.062 158 M CA 1.375 56.570 55.300 -0.175 0.000 1.105 158 M CB -0.281 32.212 32.600 -0.178 0.000 1.385 158 M HN 0.544 nan 8.290 nan 0.000 0.417 159 Q N -0.066 119.550 119.800 -0.307 0.000 2.016 159 Q HA -0.192 4.149 4.340 0.002 0.000 0.200 159 Q C 1.953 177.870 176.000 -0.138 0.000 0.978 159 Q CA 1.634 57.278 55.803 -0.265 0.000 0.833 159 Q CB -0.199 28.331 28.738 -0.347 0.000 0.895 159 Q HN 0.599 nan 8.270 nan 0.000 0.427 160 R N -0.455 119.974 120.500 -0.119 0.000 2.235 160 R HA 0.059 4.400 4.340 0.002 0.000 0.213 160 R C 1.817 178.082 176.300 -0.058 0.000 1.059 160 R CA 1.300 57.356 56.100 -0.074 0.000 0.997 160 R CB -0.071 30.191 30.300 -0.064 0.000 0.884 160 R HN -0.057 nan 8.270 nan 0.000 0.462 161 S N 0.842 116.500 115.700 -0.069 0.000 2.425 161 S HA -0.035 4.436 4.470 0.002 0.000 0.225 161 S C -0.018 174.556 174.600 -0.043 0.000 1.024 161 S CA 0.376 58.544 58.200 -0.053 0.000 0.951 161 S CB 0.050 63.213 63.200 -0.062 0.000 0.796 161 S HN 0.434 nan 8.310 nan 0.000 0.498 162 Q N -0.009 119.761 119.800 -0.049 0.000 2.453 162 Q HA -0.145 4.196 4.340 0.002 0.000 0.330 162 Q C 0.271 176.254 176.000 -0.029 0.000 1.417 162 Q CA 0.211 55.996 55.803 -0.029 0.000 0.902 162 Q CB -1.917 26.814 28.738 -0.011 0.000 1.154 162 Q HN 0.341 nan 8.270 nan 0.000 0.395 163 V N -1.386 118.500 119.914 -0.047 0.000 2.806 163 V HA 0.059 4.180 4.120 0.002 0.000 0.239 163 V C 0.868 176.925 176.094 -0.061 0.000 1.113 163 V CA 0.622 62.893 62.300 -0.049 0.000 1.137 163 V CB 0.201 31.989 31.823 -0.058 0.000 0.865 163 V HN 0.346 nan 8.190 nan 0.000 0.482 164 L N 0.525 121.695 121.223 -0.088 0.000 2.439 164 L HA 0.405 4.746 4.340 0.002 0.000 0.259 164 L C 0.578 177.400 176.870 -0.079 0.000 1.129 164 L CA -0.150 54.613 54.840 -0.128 0.000 0.803 164 L CB 0.073 42.020 42.059 -0.186 0.000 1.161 164 L HN 0.262 nan 8.230 nan 0.000 0.462 165 E N 0.279 120.425 120.200 -0.091 0.000 2.413 165 E HA -0.112 4.239 4.350 0.002 0.000 0.263 165 E C 0.531 177.155 176.600 0.039 0.000 1.015 165 E CA 0.108 56.527 56.400 0.032 0.000 0.916 165 E CB 0.563 30.345 29.700 0.137 0.000 0.947 165 E HN 0.441 nan 8.360 nan 0.000 0.440 166 Y N 3.538 123.853 120.300 0.024 0.000 2.030 166 Y HA -0.375 4.176 4.550 0.002 0.000 0.272 166 Y C 1.976 177.907 175.900 0.050 0.000 1.185 166 Y CA 2.757 60.874 58.100 0.028 0.000 1.120 166 Y CB -0.165 38.315 38.460 0.033 0.000 0.955 166 Y HN 0.657 nan 8.280 nan 0.000 0.495 167 D N -0.359 120.062 120.400 0.034 0.000 2.092 167 D HA -0.219 4.422 4.640 0.002 0.000 0.193 167 D C 2.221 178.501 176.300 -0.034 0.000 0.994 167 D CA 1.585 55.588 54.000 0.005 0.000 0.828 167 D CB -0.602 40.282 40.800 0.141 0.000 0.963 167 D HN 0.366 nan 8.370 nan 0.000 0.450 168 L N 0.682 121.913 121.223 0.014 0.000 2.013 168 L HA -0.214 4.127 4.340 0.002 0.000 0.212 168 L C 2.398 179.191 176.870 -0.129 0.000 1.073 168 L CA 1.980 56.766 54.840 -0.091 0.000 0.753 168 L CB -0.840 40.970 42.059 -0.416 0.000 0.890 168 L HN 0.160 nan 8.230 nan 0.000 0.432 169 Q N -1.488 118.217 119.800 -0.158 0.000 2.135 169 Q HA -0.257 4.084 4.340 0.002 0.000 0.204 169 Q C 2.192 178.163 176.000 -0.049 0.000 0.981 169 Q CA 1.695 57.427 55.803 -0.119 0.000 0.856 169 Q CB -0.004 28.630 28.738 -0.173 0.000 0.902 169 Q HN 0.564 nan 8.270 nan 0.000 0.425 170 Q N -0.029 119.670 119.800 -0.168 0.000 2.119 170 Q HA -0.094 4.247 4.340 0.002 0.000 0.201 170 Q C 1.762 177.714 176.000 -0.079 0.000 0.972 170 Q CA 1.283 57.003 55.803 -0.137 0.000 0.847 170 Q CB -0.090 28.509 28.738 -0.230 0.000 0.903 170 Q HN 0.371 nan 8.270 nan 0.000 0.433 171 R N -0.019 120.449 120.500 -0.054 0.000 2.280 171 R HA 0.067 4.408 4.340 0.002 0.000 0.207 171 R C 1.499 177.784 176.300 -0.025 0.000 1.043 171 R CA 0.455 56.537 56.100 -0.029 0.000 1.006 171 R CB 0.097 30.400 30.300 0.005 0.000 0.885 171 R HN 0.196 nan 8.270 nan 0.000 0.467 172 L N -0.172 121.036 121.223 -0.025 0.000 2.766 172 L HA 0.152 4.494 4.340 0.002 0.000 0.242 172 L C 2.064 178.932 176.870 -0.004 0.000 1.136 172 L CA -0.068 54.768 54.840 -0.007 0.000 0.933 172 L CB 0.087 42.138 42.059 -0.013 0.000 1.241 172 L HN 0.014 nan 8.230 nan 0.000 0.522 173 K N 1.655 122.018 120.400 -0.061 0.000 1.991 173 K HA -0.212 4.109 4.320 0.002 0.000 0.212 173 K C 2.162 178.606 176.600 -0.261 0.000 1.049 173 K CA 1.777 57.897 56.287 -0.277 0.000 0.932 173 K CB -0.072 32.061 32.500 -0.612 0.000 0.717 173 K HN 0.243 nan 8.250 nan 0.000 0.441 174 A N 1.689 124.394 122.820 -0.191 0.000 1.884 174 A HA -0.230 4.091 4.320 0.002 0.000 0.219 174 A C 2.067 179.604 177.584 -0.077 0.000 1.197 174 A CA 2.029 53.986 52.037 -0.132 0.000 0.637 174 A CB -0.546 18.398 19.000 -0.092 0.000 0.827 174 A HN 0.253 nan 8.150 nan 0.000 0.450 175 K N -0.834 119.542 120.400 -0.039 0.000 2.025 175 K HA 0.052 4.374 4.320 0.002 0.000 0.207 175 K C 1.969 178.572 176.600 0.005 0.000 1.049 175 K CA 1.473 57.759 56.287 -0.001 0.000 0.933 175 K CB -0.517 32.007 32.500 0.041 0.000 0.714 175 K HN 0.593 nan 8.250 nan 0.000 0.438 176 M N 0.842 120.451 119.600 0.016 0.000 2.557 176 M HA -0.045 4.436 4.480 0.002 0.000 0.259 176 M C 1.493 177.829 176.300 0.060 0.000 1.086 176 M CA 0.678 56.004 55.300 0.043 0.000 1.096 176 M CB 0.019 32.660 32.600 0.067 0.000 1.424 176 M HN -0.068 nan 8.290 nan 0.000 0.488 177 S N 0.534 116.249 115.700 0.025 0.000 2.515 177 S HA 0.042 4.513 4.470 0.002 0.000 0.231 177 S C 1.632 176.238 174.600 0.011 0.000 0.987 177 S CA 0.685 58.902 58.200 0.028 0.000 0.936 177 S CB -0.107 63.055 63.200 -0.062 0.000 0.766 177 S HN 0.467 nan 8.310 nan 0.000 0.528 178 L N 0.862 122.086 121.223 0.002 0.000 2.375 178 L HA 0.130 4.471 4.340 0.002 0.000 0.215 178 L C 0.146 177.016 176.870 0.001 0.000 1.108 178 L CA 0.250 55.089 54.840 -0.001 0.000 0.830 178 L CB -0.069 41.989 42.059 -0.002 0.000 0.959 178 L HN 0.081 nan 8.230 nan 0.000 0.457 179 V N 1.315 121.231 119.914 0.004 0.000 2.405 179 V HA 0.105 4.227 4.120 0.002 0.000 0.264 179 V C 0.023 176.107 176.094 -0.018 0.000 1.048 179 V CA -0.248 62.046 62.300 -0.009 0.000 0.966 179 V CB 0.788 32.604 31.823 -0.011 0.000 1.015 179 V HN 0.128 nan 8.190 nan 0.000 0.477 180 K N 7.978 128.361 120.400 -0.029 0.000 2.394 180 K HA 0.524 4.845 4.320 0.002 0.000 0.260 180 K C -2.433 174.131 176.600 -0.061 0.000 0.967 180 K CA -1.776 54.491 56.287 -0.033 0.000 0.855 180 K CB 1.678 34.165 32.500 -0.021 0.000 1.101 180 K HN 0.438 nan 8.250 nan 0.000 0.433 181 P HA 0.028 nan 4.420 nan 0.000 0.269 181 P C -0.585 176.676 177.300 -0.064 0.000 1.215 181 P CA -0.165 62.885 63.100 -0.085 0.000 0.780 181 P CB 0.710 32.380 31.700 -0.051 0.000 0.898 182 L N 2.967 124.129 121.223 -0.101 0.000 2.456 182 L HA 0.358 4.700 4.340 0.002 0.000 0.257 182 L C -2.024 174.919 176.870 0.123 0.000 1.162 182 L CA -2.372 52.450 54.840 -0.029 0.000 0.808 182 L CB -0.183 41.787 42.059 -0.148 0.000 1.136 182 L HN 0.214 nan 8.230 nan 0.000 0.466 183 P HA 0.067 nan 4.420 nan 0.000 0.269 183 P C -0.680 176.769 177.300 0.249 0.000 1.209 183 P CA -0.016 63.166 63.100 0.136 0.000 0.776 183 P CB 1.121 32.876 31.700 0.092 0.000 0.876 184 S N 1.637 117.451 115.700 0.191 0.000 2.786 184 S HA 0.700 5.171 4.470 0.002 0.000 0.307 184 S C -0.588 174.062 174.600 0.084 0.000 1.121 184 S CA -0.776 57.556 58.200 0.220 0.000 0.975 184 S CB 0.243 63.556 63.200 0.187 0.000 1.220 184 S HN 0.353 nan 8.310 nan 0.000 0.550 185 I N 1.799 122.397 120.570 0.046 0.000 2.331 185 I HA 0.636 4.807 4.170 0.002 0.000 0.292 185 I C -1.304 174.729 176.117 -0.140 0.000 0.998 185 I CA -0.453 60.743 61.300 -0.172 0.000 1.267 185 I CB 1.036 38.817 38.000 -0.364 0.000 1.386 185 I HN 0.601 nan 8.210 nan 0.000 0.476 186 Y N 7.440 127.580 120.300 -0.266 0.000 2.327 186 Y HA 0.551 5.102 4.550 0.002 0.000 0.325 186 Y C -1.985 173.939 175.900 0.041 0.000 0.999 186 Y CA -0.950 57.071 58.100 -0.131 0.000 1.195 186 Y CB 1.051 39.501 38.460 -0.017 0.000 1.132 186 Y HN 0.607 nan 8.280 nan 0.000 0.455 187 Y N 8.313 128.444 120.300 -0.281 0.000 2.331 187 Y HA 0.302 4.854 4.550 0.002 0.000 0.338 187 Y C -1.515 174.071 175.900 -0.523 0.000 0.992 187 Y CA -2.471 55.518 58.100 -0.186 0.000 1.121 187 Y CB 1.537 40.104 38.460 0.179 0.000 1.184 187 Y HN 0.504 nan 8.280 nan 0.000 0.469 188 P HA -0.177 nan 4.420 nan 0.000 0.216 188 P C 0.068 177.268 177.300 -0.166 0.000 1.153 188 P CA 1.664 64.562 63.100 -0.336 0.000 0.848 188 P CB 0.286 31.961 31.700 -0.043 0.000 0.787 189 D N -0.853 119.434 120.400 -0.188 0.000 2.350 189 D HA -0.101 4.540 4.640 0.002 0.000 0.216 189 D C 1.383 177.435 176.300 -0.413 0.000 0.968 189 D CA 0.775 54.589 54.000 -0.310 0.000 0.894 189 D CB -0.995 39.544 40.800 -0.435 0.000 0.909 189 D HN 0.280 nan 8.370 nan 0.000 0.520 190 F N 0.313 120.244 119.950 -0.032 0.000 2.698 190 F HA 0.256 4.785 4.527 0.002 0.000 0.295 190 F C 1.019 176.818 175.800 -0.001 0.000 1.124 190 F CA -0.293 57.702 58.000 -0.009 0.000 1.426 190 F CB 0.206 39.211 39.000 0.009 0.000 1.120 190 F HN -0.143 nan 8.300 nan 0.000 0.583 191 I N 1.251 121.885 120.570 0.107 0.000 2.460 191 I HA -0.029 4.142 4.170 0.002 0.000 0.297 191 I C 1.230 177.398 176.117 0.084 0.000 1.139 191 I CA -0.098 61.270 61.300 0.113 0.000 1.340 191 I CB 0.651 38.721 38.000 0.117 0.000 1.444 191 I HN 0.090 nan 8.210 nan 0.000 0.557 192 A N 5.412 128.292 122.820 0.099 0.000 2.178 192 A HA 0.591 4.912 4.320 0.002 0.000 0.211 192 A C 0.960 178.583 177.584 0.065 0.000 1.157 192 A CA 0.963 53.044 52.037 0.072 0.000 0.780 192 A CB 0.048 19.100 19.000 0.087 0.000 0.828 192 A HN 0.799 nan 8.150 nan 0.000 0.476 193 A N -1.869 121.000 122.820 0.082 0.000 2.332 193 A HA 0.460 4.782 4.320 0.002 0.000 0.293 193 A C -0.060 177.574 177.584 0.084 0.000 1.014 193 A CA -0.159 51.921 52.037 0.071 0.000 0.566 193 A CB -0.899 18.136 19.000 0.059 0.000 1.483 193 A HN 0.460 nan 8.150 nan 0.000 0.603 194 N N -0.732 118.008 118.700 0.067 0.000 2.699 194 N HA -0.204 4.538 4.740 0.002 0.000 0.256 194 N C -0.275 175.273 175.510 0.063 0.000 0.993 194 N CA 1.166 54.253 53.050 0.061 0.000 0.759 194 N CB -0.307 38.222 38.487 0.070 0.000 0.906 194 N HN 0.688 nan 8.380 nan 0.000 0.541 195 Q N 0.818 120.655 119.800 0.062 0.000 2.851 195 Q HA 0.208 4.549 4.340 0.002 0.000 0.331 195 Q C -0.221 175.804 176.000 0.041 0.000 0.979 195 Q CA -0.382 55.463 55.803 0.070 0.000 0.955 195 Q CB 0.543 29.347 28.738 0.110 0.000 1.298 195 Q HN 0.151 nan 8.270 nan 0.000 0.432 196 D N 0.252 120.664 120.400 0.020 0.000 2.144 196 D HA -0.085 4.556 4.640 0.002 0.000 0.200 196 D C -0.031 176.266 176.300 -0.005 0.000 0.978 196 D CA 1.177 55.180 54.000 0.005 0.000 0.833 196 D CB 0.491 41.289 40.800 -0.004 0.000 0.961 196 D HN 0.465 nan 8.370 nan 0.000 0.470 197 E N 0.457 120.650 120.200 -0.013 0.000 2.235 197 E HA 0.471 4.822 4.350 0.002 0.000 0.265 197 E C -0.030 176.543 176.600 -0.045 0.000 0.940 197 E CA -0.772 55.610 56.400 -0.030 0.000 0.819 197 E CB 1.087 30.763 29.700 -0.041 0.000 1.206 197 E HN -0.079 nan 8.360 nan 0.000 0.409 198 R N 0.257 120.719 120.500 -0.062 0.000 2.641 198 R HA 0.447 4.788 4.340 0.002 0.000 0.269 198 R C 0.051 176.248 176.300 -0.173 0.000 1.074 198 R CA -0.205 55.835 56.100 -0.100 0.000 1.133 198 R CB 0.408 30.662 30.300 -0.077 0.000 1.029 198 R HN 0.584 nan 8.270 nan 0.000 0.488 199 A N 2.460 125.093 122.820 -0.313 0.000 2.798 199 A HA 0.120 4.441 4.320 0.002 0.000 0.316 199 A C 0.115 177.534 177.584 -0.275 0.000 1.506 199 A CA -0.470 51.283 52.037 -0.474 0.000 1.162 199 A CB -0.964 17.285 19.000 -1.251 0.000 1.138 199 A HN 1.027 nan 8.150 nan 0.000 0.532 200 N N 0.382 118.987 118.700 -0.158 0.000 2.200 200 N HA 0.068 4.809 4.740 0.002 0.000 0.224 200 N C -0.354 175.123 175.510 -0.055 0.000 1.179 200 N CA -0.395 52.601 53.050 -0.090 0.000 0.877 200 N CB 0.342 38.791 38.487 -0.063 0.000 1.072 200 N HN 0.329 nan 8.380 nan 0.000 0.519 201 N N 1.120 119.787 118.700 -0.056 0.000 2.675 201 N HA 0.273 5.014 4.740 0.002 0.000 0.254 201 N C -1.974 173.540 175.510 0.007 0.000 1.224 201 N CA -0.217 52.825 53.050 -0.013 0.000 0.777 201 N CB 0.796 39.281 38.487 -0.003 0.000 1.256 201 N HN 0.222 nan 8.380 nan 0.000 0.531 202 C N 2.400 121.709 119.300 0.015 0.000 2.712 202 C HA 0.497 4.959 4.460 0.002 0.000 0.308 202 C C 2.216 177.230 174.990 0.040 0.000 1.201 202 C CA -0.980 58.059 59.018 0.034 0.000 1.554 202 C CB 0.946 28.710 27.740 0.040 0.000 2.117 202 C HN 0.705 nan 8.230 nan 0.000 0.480 203 I N 0.915 121.501 120.570 0.026 0.000 2.339 203 I HA 0.013 4.185 4.170 0.002 0.000 0.245 203 I C 1.228 177.368 176.117 0.037 0.000 1.096 203 I CA 0.904 62.226 61.300 0.036 0.000 1.408 203 I CB -0.546 37.468 38.000 0.023 0.000 1.092 203 I HN 0.797 nan 8.210 nan 0.000 0.423 204 N N 4.577 123.238 118.700 -0.064 0.000 2.429 204 N HA 0.046 4.787 4.740 0.002 0.000 0.298 204 N C -0.917 174.671 175.510 0.130 0.000 1.256 204 N CA 0.535 53.578 53.050 -0.011 0.000 1.090 204 N CB -0.132 38.226 38.487 -0.214 0.000 1.477 204 N HN 0.546 nan 8.380 nan 0.000 0.491 205 L N 1.764 123.075 121.223 0.146 0.000 2.404 205 L HA 0.209 4.550 4.340 0.002 0.000 0.272 205 L C -0.380 176.564 176.870 0.123 0.000 0.980 205 L CA -1.236 53.678 54.840 0.123 0.000 0.836 205 L CB 1.737 43.848 42.059 0.087 0.000 1.238 205 L HN 0.322 nan 8.230 nan 0.000 0.408 206 D N 2.112 122.581 120.400 0.116 0.000 2.412 206 D HA -0.067 4.574 4.640 0.002 0.000 0.257 206 D C 0.191 176.535 176.300 0.074 0.000 1.217 206 D CA -0.272 53.785 54.000 0.095 0.000 0.897 206 D CB 1.062 41.910 40.800 0.080 0.000 1.132 206 D HN 0.263 nan 8.370 nan 0.000 0.493 207 E N 2.105 122.346 120.200 0.068 0.000 2.251 207 E HA -0.098 4.253 4.350 0.002 0.000 0.254 207 E C 0.148 176.775 176.600 0.045 0.000 1.191 207 E CA 0.516 56.949 56.400 0.055 0.000 1.026 207 E CB -0.169 29.561 29.700 0.050 0.000 1.095 207 E HN 0.564 nan 8.360 nan 0.000 0.446 208 K N -0.785 119.642 120.400 0.045 0.000 2.644 208 K HA 0.134 4.456 4.320 0.002 0.000 0.156 208 K C 1.012 177.635 176.600 0.038 0.000 1.957 208 K CA 0.401 56.711 56.287 0.038 0.000 1.331 208 K CB 0.960 33.483 32.500 0.038 0.000 2.145 208 K HN 0.318 nan 8.250 nan 0.000 0.574 209 G N 1.485 110.312 108.800 0.046 0.000 2.624 209 G HA2 -0.173 3.788 3.960 0.002 0.000 0.190 209 G HA3 -0.173 3.788 3.960 0.002 0.000 0.190 209 G C -0.315 174.616 174.900 0.052 0.000 1.008 209 G CA -0.151 44.975 45.100 0.044 0.000 0.731 209 G HN 0.294 nan 8.290 nan 0.000 0.478 210 N N 0.384 119.120 118.700 0.060 0.000 2.294 210 N HA 0.465 5.206 4.740 0.002 0.000 0.248 210 N C 1.706 177.278 175.510 0.102 0.000 1.300 210 N CA -0.093 53.001 53.050 0.074 0.000 0.925 210 N CB 1.050 39.580 38.487 0.070 0.000 1.188 210 N HN 0.410 nan 8.380 nan 0.000 0.512 211 V N -2.884 117.110 119.914 0.133 0.000 2.284 211 V HA 0.082 4.204 4.120 0.002 0.000 0.236 211 V C 0.990 177.200 176.094 0.194 0.000 1.044 211 V CA 0.657 63.072 62.300 0.191 0.000 1.019 211 V CB -1.222 30.772 31.823 0.285 0.000 0.657 211 V HN 0.917 nan 8.190 nan 0.000 0.465 212 T N 0.585 115.239 114.554 0.168 0.000 0.541 212 T HA -0.174 4.177 4.350 0.002 0.000 0.774 212 T C 0.400 175.190 174.700 0.150 0.000 0.992 212 T CA 1.094 63.271 62.100 0.129 0.000 4.077 212 T CB -0.789 68.145 68.868 0.110 0.000 2.303 212 T HN 1.669 nan 8.240 nan 0.000 0.398 213 T N 1.513 116.079 114.554 0.020 0.000 3.243 213 T HA 0.399 4.750 4.350 0.002 0.000 0.264 213 T C 0.394 175.045 174.700 -0.082 0.000 1.000 213 T CA -0.144 61.843 62.100 -0.190 0.000 0.901 213 T CB 0.071 68.724 68.868 -0.359 0.000 1.083 213 T HN 0.732 nan 8.240 nan 0.000 0.559 214 R N 0.114 120.653 120.500 0.064 0.000 2.573 214 R HA 0.556 4.897 4.340 0.002 0.000 0.272 214 R C 0.967 177.258 176.300 -0.015 0.000 1.009 214 R CA 0.457 56.574 56.100 0.028 0.000 1.059 214 R CB 0.372 30.691 30.300 0.031 0.000 1.112 214 R HN 0.347 nan 8.270 nan 0.000 0.517 215 G N 2.184 110.910 108.800 -0.123 0.000 2.147 215 G HA2 -0.287 3.674 3.960 0.002 0.000 0.244 215 G HA3 -0.287 3.674 3.960 0.002 0.000 0.244 215 G C 0.542 175.019 174.900 -0.706 0.000 1.005 215 G CA 0.570 45.489 45.100 -0.301 0.000 0.713 215 G HN 0.745 nan 8.290 nan 0.000 0.515 216 K N -1.226 118.974 120.400 -0.333 0.000 2.113 216 K HA -0.155 4.166 4.320 0.002 0.000 0.208 216 K C 2.069 178.659 176.600 -0.016 0.000 1.047 216 K CA 1.708 57.955 56.287 -0.067 0.000 0.928 216 K CB -0.138 32.438 32.500 0.126 0.000 0.716 216 K HN 0.635 nan 8.250 nan 0.000 0.446 217 W N 2.185 123.406 121.300 -0.133 0.000 2.379 217 W HA -0.195 4.466 4.660 0.002 0.000 0.307 217 W C 2.036 178.504 176.519 -0.085 0.000 1.200 217 W CA 2.266 59.564 57.345 -0.078 0.000 1.297 217 W CB -0.528 28.894 29.460 -0.062 0.000 1.140 217 W HN 0.207 nan 8.180 nan 0.000 0.507 218 T N -1.967 112.615 114.554 0.047 0.000 2.803 218 T HA -0.287 4.064 4.350 0.002 0.000 0.269 218 T C 1.456 176.140 174.700 -0.027 0.000 1.052 218 T CA 2.001 64.103 62.100 0.003 0.000 1.136 218 T CB -1.113 67.761 68.868 0.009 0.000 0.864 218 T HN 0.400 nan 8.240 nan 0.000 0.467 219 H N 0.537 119.592 119.070 -0.025 0.000 2.326 219 H HA 0.110 4.667 4.556 0.002 0.000 0.301 219 H C 2.509 177.706 175.328 -0.219 0.000 1.081 219 H CA 1.031 57.032 56.048 -0.078 0.000 1.334 219 H CB -0.139 29.620 29.762 -0.005 0.000 1.385 219 H HN 0.143 nan 8.280 nan 0.000 0.504 220 L N 1.520 122.631 121.223 -0.186 0.000 2.012 220 L HA -0.250 4.091 4.340 0.002 0.000 0.210 220 L C 1.755 178.403 176.870 -0.370 0.000 1.073 220 L CA 1.843 56.453 54.840 -0.384 0.000 0.748 220 L CB -0.746 40.935 42.059 -0.631 0.000 0.891 220 L HN 0.438 nan 8.230 nan 0.000 0.431 221 Q N -0.521 119.058 119.800 -0.369 0.000 2.050 221 Q HA -0.273 4.068 4.340 0.002 0.000 0.202 221 Q C 2.216 178.154 176.000 -0.103 0.000 0.980 221 Q CA 1.952 57.625 55.803 -0.217 0.000 0.840 221 Q CB -0.224 28.443 28.738 -0.118 0.000 0.898 221 Q HN 0.435 nan 8.270 nan 0.000 0.424 222 R N 1.139 121.602 120.500 -0.062 0.000 2.094 222 R HA -0.183 4.159 4.340 0.002 0.000 0.239 222 R C 2.053 178.342 176.300 -0.020 0.000 1.137 222 R CA 1.716 57.812 56.100 -0.007 0.000 0.943 222 R CB -0.506 29.813 30.300 0.031 0.000 0.850 222 R HN 0.189 nan 8.270 nan 0.000 0.433 223 I N 0.904 121.399 120.570 -0.124 0.000 2.208 223 I HA -0.255 3.916 4.170 0.002 0.000 0.245 223 I C 2.317 178.415 176.117 -0.031 0.000 1.097 223 I CA 1.601 62.800 61.300 -0.168 0.000 1.363 223 I CB -1.173 36.484 38.000 -0.572 0.000 1.051 223 I HN 0.288 nan 8.210 nan 0.000 0.413 224 R N 0.325 120.776 120.500 -0.082 0.000 2.070 224 R HA -0.187 4.155 4.340 0.002 0.000 0.233 224 R C 2.413 178.734 176.300 0.035 0.000 1.137 224 R CA 1.315 57.398 56.100 -0.027 0.000 0.945 224 R CB -0.452 29.801 30.300 -0.079 0.000 0.845 224 R HN 0.150 nan 8.270 nan 0.000 0.430 225 R N 1.646 122.160 120.500 0.024 0.000 2.091 225 R HA -0.155 4.186 4.340 0.002 0.000 0.238 225 R C 1.389 177.739 176.300 0.083 0.000 1.136 225 R CA 1.898 58.026 56.100 0.047 0.000 0.959 225 R CB -0.819 29.503 30.300 0.037 0.000 0.856 225 R HN 0.176 nan 8.270 nan 0.000 0.437 226 D N 0.092 120.562 120.400 0.117 0.000 2.106 226 D HA -0.189 4.452 4.640 0.002 0.000 0.191 226 D C 1.974 178.373 176.300 0.165 0.000 0.997 226 D CA 1.910 56.004 54.000 0.157 0.000 0.834 226 D CB -0.244 40.745 40.800 0.316 0.000 0.956 226 D HN 0.323 nan 8.370 nan 0.000 0.448 227 I N 0.930 121.629 120.570 0.215 0.000 2.226 227 I HA -0.295 3.876 4.170 0.002 0.000 0.245 227 I C 2.514 178.749 176.117 0.195 0.000 1.100 227 I CA 1.050 62.491 61.300 0.234 0.000 1.374 227 I CB -0.212 37.926 38.000 0.231 0.000 1.057 227 I HN 0.075 nan 8.210 nan 0.000 0.413 228 Q N 0.613 120.487 119.800 0.123 0.000 2.020 228 Q HA -0.216 4.125 4.340 0.002 0.000 0.202 228 Q C 1.920 177.956 176.000 0.061 0.000 0.982 228 Q CA 1.882 57.730 55.803 0.076 0.000 0.838 228 Q CB -0.563 28.205 28.738 0.051 0.000 0.899 228 Q HN 0.618 nan 8.270 nan 0.000 0.423 229 N N 0.461 119.202 118.700 0.069 0.000 2.061 229 N HA -0.194 4.548 4.740 0.002 0.000 0.193 229 N C 1.690 177.225 175.510 0.043 0.000 1.030 229 N CA 1.173 54.251 53.050 0.046 0.000 0.856 229 N CB -0.280 38.239 38.487 0.052 0.000 1.023 229 N HN 0.130 nan 8.380 nan 0.000 0.424 230 F N 2.379 122.302 119.950 -0.044 0.000 2.126 230 F HA -0.156 4.372 4.527 0.002 0.000 0.299 230 F C 2.252 178.023 175.800 -0.048 0.000 1.096 230 F CA 1.431 59.389 58.000 -0.069 0.000 1.255 230 F CB -0.209 38.724 39.000 -0.111 0.000 0.997 230 F HN -0.151 nan 8.300 nan 0.000 0.479 231 K N 0.356 120.639 120.400 -0.195 0.000 2.032 231 K HA -0.250 4.071 4.320 0.002 0.000 0.209 231 K C 2.168 178.620 176.600 -0.247 0.000 1.048 231 K CA 2.143 58.280 56.287 -0.249 0.000 0.927 231 K CB -0.285 32.189 32.500 -0.045 0.000 0.712 231 K HN 0.637 nan 8.250 nan 0.000 0.441 232 E N 0.051 120.162 120.200 -0.149 0.000 2.072 232 E HA -0.181 4.170 4.350 0.002 0.000 0.190 232 E C 1.578 178.095 176.600 -0.138 0.000 0.982 232 E CA 0.996 57.327 56.400 -0.116 0.000 0.803 232 E CB -0.276 29.387 29.700 -0.061 0.000 0.755 232 E HN 0.356 nan 8.360 nan 0.000 0.453 233 E N 0.620 120.731 120.200 -0.149 0.000 2.396 233 E HA -0.092 4.259 4.350 0.002 0.000 0.200 233 E C 1.234 177.734 176.600 -0.168 0.000 1.023 233 E CA 0.713 57.036 56.400 -0.127 0.000 0.857 233 E CB -0.040 29.606 29.700 -0.089 0.000 0.775 233 E HN 0.316 nan 8.360 nan 0.000 0.525 234 N N -0.800 117.741 118.700 -0.265 0.000 2.181 234 N HA 0.151 4.892 4.740 0.002 0.000 0.207 234 N C -0.246 175.154 175.510 -0.184 0.000 1.182 234 N CA 0.668 53.567 53.050 -0.252 0.000 0.893 234 N CB 1.320 39.552 38.487 -0.426 0.000 1.032 234 N HN 0.023 nan 8.380 nan 0.000 0.513 235 A N 0.979 123.700 122.820 -0.165 0.000 2.734 235 A HA -0.181 4.140 4.320 0.002 0.000 0.296 235 A C -0.720 176.794 177.584 -0.116 0.000 1.474 235 A CA 0.449 52.418 52.037 -0.113 0.000 0.735 235 A CB -1.962 16.992 19.000 -0.078 0.000 1.062 235 A HN 0.142 nan 8.150 nan 0.000 0.463 236 L N 0.488 121.617 121.223 -0.157 0.000 2.334 236 L HA 0.574 4.916 4.340 0.002 0.000 0.276 236 L C 1.035 177.852 176.870 -0.089 0.000 1.014 236 L CA -0.050 54.711 54.840 -0.133 0.000 0.815 236 L CB 1.467 43.400 42.059 -0.209 0.000 1.268 236 L HN 0.486 nan 8.230 nan 0.000 0.428 237 D N 1.213 121.580 120.400 -0.054 0.000 2.468 237 D HA 0.033 4.674 4.640 0.002 0.000 0.243 237 D C 0.339 176.627 176.300 -0.020 0.000 0.994 237 D CA 0.529 54.508 54.000 -0.034 0.000 0.932 237 D CB 0.679 41.462 40.800 -0.029 0.000 1.078 237 D HN 0.320 nan 8.370 nan 0.000 0.473 238 K N 1.287 121.678 120.400 -0.016 0.000 2.205 238 K HA 0.441 4.763 4.320 0.002 0.000 0.279 238 K C -0.814 175.796 176.600 0.016 0.000 1.027 238 K CA -0.230 56.055 56.287 -0.004 0.000 0.932 238 K CB 1.888 34.382 32.500 -0.009 0.000 1.032 238 K HN -0.178 nan 8.250 nan 0.000 0.466 239 V N 4.495 124.433 119.914 0.040 0.000 3.007 239 V HA 0.541 4.662 4.120 0.002 0.000 0.311 239 V C -0.712 175.415 176.094 0.056 0.000 1.120 239 V CA -0.934 61.418 62.300 0.086 0.000 0.980 239 V CB 2.223 34.145 31.823 0.166 0.000 1.033 239 V HN 0.658 nan 8.190 nan 0.000 0.429 240 I N 2.274 122.862 120.570 0.031 0.000 2.571 240 I HA 0.409 4.580 4.170 0.002 0.000 0.286 240 I C -0.753 175.368 176.117 0.006 0.000 1.134 240 I CA -0.576 60.732 61.300 0.014 0.000 1.052 240 I CB 2.098 40.069 38.000 -0.048 0.000 1.237 240 I HN 0.267 nan 8.210 nan 0.000 0.435 241 V N 6.632 126.587 119.914 0.068 0.000 2.863 241 V HA 0.531 4.652 4.120 0.002 0.000 0.307 241 V C -0.219 175.790 176.094 -0.141 0.000 1.061 241 V CA -0.543 61.795 62.300 0.064 0.000 1.024 241 V CB 2.188 34.164 31.823 0.255 0.000 1.049 241 V HN 0.543 nan 8.190 nan 0.000 0.471 242 L N 3.045 124.157 121.223 -0.184 0.000 2.588 242 L HA 0.405 4.746 4.340 0.002 0.000 0.263 242 L C -1.486 175.252 176.870 -0.221 0.000 0.935 242 L CA -0.443 54.236 54.840 -0.268 0.000 0.891 242 L CB 1.611 43.584 42.059 -0.144 0.000 1.318 242 L HN 0.832 nan 8.230 nan 0.000 0.409 243 W N 5.336 126.382 121.300 -0.424 0.000 2.388 243 W HA 0.309 4.970 4.660 0.002 0.000 0.308 243 W C -0.418 175.996 176.519 -0.175 0.000 1.263 243 W CA 0.011 57.185 57.345 -0.285 0.000 1.286 243 W CB 1.449 30.775 29.460 -0.223 0.000 1.294 243 W HN 0.653 nan 8.180 nan 0.000 0.493 244 T N 4.499 118.738 114.554 -0.526 0.000 3.571 244 T HA 0.451 4.802 4.350 0.002 0.000 0.292 244 T C 0.101 174.519 174.700 -0.470 0.000 0.994 244 T CA 0.085 61.995 62.100 -0.317 0.000 0.996 244 T CB -0.650 68.104 68.868 -0.190 0.000 1.185 244 T HN 0.435 nan 8.240 nan 0.000 0.482 245 A N 1.627 123.885 122.820 -0.938 0.000 3.068 245 A HA 0.688 5.009 4.320 0.002 0.000 0.229 245 A C 0.733 178.234 177.584 -0.139 0.000 1.561 245 A CA -0.753 50.876 52.037 -0.681 0.000 0.876 245 A CB 0.195 18.459 19.000 -1.227 0.000 1.700 245 A HN 0.768 nan 8.150 nan 0.000 0.535 246 N N -1.015 117.688 118.700 0.004 0.000 2.204 246 N HA 0.066 4.807 4.740 0.002 0.000 0.232 246 N C -0.767 174.936 175.510 0.323 0.000 1.340 246 N CA 0.482 53.626 53.050 0.156 0.000 0.883 246 N CB -0.014 38.571 38.487 0.164 0.000 1.109 246 N HN 0.363 nan 8.380 nan 0.000 0.470 247 T N 0.188 114.879 114.554 0.228 0.000 2.786 247 T HA 0.233 4.584 4.350 0.002 0.000 0.283 247 T C -0.412 174.387 174.700 0.165 0.000 0.992 247 T CA -0.564 61.654 62.100 0.197 0.000 0.954 247 T CB 1.253 70.209 68.868 0.145 0.000 0.934 247 T HN 0.434 nan 8.240 nan 0.000 0.440 248 E N 1.986 122.262 120.200 0.126 0.000 2.561 248 E HA 0.446 4.798 4.350 0.002 0.000 0.254 248 E C 0.061 176.765 176.600 0.174 0.000 1.213 248 E CA -1.104 55.380 56.400 0.140 0.000 0.995 248 E CB 1.000 30.737 29.700 0.061 0.000 1.233 248 E HN 0.361 nan 8.360 nan 0.000 0.556 249 R N 0.710 121.349 120.500 0.232 0.000 2.357 249 R HA 0.210 4.551 4.340 0.002 0.000 0.296 249 R C -0.538 175.944 176.300 0.303 0.000 1.052 249 R CA -0.529 55.708 56.100 0.228 0.000 0.988 249 R CB 0.186 30.587 30.300 0.168 0.000 1.025 249 R HN 0.439 nan 8.270 nan 0.000 0.469 250 Y N 1.161 121.491 120.300 0.050 0.000 2.607 250 Y HA -0.052 4.499 4.550 0.002 0.000 0.348 250 Y C 0.936 176.878 175.900 0.070 0.000 1.261 250 Y CA -0.219 57.900 58.100 0.031 0.000 1.480 250 Y CB 0.474 38.947 38.460 0.021 0.000 1.358 250 Y HN 0.317 nan 8.280 nan 0.000 0.630 251 V N 0.213 120.209 119.914 0.137 0.000 2.483 251 V HA 0.399 4.520 4.120 0.002 0.000 0.295 251 V C -0.229 175.936 176.094 0.119 0.000 1.035 251 V CA -1.377 61.003 62.300 0.134 0.000 0.896 251 V CB 1.598 33.454 31.823 0.055 0.000 0.986 251 V HN 0.781 nan 8.190 nan 0.000 0.447 252 E N 3.420 123.696 120.200 0.125 0.000 1.985 252 E HA 0.219 4.571 4.350 0.002 0.000 0.268 252 E C -0.142 176.512 176.600 0.091 0.000 1.219 252 E CA -0.397 56.065 56.400 0.103 0.000 0.942 252 E CB 1.199 30.955 29.700 0.092 0.000 1.045 252 E HN 0.899 nan 8.360 nan 0.000 0.413 253 V N 4.732 124.690 119.914 0.073 0.000 2.450 253 V HA 0.085 4.206 4.120 0.002 0.000 0.281 253 V C -0.749 175.379 176.094 0.057 0.000 1.019 253 V CA 0.388 62.723 62.300 0.058 0.000 1.062 253 V CB 0.657 32.507 31.823 0.045 0.000 0.979 253 V HN 0.601 nan 8.190 nan 0.000 0.477 254 S N 8.860 124.594 115.700 0.057 0.000 2.500 254 S HA 0.532 5.003 4.470 0.002 0.000 0.301 254 S C -2.710 171.904 174.600 0.023 0.000 1.092 254 S CA -1.013 57.216 58.200 0.049 0.000 1.030 254 S CB 2.059 65.304 63.200 0.074 0.000 1.031 254 S HN 0.809 nan 8.310 nan 0.000 0.483 255 P HA 0.126 nan 4.420 nan 0.000 0.250 255 P C 0.762 178.057 177.300 -0.007 0.000 1.198 255 P CA 0.883 63.988 63.100 0.009 0.000 1.118 255 P CB -0.405 31.303 31.700 0.014 0.000 1.208 256 G N 1.921 110.706 108.800 -0.025 0.000 2.624 256 G HA2 -0.219 3.742 3.960 0.002 0.000 0.190 256 G HA3 -0.219 3.742 3.960 0.002 0.000 0.190 256 G C 0.537 175.376 174.900 -0.102 0.000 1.008 256 G CA 0.174 45.245 45.100 -0.048 0.000 0.731 256 G HN 0.471 nan 8.290 nan 0.000 0.478 257 V N -0.325 119.508 119.914 -0.135 0.000 2.599 257 V HA 0.399 4.520 4.120 0.002 0.000 0.237 257 V C 0.918 176.945 176.094 -0.112 0.000 1.081 257 V CA 1.865 64.018 62.300 -0.246 0.000 1.107 257 V CB -0.227 31.303 31.823 -0.488 0.000 0.808 257 V HN 0.738 nan 8.190 nan 0.000 0.486 258 N N -0.054 118.618 118.700 -0.046 0.000 2.610 258 N HA 0.213 4.954 4.740 0.002 0.000 0.307 258 N C -0.087 175.427 175.510 0.007 0.000 1.813 258 N CA 0.249 53.294 53.050 -0.009 0.000 0.901 258 N CB 0.611 39.103 38.487 0.008 0.000 1.354 258 N HN 0.587 nan 8.380 nan 0.000 0.491 259 D N -0.188 120.215 120.400 0.005 0.000 2.394 259 D HA -0.018 4.623 4.640 0.002 0.000 0.226 259 D C 0.581 176.896 176.300 0.026 0.000 0.990 259 D CA 0.895 54.906 54.000 0.018 0.000 0.902 259 D CB -0.192 40.617 40.800 0.016 0.000 1.038 259 D HN 0.294 nan 8.370 nan 0.000 0.499 260 T N -2.427 112.139 114.554 0.021 0.000 2.930 260 T HA 0.417 4.768 4.350 0.002 0.000 0.290 260 T C 1.150 175.868 174.700 0.030 0.000 1.052 260 T CA -0.851 61.268 62.100 0.031 0.000 1.017 260 T CB 2.467 71.353 68.868 0.030 0.000 1.137 260 T HN -0.038 nan 8.240 nan 0.000 0.511 261 M N 0.900 120.526 119.600 0.042 0.000 2.443 261 M HA -0.199 4.282 4.480 0.002 0.000 0.267 261 M C 1.988 178.306 176.300 0.028 0.000 1.069 261 M CA 2.261 57.584 55.300 0.038 0.000 1.085 261 M CB -0.667 31.965 32.600 0.053 0.000 1.243 261 M HN 0.806 nan 8.290 nan 0.000 0.464 262 E N 0.901 121.118 120.200 0.029 0.000 2.301 262 E HA -0.293 4.058 4.350 0.002 0.000 0.224 262 E C 1.459 178.062 176.600 0.004 0.000 1.092 262 E CA 2.691 59.101 56.400 0.016 0.000 0.913 262 E CB -0.818 28.891 29.700 0.015 0.000 0.776 262 E HN 0.722 nan 8.360 nan 0.000 0.465 263 N N -0.850 117.850 118.700 -0.001 0.000 2.173 263 N HA -0.055 4.686 4.740 0.002 0.000 0.184 263 N C 1.642 177.142 175.510 -0.017 0.000 1.025 263 N CA 0.543 53.580 53.050 -0.022 0.000 0.852 263 N CB -0.108 38.360 38.487 -0.032 0.000 0.998 263 N HN 0.007 nan 8.380 nan 0.000 0.427 264 L N 1.690 122.915 121.223 0.002 0.000 1.951 264 L HA -0.197 4.144 4.340 0.002 0.000 0.222 264 L C 1.867 178.771 176.870 0.057 0.000 1.078 264 L CA 1.629 56.479 54.840 0.016 0.000 0.778 264 L CB -0.835 41.236 42.059 0.020 0.000 0.893 264 L HN 0.195 nan 8.230 nan 0.000 0.436 265 L N -1.046 120.233 121.223 0.093 0.000 2.034 265 L HA -0.329 4.012 4.340 0.002 0.000 0.217 265 L C 2.672 179.641 176.870 0.166 0.000 1.077 265 L CA 1.778 56.749 54.840 0.219 0.000 0.769 265 L CB -0.826 41.366 42.059 0.222 0.000 0.890 265 L HN 0.447 nan 8.230 nan 0.000 0.435 266 Q N 0.067 119.891 119.800 0.041 0.000 2.045 266 Q HA -0.192 4.150 4.340 0.002 0.000 0.206 266 Q C 2.356 178.355 176.000 -0.002 0.000 0.991 266 Q CA 2.421 58.211 55.803 -0.023 0.000 0.851 266 Q CB -0.392 28.319 28.738 -0.044 0.000 0.911 266 Q HN 0.404 nan 8.270 nan 0.000 0.418 267 S N -0.010 115.687 115.700 -0.006 0.000 2.387 267 S HA -0.157 4.314 4.470 0.002 0.000 0.230 267 S C 1.872 176.531 174.600 0.098 0.000 1.035 267 S CA 1.308 59.505 58.200 -0.005 0.000 1.014 267 S CB -0.412 62.740 63.200 -0.080 0.000 0.836 267 S HN 0.387 nan 8.310 nan 0.000 0.466 268 I N 1.504 122.157 120.570 0.139 0.000 2.099 268 I HA -0.286 3.885 4.170 0.002 0.000 0.239 268 I C 2.397 178.645 176.117 0.218 0.000 1.066 268 I CA 1.445 62.869 61.300 0.206 0.000 1.324 268 I CB -0.415 37.767 38.000 0.303 0.000 1.037 268 I HN 0.272 nan 8.210 nan 0.000 0.401 269 K N 0.670 121.196 120.400 0.210 0.000 2.127 269 K HA -0.229 4.092 4.320 0.002 0.000 0.208 269 K C 1.605 178.223 176.600 0.029 0.000 1.047 269 K CA 1.947 58.266 56.287 0.054 0.000 0.927 269 K CB -0.497 31.874 32.500 -0.215 0.000 0.716 269 K HN 0.488 nan 8.250 nan 0.000 0.450 270 N N 0.617 119.339 118.700 0.037 0.000 2.515 270 N HA -0.088 4.653 4.740 0.002 0.000 0.185 270 N C -0.743 174.806 175.510 0.065 0.000 1.109 270 N CA 0.105 53.180 53.050 0.042 0.000 0.903 270 N CB 0.181 38.701 38.487 0.055 0.000 0.969 270 N HN 0.082 nan 8.380 nan 0.000 0.450 271 D N 0.246 120.694 120.400 0.079 0.000 2.716 271 D HA -0.189 4.452 4.640 0.002 0.000 0.239 271 D C -0.181 176.162 176.300 0.072 0.000 1.125 271 D CA 0.847 54.877 54.000 0.050 0.000 0.681 271 D CB -1.806 38.993 40.800 -0.000 0.000 1.070 271 D HN 0.455 nan 8.370 nan 0.000 0.432 272 H N 0.955 120.034 119.070 0.015 0.000 2.852 272 H HA 0.061 4.618 4.556 0.002 0.000 0.362 272 H C 1.723 177.072 175.328 0.036 0.000 1.122 272 H CA 1.037 57.098 56.048 0.022 0.000 1.419 272 H CB 0.944 30.725 29.762 0.031 0.000 1.401 272 H HN 0.176 nan 8.280 nan 0.000 0.609 273 E N 3.271 123.301 120.200 -0.284 0.000 2.285 273 E HA -0.155 4.196 4.350 0.002 0.000 0.194 273 E C 0.559 177.258 176.600 0.165 0.000 0.997 273 E CA 1.120 57.474 56.400 -0.077 0.000 0.845 273 E CB -0.054 29.552 29.700 -0.156 0.000 0.782 273 E HN 0.842 nan 8.360 nan 0.000 0.491 274 E N 0.570 120.836 120.200 0.110 0.000 2.516 274 E HA 0.021 4.372 4.350 0.002 0.000 0.199 274 E C 0.213 176.916 176.600 0.171 0.000 1.069 274 E CA -0.005 56.550 56.400 0.258 0.000 0.876 274 E CB 0.164 30.042 29.700 0.296 0.000 0.843 274 E HN 0.241 nan 8.360 nan 0.000 0.530 275 I N 1.835 122.484 120.570 0.133 0.000 2.337 275 I HA 0.208 4.380 4.170 0.002 0.000 0.291 275 I C 0.357 176.341 176.117 -0.221 0.000 1.046 275 I CA -0.308 60.989 61.300 -0.005 0.000 1.324 275 I CB 0.472 38.520 38.000 0.080 0.000 1.409 275 I HN -0.118 nan 8.210 nan 0.000 0.494 276 A N 8.688 131.199 122.820 -0.515 0.000 2.322 276 A HA 0.728 5.049 4.320 0.002 0.000 0.327 276 A C -1.813 175.540 177.584 -0.384 0.000 1.134 276 A CA -1.561 49.922 52.037 -0.923 0.000 0.831 276 A CB 0.943 19.060 19.000 -1.472 0.000 1.288 276 A HN 0.445 nan 8.150 nan 0.000 0.472 277 P HA -0.276 nan 4.420 nan 0.000 0.217 277 P C 1.806 179.083 177.300 -0.039 0.000 1.162 277 P CA 2.992 65.975 63.100 -0.194 0.000 0.901 277 P CB 0.045 31.670 31.700 -0.125 0.000 0.793 278 S N -2.173 113.308 115.700 -0.364 0.000 2.399 278 S HA -0.161 4.310 4.470 0.002 0.000 0.231 278 S C 1.857 176.237 174.600 -0.367 0.000 1.022 278 S CA 1.986 59.860 58.200 -0.544 0.000 0.983 278 S CB -1.977 60.434 63.200 -1.316 0.000 0.803 278 S HN 0.151 nan 8.310 nan 0.000 0.480 279 T N 2.881 117.220 114.554 -0.359 0.000 2.684 279 T HA -0.044 4.307 4.350 0.002 0.000 0.267 279 T C 1.690 176.261 174.700 -0.215 0.000 1.036 279 T CA 1.750 63.678 62.100 -0.288 0.000 1.148 279 T CB -0.567 68.168 68.868 -0.223 0.000 0.863 279 T HN 0.353 nan 8.240 nan 0.000 0.436 280 I N 0.370 120.858 120.570 -0.137 0.000 2.142 280 I HA -0.050 4.121 4.170 0.002 0.000 0.240 280 I C 2.033 178.034 176.117 -0.193 0.000 1.078 280 I CA 1.278 62.486 61.300 -0.153 0.000 1.343 280 I CB -0.678 37.242 38.000 -0.132 0.000 1.046 280 I HN 0.095 nan 8.210 nan 0.000 0.405 281 F N 0.709 120.508 119.950 -0.252 0.000 2.154 281 F HA -0.312 4.216 4.527 0.002 0.000 0.301 281 F C 2.467 178.078 175.800 -0.316 0.000 1.087 281 F CA 1.605 59.474 58.000 -0.218 0.000 1.274 281 F CB -0.954 38.017 39.000 -0.048 0.000 1.009 281 F HN 0.052 nan 8.300 nan 0.000 0.485 282 A N -0.151 122.352 122.820 -0.528 0.000 1.855 282 A HA -0.040 4.281 4.320 0.002 0.000 0.215 282 A C 2.428 179.781 177.584 -0.385 0.000 1.191 282 A CA 1.724 53.139 52.037 -1.037 0.000 0.613 282 A CB -1.399 17.013 19.000 -0.980 0.000 0.829 282 A HN 0.297 nan 8.150 nan 0.000 0.442 283 A N -0.148 122.513 122.820 -0.265 0.000 1.908 283 A HA 0.112 4.433 4.320 0.002 0.000 0.218 283 A C 2.501 179.987 177.584 -0.163 0.000 1.181 283 A CA 2.338 54.271 52.037 -0.173 0.000 0.627 283 A CB -1.056 17.844 19.000 -0.167 0.000 0.818 283 A HN 1.050 nan 8.150 nan 0.000 0.445 284 A N -0.646 122.059 122.820 -0.192 0.000 1.845 284 A HA -0.081 4.240 4.320 0.002 0.000 0.215 284 A C 2.438 179.991 177.584 -0.053 0.000 1.195 284 A CA 2.086 54.024 52.037 -0.164 0.000 0.616 284 A CB -1.167 17.702 19.000 -0.218 0.000 0.832 284 A HN 0.455 nan 8.150 nan 0.000 0.443 285 S N -0.092 115.619 115.700 0.020 0.000 2.381 285 S HA -0.225 4.246 4.470 0.002 0.000 0.230 285 S C 1.813 176.471 174.600 0.096 0.000 1.052 285 S CA 1.818 60.105 58.200 0.144 0.000 1.068 285 S CB -0.631 62.782 63.200 0.355 0.000 0.918 285 S HN 0.508 nan 8.310 nan 0.000 0.448 286 I N 0.841 121.438 120.570 0.045 0.000 2.179 286 I HA -0.184 3.987 4.170 0.002 0.000 0.242 286 I C 1.955 178.081 176.117 0.015 0.000 1.088 286 I CA 0.860 62.183 61.300 0.037 0.000 1.357 286 I CB -0.371 37.633 38.000 0.008 0.000 1.051 286 I HN 0.244 nan 8.210 nan 0.000 0.409 287 L N 0.322 121.534 121.223 -0.019 0.000 2.079 287 L HA -0.192 4.149 4.340 0.002 0.000 0.210 287 L C 2.268 179.139 176.870 0.001 0.000 1.081 287 L CA 1.746 56.571 54.840 -0.026 0.000 0.752 287 L CB -1.188 40.831 42.059 -0.068 0.000 0.896 287 L HN 0.269 nan 8.230 nan 0.000 0.433 288 E N -0.317 119.892 120.200 0.015 0.000 2.502 288 E HA 0.100 4.452 4.350 0.002 0.000 0.194 288 E C 1.310 177.935 176.600 0.042 0.000 1.062 288 E CA 0.641 57.061 56.400 0.034 0.000 0.867 288 E CB -0.218 29.516 29.700 0.057 0.000 0.888 288 E HN 0.456 nan 8.360 nan 0.000 0.510 289 G N 1.702 110.526 108.800 0.041 0.000 2.305 289 G HA2 -0.275 3.687 3.960 0.002 0.000 0.287 289 G HA3 -0.275 3.687 3.960 0.002 0.000 0.287 289 G C 0.174 175.099 174.900 0.041 0.000 1.036 289 G CA 0.717 45.839 45.100 0.037 0.000 0.887 289 G HN 0.282 nan 8.290 nan 0.000 0.505 290 V N -0.099 119.864 119.914 0.080 0.000 2.459 290 V HA 0.753 4.874 4.120 0.002 0.000 0.295 290 V C -2.063 174.121 176.094 0.151 0.000 1.029 290 V CA -2.497 59.862 62.300 0.099 0.000 0.874 290 V CB 1.853 33.752 31.823 0.128 0.000 0.985 290 V HN 0.066 nan 8.190 nan 0.000 0.438 291 P HA 0.059 nan 4.420 nan 0.000 0.262 291 P C -1.703 175.751 177.300 0.255 0.000 1.182 291 P CA 0.641 63.872 63.100 0.218 0.000 0.761 291 P CB -0.115 31.709 31.700 0.206 0.000 0.795 292 Y N 4.404 124.813 120.300 0.183 0.000 2.341 292 Y HA 0.547 5.098 4.550 0.002 0.000 0.338 292 Y C -0.552 175.506 175.900 0.265 0.000 0.965 292 Y CA -0.722 57.508 58.100 0.215 0.000 1.108 292 Y CB 0.911 39.519 38.460 0.247 0.000 1.180 292 Y HN 0.213 nan 8.280 nan 0.000 0.458 293 I N 6.212 126.676 120.570 -0.176 0.000 2.362 293 I HA 0.228 4.399 4.170 0.002 0.000 0.289 293 I C -0.408 175.672 176.117 -0.062 0.000 0.994 293 I CA -0.581 60.727 61.300 0.013 0.000 1.158 293 I CB 1.504 39.495 38.000 -0.014 0.000 1.315 293 I HN 0.652 nan 8.210 nan 0.000 0.451 294 N N 4.896 123.735 118.700 0.231 0.000 2.602 294 N HA 0.162 4.903 4.740 0.002 0.000 0.238 294 N C 1.037 176.624 175.510 0.128 0.000 1.084 294 N CA -0.181 52.934 53.050 0.109 0.000 0.952 294 N CB 0.911 39.348 38.487 -0.083 0.000 1.244 294 N HN 0.905 nan 8.380 nan 0.000 0.512 295 G N 1.373 110.269 108.800 0.160 0.000 2.744 295 G HA2 -0.089 3.873 3.960 0.002 0.000 0.211 295 G HA3 -0.089 3.873 3.960 0.002 0.000 0.211 295 G C 0.452 175.457 174.900 0.176 0.000 1.143 295 G CA 0.069 45.261 45.100 0.153 0.000 0.788 295 G HN 0.515 nan 8.290 nan 0.000 0.534 296 S N 0.532 116.359 115.700 0.212 0.000 2.607 296 S HA 0.694 5.165 4.470 0.002 0.000 0.303 296 S C -2.969 171.667 174.600 0.061 0.000 1.086 296 S CA -1.717 56.587 58.200 0.174 0.000 0.995 296 S CB 2.773 66.170 63.200 0.328 0.000 1.084 296 S HN -0.062 nan 8.310 nan 0.000 0.507 297 P HA 0.262 nan 4.420 nan 0.000 0.276 297 P C -1.360 175.991 177.300 0.085 0.000 1.230 297 P CA 0.183 63.352 63.100 0.115 0.000 0.776 297 P CB 0.361 32.162 31.700 0.168 0.000 0.888 298 Q N 1.396 121.166 119.800 -0.049 0.000 3.191 298 Q HA 0.013 4.354 4.340 0.002 0.000 0.172 298 Q C -1.197 174.390 176.000 -0.689 0.000 1.015 298 Q CA -0.815 54.746 55.803 -0.404 0.000 1.081 298 Q CB -1.220 27.369 28.738 -0.247 0.000 2.182 298 Q HN 0.385 nan 8.270 nan 0.000 0.576 299 N N 1.257 119.357 118.700 -1.000 0.000 3.111 299 N HA -0.018 4.723 4.740 0.002 0.000 0.302 299 N C 0.962 176.221 175.510 -0.419 0.000 1.317 299 N CA 0.608 53.294 53.050 -0.608 0.000 1.151 299 N CB 0.595 38.738 38.487 -0.573 0.000 1.456 299 N HN 0.817 nan 8.380 nan 0.000 0.547 300 T N -1.978 112.257 114.554 -0.532 0.000 2.833 300 T HA -0.097 4.254 4.350 0.002 0.000 0.269 300 T C 0.628 175.078 174.700 -0.417 0.000 1.054 300 T CA 0.562 62.320 62.100 -0.570 0.000 1.135 300 T CB -0.733 67.641 68.868 -0.823 0.000 0.869 300 T HN 0.313 nan 8.240 nan 0.000 0.466 301 F N 4.070 123.913 119.950 -0.178 0.000 2.705 301 F HA 0.328 4.856 4.527 0.002 0.000 0.355 301 F C 0.879 176.625 175.800 -0.091 0.000 1.172 301 F CA -1.315 56.616 58.000 -0.115 0.000 1.332 301 F CB -0.488 38.472 39.000 -0.066 0.000 1.621 301 F HN 0.073 nan 8.300 nan 0.000 0.605 302 V N -0.483 119.460 119.914 0.048 0.000 3.139 302 V HA 0.021 4.142 4.120 0.002 0.000 0.307 302 V C -1.085 175.045 176.094 0.061 0.000 1.095 302 V CA -1.454 60.865 62.300 0.032 0.000 1.160 302 V CB 0.273 32.095 31.823 -0.002 0.000 1.003 302 V HN 0.115 nan 8.190 nan 0.000 0.489 303 P HA -0.197 nan 4.420 nan 0.000 0.216 303 P C 1.653 178.985 177.300 0.052 0.000 1.157 303 P CA 2.475 65.609 63.100 0.057 0.000 0.880 303 P CB -0.283 31.448 31.700 0.051 0.000 0.791 304 G N 0.147 108.970 108.800 0.039 0.000 2.469 304 G HA2 -0.265 3.696 3.960 0.002 0.000 0.219 304 G HA3 -0.265 3.696 3.960 0.002 0.000 0.219 304 G C 1.589 176.510 174.900 0.035 0.000 1.150 304 G CA 0.770 45.890 45.100 0.033 0.000 0.763 304 G HN 0.235 nan 8.290 nan 0.000 0.561 305 L N 0.689 121.934 121.223 0.037 0.000 2.027 305 L HA 0.040 4.381 4.340 0.002 0.000 0.206 305 L C 3.063 179.963 176.870 0.050 0.000 1.074 305 L CA 1.169 56.032 54.840 0.039 0.000 0.745 305 L CB -0.568 41.522 42.059 0.052 0.000 0.898 305 L HN 0.104 nan 8.230 nan 0.000 0.433 306 V N -0.585 119.364 119.914 0.059 0.000 2.282 306 V HA -0.395 3.727 4.120 0.002 0.000 0.249 306 V C 2.563 178.685 176.094 0.046 0.000 1.057 306 V CA 2.025 64.342 62.300 0.029 0.000 1.032 306 V CB -0.780 31.069 31.823 0.042 0.000 0.645 306 V HN 0.536 nan 8.190 nan 0.000 0.447 307 Q N -0.231 119.609 119.800 0.066 0.000 1.998 307 Q HA -0.254 4.087 4.340 0.002 0.000 0.209 307 Q C 2.227 178.285 176.000 0.096 0.000 1.002 307 Q CA 2.371 58.226 55.803 0.087 0.000 0.858 307 Q CB -0.540 28.245 28.738 0.078 0.000 0.932 307 Q HN 0.601 nan 8.270 nan 0.000 0.416 308 L N -0.451 120.810 121.223 0.064 0.000 2.034 308 L HA -0.332 4.009 4.340 0.002 0.000 0.217 308 L C 2.201 179.107 176.870 0.061 0.000 1.077 308 L CA 1.703 56.566 54.840 0.038 0.000 0.769 308 L CB -0.589 41.472 42.059 0.002 0.000 0.890 308 L HN 0.462 nan 8.230 nan 0.000 0.435 309 A N -0.753 122.093 122.820 0.044 0.000 1.877 309 A HA -0.290 4.031 4.320 0.002 0.000 0.216 309 A C 2.041 179.660 177.584 0.059 0.000 1.186 309 A CA 1.959 54.018 52.037 0.036 0.000 0.620 309 A CB -0.595 18.393 19.000 -0.019 0.000 0.822 309 A HN 0.542 nan 8.150 nan 0.000 0.443 310 E N -1.438 118.801 120.200 0.065 0.000 2.085 310 E HA -0.234 4.117 4.350 0.002 0.000 0.194 310 E C 2.090 178.773 176.600 0.138 0.000 0.994 310 E CA 1.269 57.722 56.400 0.089 0.000 0.801 310 E CB -0.209 29.568 29.700 0.127 0.000 0.743 310 E HN 0.770 nan 8.360 nan 0.000 0.453 311 H N 1.092 120.190 119.070 0.047 0.000 2.276 311 H HA -0.070 4.487 4.556 0.002 0.000 0.301 311 H C 1.628 176.981 175.328 0.041 0.000 1.073 311 H CA 1.586 57.662 56.048 0.047 0.000 1.311 311 H CB 0.183 29.972 29.762 0.044 0.000 1.379 311 H HN 0.120 nan 8.280 nan 0.000 0.494 312 E N 0.278 120.693 120.200 0.359 0.000 2.338 312 E HA -0.029 4.322 4.350 0.002 0.000 0.197 312 E C 1.143 177.827 176.600 0.139 0.000 1.007 312 E CA 0.816 57.356 56.400 0.233 0.000 0.849 312 E CB -0.396 29.363 29.700 0.099 0.000 0.774 312 E HN 0.698 nan 8.360 nan 0.000 0.506 313 G N 1.851 110.723 108.800 0.120 0.000 2.289 313 G HA2 -0.254 3.707 3.960 0.002 0.000 0.280 313 G HA3 -0.254 3.707 3.960 0.002 0.000 0.280 313 G C 0.020 174.966 174.900 0.076 0.000 1.089 313 G CA 0.815 45.969 45.100 0.090 0.000 0.939 313 G HN 0.304 nan 8.290 nan 0.000 0.499 314 T N -0.394 114.215 114.554 0.091 0.000 2.848 314 T HA 0.590 4.941 4.350 0.002 0.000 0.285 314 T C 0.594 175.427 174.700 0.221 0.000 0.995 314 T CA -0.672 61.486 62.100 0.098 0.000 0.970 314 T CB 0.378 69.290 68.868 0.072 0.000 0.976 314 T HN 0.334 nan 8.240 nan 0.000 0.441 315 F N 5.242 125.201 119.950 0.014 0.000 2.642 315 F HA 0.205 4.733 4.527 0.002 0.000 0.371 315 F C 0.954 176.752 175.800 -0.002 0.000 1.120 315 F CA -0.231 57.766 58.000 -0.006 0.000 1.331 315 F CB 0.346 39.363 39.000 0.028 0.000 1.044 315 F HN 0.497 nan 8.300 nan 0.000 0.594 316 I N 0.391 120.985 120.570 0.039 0.000 3.006 316 I HA 0.956 5.127 4.170 0.002 0.000 0.306 316 I C -1.103 174.905 176.117 -0.182 0.000 1.250 316 I CA -0.848 60.407 61.300 -0.076 0.000 0.996 316 I CB 2.226 39.998 38.000 -0.381 0.000 1.261 316 I HN 0.630 nan 8.210 nan 0.000 0.442 317 A N 2.157 124.921 122.820 -0.094 0.000 2.438 317 A HA 0.960 5.281 4.320 0.002 0.000 0.301 317 A C -0.222 177.509 177.584 0.246 0.000 1.101 317 A CA -0.158 51.874 52.037 -0.009 0.000 0.621 317 A CB 0.470 19.488 19.000 0.031 0.000 1.350 317 A HN 2.650 nan 8.150 nan 0.000 0.496 318 G N -1.189 107.753 108.800 0.237 0.000 2.498 318 G HA2 0.495 4.456 3.960 0.002 0.000 0.651 318 G HA3 0.495 4.456 3.960 0.002 0.000 0.651 318 G C -0.772 174.296 174.900 0.281 0.000 1.284 318 G CA 0.846 46.125 45.100 0.299 0.000 0.950 318 G HN 2.269 nan 8.290 nan 0.000 0.511 319 D N 0.055 120.573 120.400 0.198 0.000 2.906 319 D HA 0.335 4.976 4.640 0.002 0.000 0.160 319 D C -0.587 175.782 176.300 0.115 0.000 1.124 319 D CA 1.328 55.401 54.000 0.121 0.000 0.833 319 D CB -0.731 40.153 40.800 0.138 0.000 0.643 319 D HN 1.067 nan 8.370 nan 0.000 0.366 320 D N -0.034 120.430 120.400 0.107 0.000 10.441 320 D HA -0.172 4.469 4.640 0.002 0.000 0.313 320 D C -0.519 175.854 176.300 0.121 0.000 2.994 320 D CA 0.327 54.394 54.000 0.111 0.000 2.691 320 D CB 0.148 41.009 40.800 0.102 0.000 1.149 320 D HN 0.303 nan 8.370 nan 0.000 0.886 321 L N 2.495 123.788 121.223 0.117 0.000 2.380 321 L HA 0.148 4.489 4.340 0.002 0.000 0.273 321 L C 1.277 178.213 176.870 0.110 0.000 1.138 321 L CA 0.429 55.344 54.840 0.125 0.000 0.832 321 L CB 0.541 42.662 42.059 0.103 0.000 1.124 321 L HN 0.180 nan 8.230 nan 0.000 0.454 322 K N 2.793 123.267 120.400 0.124 0.000 2.338 322 K HA 0.131 4.452 4.320 0.002 0.000 0.290 322 K C 0.098 176.733 176.600 0.058 0.000 1.069 322 K CA -0.219 56.109 56.287 0.069 0.000 0.941 322 K CB 0.454 32.965 32.500 0.020 0.000 1.023 322 K HN 0.748 nan 8.250 nan 0.000 0.477 323 S N 2.417 118.144 115.700 0.043 0.000 2.568 323 S HA 0.033 4.504 4.470 0.002 0.000 0.282 323 S C 1.266 175.879 174.600 0.022 0.000 1.338 323 S CA -0.181 58.041 58.200 0.037 0.000 1.045 323 S CB 1.359 64.579 63.200 0.033 0.000 0.873 323 S HN 0.707 nan 8.310 nan 0.000 0.516 324 G N 0.821 109.636 108.800 0.025 0.000 2.708 324 G HA2 -0.031 3.930 3.960 0.002 0.000 0.210 324 G HA3 -0.031 3.930 3.960 0.002 0.000 0.210 324 G C 1.127 176.032 174.900 0.007 0.000 1.141 324 G CA 0.559 45.669 45.100 0.016 0.000 0.788 324 G HN 0.732 nan 8.290 nan 0.000 0.531 325 Q N 0.333 120.140 119.800 0.012 0.000 2.387 325 Q HA -0.008 4.333 4.340 0.002 0.000 0.212 325 Q C 2.564 178.579 176.000 0.025 0.000 0.925 325 Q CA 1.573 57.388 55.803 0.019 0.000 0.901 325 Q CB -0.198 28.552 28.738 0.020 0.000 1.020 325 Q HN 0.320 nan 8.270 nan 0.000 0.545 326 T N -1.553 113.012 114.554 0.019 0.000 3.072 326 T HA 0.054 4.405 4.350 0.002 0.000 0.266 326 T C 1.537 176.232 174.700 -0.009 0.000 1.127 326 T CA 0.719 62.830 62.100 0.018 0.000 1.107 326 T CB 0.087 68.967 68.868 0.019 0.000 0.910 326 T HN 0.117 nan 8.240 nan 0.000 0.513 327 K N 0.264 120.645 120.400 -0.032 0.000 2.017 327 K HA 0.204 4.525 4.320 0.002 0.000 0.207 327 K C 2.024 178.592 176.600 -0.053 0.000 1.035 327 K CA 0.473 56.706 56.287 -0.090 0.000 0.947 327 K CB -0.404 32.028 32.500 -0.113 0.000 0.749 327 K HN 0.138 nan 8.250 nan 0.000 0.443 328 L N 2.397 123.606 121.223 -0.023 0.000 2.263 328 L HA -0.203 4.138 4.340 0.002 0.000 0.216 328 L C 1.800 178.696 176.870 0.043 0.000 1.111 328 L CA 1.715 56.556 54.840 0.001 0.000 0.773 328 L CB -0.243 41.824 42.059 0.014 0.000 0.906 328 L HN 0.127 nan 8.230 nan 0.000 0.439 329 K N -1.775 118.669 120.400 0.074 0.000 2.116 329 K HA -0.091 4.230 4.320 0.002 0.000 0.203 329 K C 2.292 178.952 176.600 0.101 0.000 1.052 329 K CA 1.147 57.532 56.287 0.164 0.000 0.952 329 K CB -0.078 32.516 32.500 0.156 0.000 0.729 329 K HN 0.373 nan 8.250 nan 0.000 0.446 330 S N 0.731 116.453 115.700 0.037 0.000 2.335 330 S HA -0.126 4.345 4.470 0.002 0.000 0.216 330 S C 2.061 176.662 174.600 0.002 0.000 1.032 330 S CA 1.372 59.577 58.200 0.009 0.000 1.000 330 S CB -0.339 62.839 63.200 -0.036 0.000 0.928 330 S HN 0.051 nan 8.310 nan 0.000 0.434 331 V N 3.092 122.997 119.914 -0.015 0.000 2.226 331 V HA -0.228 3.893 4.120 0.002 0.000 0.254 331 V C 2.552 178.662 176.094 0.026 0.000 1.065 331 V CA 2.304 64.601 62.300 -0.006 0.000 1.039 331 V CB -0.959 30.846 31.823 -0.031 0.000 0.653 331 V HN 0.559 nan 8.190 nan 0.000 0.450 332 L N 0.130 121.346 121.223 -0.010 0.000 1.990 332 L HA -0.225 4.117 4.340 0.002 0.000 0.213 332 L C 2.568 179.410 176.870 -0.046 0.000 1.072 332 L CA 2.903 57.719 54.840 -0.040 0.000 0.755 332 L CB -1.341 40.613 42.059 -0.175 0.000 0.889 332 L HN 0.423 nan 8.230 nan 0.000 0.432 333 A N -0.969 121.789 122.820 -0.103 0.000 1.972 333 A HA -0.271 4.051 4.320 0.002 0.000 0.219 333 A C 2.112 179.675 177.584 -0.035 0.000 1.169 333 A CA 1.740 53.727 52.037 -0.085 0.000 0.635 333 A CB -0.435 18.572 19.000 0.013 0.000 0.810 333 A HN 0.591 nan 8.150 nan 0.000 0.446 334 Q N -0.721 119.083 119.800 0.007 0.000 1.965 334 Q HA -0.129 4.213 4.340 0.002 0.000 0.200 334 Q C 1.769 177.767 176.000 -0.003 0.000 0.981 334 Q CA 2.077 57.884 55.803 0.006 0.000 0.834 334 Q CB -0.705 28.049 28.738 0.027 0.000 0.900 334 Q HN 0.629 nan 8.270 nan 0.000 0.426 335 F N 0.185 120.096 119.950 -0.066 0.000 2.141 335 F HA -0.292 4.236 4.527 0.002 0.000 0.300 335 F C 1.417 177.176 175.800 -0.068 0.000 1.079 335 F CA 1.341 59.304 58.000 -0.061 0.000 1.264 335 F CB -0.509 38.451 39.000 -0.067 0.000 1.011 335 F HN 0.249 nan 8.300 nan 0.000 0.487 336 L N 0.598 121.558 121.223 -0.440 0.000 1.976 336 L HA -0.137 4.204 4.340 0.002 0.000 0.209 336 L C 2.868 179.527 176.870 -0.352 0.000 1.071 336 L CA 2.032 56.576 54.840 -0.493 0.000 0.746 336 L CB -1.334 40.592 42.059 -0.223 0.000 0.890 336 L HN 0.313 nan 8.230 nan 0.000 0.432 337 V N -3.247 116.543 119.914 -0.206 0.000 2.427 337 V HA -0.203 3.918 4.120 0.002 0.000 0.248 337 V C 2.065 178.064 176.094 -0.158 0.000 1.051 337 V CA 1.891 64.103 62.300 -0.148 0.000 1.048 337 V CB -0.956 30.816 31.823 -0.085 0.000 0.666 337 V HN 0.304 nan 8.190 nan 0.000 0.456 338 D N 1.398 121.695 120.400 -0.170 0.000 2.265 338 D HA -0.031 4.610 4.640 0.002 0.000 0.208 338 D C 1.754 177.951 176.300 -0.172 0.000 0.977 338 D CA 1.763 55.679 54.000 -0.139 0.000 0.871 338 D CB -0.162 40.577 40.800 -0.102 0.000 0.925 338 D HN 0.681 nan 8.370 nan 0.000 0.485 339 A N -1.441 121.215 122.820 -0.274 0.000 2.430 339 A HA 0.550 4.871 4.320 0.002 0.000 0.243 339 A C 1.621 179.092 177.584 -0.189 0.000 1.254 339 A CA 0.650 52.536 52.037 -0.251 0.000 0.914 339 A CB 0.144 18.907 19.000 -0.395 0.000 0.998 339 A HN 0.177 nan 8.150 nan 0.000 0.515 340 G N -0.799 107.902 108.800 -0.165 0.000 2.176 340 G HA2 -0.201 3.760 3.960 0.002 0.000 0.253 340 G HA3 -0.201 3.760 3.960 0.002 0.000 0.253 340 G C -0.064 174.760 174.900 -0.127 0.000 0.979 340 G CA 0.254 45.280 45.100 -0.124 0.000 0.641 340 G HN 0.341 nan 8.290 nan 0.000 0.530 341 I N 0.647 121.120 120.570 -0.161 0.000 2.519 341 I HA 0.397 4.568 4.170 0.002 0.000 0.287 341 I C 0.760 176.805 176.117 -0.120 0.000 1.047 341 I CA -0.562 60.652 61.300 -0.144 0.000 1.381 341 I CB 1.592 39.495 38.000 -0.161 0.000 1.417 341 I HN 0.096 nan 8.210 nan 0.000 0.540 342 K N 7.018 127.353 120.400 -0.109 0.000 2.356 342 K HA 0.403 4.724 4.320 0.002 0.000 0.243 342 K C -2.478 174.082 176.600 -0.066 0.000 1.072 342 K CA -1.650 54.587 56.287 -0.083 0.000 1.014 342 K CB 0.517 32.967 32.500 -0.083 0.000 1.523 342 K HN 0.241 nan 8.250 nan 0.000 0.455 343 P HA -0.117 nan 4.420 nan 0.000 0.260 343 P C -0.019 177.302 177.300 0.035 0.000 1.185 343 P CA 0.086 63.202 63.100 0.027 0.000 0.763 343 P CB 1.143 32.883 31.700 0.067 0.000 0.776 344 V N 2.734 122.671 119.914 0.038 0.000 3.645 344 V HA 0.184 4.305 4.120 0.002 0.000 0.275 344 V C 0.413 176.569 176.094 0.104 0.000 1.356 344 V CA 0.860 63.189 62.300 0.048 0.000 1.051 344 V CB 0.405 32.234 31.823 0.009 0.000 0.828 344 V HN 0.511 nan 8.190 nan 0.000 0.441 345 S N -0.588 115.203 115.700 0.150 0.000 2.556 345 S HA 0.711 5.183 4.470 0.002 0.000 0.271 345 S C -1.275 173.396 174.600 0.117 0.000 1.135 345 S CA -0.443 57.848 58.200 0.151 0.000 0.858 345 S CB 1.958 65.292 63.200 0.224 0.000 1.114 345 S HN 0.161 nan 8.310 nan 0.000 0.468 346 I N 2.776 123.367 120.570 0.036 0.000 2.563 346 I HA 0.494 4.665 4.170 0.002 0.000 0.281 346 I C 0.008 176.066 176.117 -0.098 0.000 1.110 346 I CA -0.174 61.078 61.300 -0.080 0.000 1.073 346 I CB 1.266 39.237 38.000 -0.048 0.000 1.215 346 I HN 0.761 nan 8.210 nan 0.000 0.460 347 A N 3.982 126.723 122.820 -0.133 0.000 2.246 347 A HA 0.913 5.234 4.320 0.002 0.000 0.291 347 A C -0.105 177.418 177.584 -0.102 0.000 1.103 347 A CA -0.189 51.795 52.037 -0.089 0.000 0.844 347 A CB 1.249 20.204 19.000 -0.075 0.000 1.136 347 A HN 0.531 nan 8.150 nan 0.000 0.500 348 S N -2.520 113.161 115.700 -0.032 0.000 2.638 348 S HA 0.703 5.174 4.470 0.002 0.000 0.274 348 S C -1.315 173.375 174.600 0.149 0.000 1.157 348 S CA -0.238 57.971 58.200 0.016 0.000 0.826 348 S CB 1.069 64.282 63.200 0.021 0.000 1.139 348 S HN 0.638 nan 8.310 nan 0.000 0.474 349 Y N 1.669 121.959 120.300 -0.017 0.000 3.118 349 Y HA 0.543 5.094 4.550 0.002 0.000 0.255 349 Y C -0.464 175.442 175.900 0.011 0.000 2.080 349 Y CA -0.067 58.035 58.100 0.004 0.000 0.883 349 Y CB -0.026 38.437 38.460 0.006 0.000 1.413 349 Y HN 0.901 nan 8.280 nan 0.000 0.559 350 N N 1.807 120.631 118.700 0.207 0.000 2.593 350 N HA -0.183 4.558 4.740 0.002 0.000 0.269 350 N C -0.717 174.799 175.510 0.011 0.000 1.356 350 N CA 1.070 54.164 53.050 0.074 0.000 0.884 350 N CB -1.571 36.959 38.487 0.071 0.000 0.913 350 N HN 0.889 nan 8.380 nan 0.000 0.497 410 D N -0.613 119.776 120.400 -0.019 0.000 2.977 410 D HA 0.612 5.253 4.640 0.002 0.000 0.220 410 D C -0.434 175.826 176.300 -0.066 0.000 1.267 410 D CA 0.483 54.462 54.000 -0.036 0.000 0.884 410 D CB 1.888 42.672 40.800 -0.027 0.000 1.667 410 D HN 0.661 nan 8.370 nan 0.000 0.536 411 S N 1.573 117.219 115.700 -0.091 0.000 3.488 411 S HA -0.165 4.306 4.470 0.002 0.000 0.492 411 S C -0.573 173.833 174.600 -0.324 0.000 0.779 411 S CA 0.663 58.779 58.200 -0.139 0.000 1.378 411 S CB -0.585 62.564 63.200 -0.086 0.000 0.924 411 S HN 0.390 nan 8.310 nan 0.000 0.719 412 K N 0.625 120.835 120.400 -0.318 0.000 2.340 412 K HA 0.768 5.089 4.320 0.002 0.000 0.244 412 K C -0.685 175.755 176.600 -0.267 0.000 0.973 412 K CA -0.843 55.151 56.287 -0.489 0.000 0.828 412 K CB 2.274 34.602 32.500 -0.285 0.000 1.226 412 K HN 0.221 nan 8.250 nan 0.000 0.437 413 V N 1.335 121.121 119.914 -0.213 0.000 2.444 413 V HA 0.741 4.863 4.120 0.002 0.000 0.294 413 V C -1.354 174.784 176.094 0.074 0.000 1.022 413 V CA -0.282 61.975 62.300 -0.072 0.000 0.850 413 V CB 1.143 32.966 31.823 0.001 0.000 0.992 413 V HN 0.861 nan 8.190 nan 0.000 0.426 414 A N 6.845 129.698 122.820 0.055 0.000 2.355 414 A HA 0.996 5.318 4.320 0.002 0.000 0.324 414 A C -0.744 176.870 177.584 0.050 0.000 1.117 414 A CA -0.781 51.343 52.037 0.146 0.000 0.785 414 A CB 1.710 20.733 19.000 0.039 0.000 1.254 414 A HN 1.393 nan 8.150 nan 0.000 0.453 415 M N 2.123 121.732 119.600 0.015 0.000 2.234 415 M HA 0.452 4.934 4.480 0.002 0.000 0.267 415 M C -2.419 173.764 176.300 -0.195 0.000 1.022 415 M CA -0.117 55.001 55.300 -0.303 0.000 0.993 415 M CB 1.675 33.605 32.600 -1.117 0.000 1.836 415 M HN 0.588 nan 8.290 nan 0.000 0.479 416 D N 2.946 123.253 120.400 -0.155 0.000 2.505 416 D HA 0.476 5.117 4.640 0.002 0.000 0.249 416 D C -1.364 174.741 176.300 -0.325 0.000 1.082 416 D CA -0.268 53.589 54.000 -0.238 0.000 0.839 416 D CB 1.784 42.433 40.800 -0.252 0.000 1.317 416 D HN 0.625 nan 8.370 nan 0.000 0.497 417 E N 1.529 121.516 120.200 -0.356 0.000 2.187 417 E HA 0.367 4.718 4.350 0.002 0.000 0.268 417 E C -1.304 175.113 176.600 -0.304 0.000 0.896 417 E CA -0.833 55.424 56.400 -0.237 0.000 0.766 417 E CB 0.918 30.555 29.700 -0.104 0.000 1.142 417 E HN 0.362 nan 8.360 nan 0.000 0.408 418 Y N 2.664 123.011 120.300 0.079 0.000 2.335 418 Y HA 0.295 4.846 4.550 0.001 0.000 0.338 418 Y C -0.837 175.181 175.900 0.197 0.000 0.977 418 Y CA -0.935 57.233 58.100 0.114 0.000 1.114 418 Y CB 0.920 39.432 38.460 0.088 0.000 1.182 418 Y HN 0.466 nan 8.280 nan 0.000 0.463 419 Y N 2.886 123.289 120.300 0.172 0.000 2.417 419 Y HA 0.580 5.131 4.550 0.001 0.000 0.336 419 Y C -0.551 175.442 175.900 0.156 0.000 0.961 419 Y CA -1.239 56.947 58.100 0.144 0.000 1.215 419 Y CB 0.729 39.252 38.460 0.105 0.000 1.120 419 Y HN 0.597 nan 8.280 nan 0.000 0.499 420 S N 4.275 119.954 115.700 -0.034 0.000 2.621 420 S HA 0.471 4.943 4.470 0.002 0.000 0.302 420 S C -0.856 173.565 174.600 -0.298 0.000 1.093 420 S CA -1.075 57.050 58.200 -0.124 0.000 1.017 420 S CB 1.588 64.765 63.200 -0.039 0.000 1.077 420 S HN 0.577 nan 8.310 nan 0.000 0.517 421 E N 1.253 121.272 120.200 -0.301 0.000 2.249 421 E HA 0.438 4.789 4.350 0.002 0.000 0.280 421 E C -0.658 175.778 176.600 -0.273 0.000 1.016 421 E CA -0.292 55.853 56.400 -0.425 0.000 0.830 421 E CB 0.950 30.434 29.700 -0.361 0.000 1.081 421 E HN 0.373 nan 8.360 nan 0.000 0.395 422 L N 1.971 123.029 121.223 -0.275 0.000 2.391 422 L HA 0.496 4.838 4.340 0.002 0.000 0.266 422 L C 0.444 177.226 176.870 -0.147 0.000 1.035 422 L CA -1.318 53.427 54.840 -0.159 0.000 0.877 422 L CB 0.755 42.752 42.059 -0.103 0.000 1.504 422 L HN 0.531 nan 8.230 nan 0.000 0.503 423 M N 0.206 119.749 119.600 -0.095 0.000 2.242 423 M HA 0.353 4.835 4.480 0.002 0.000 0.344 423 M C -0.093 176.170 176.300 -0.062 0.000 1.140 423 M CA -0.037 55.218 55.300 -0.074 0.000 1.160 423 M CB 0.599 33.168 32.600 -0.051 0.000 1.491 423 M HN 0.434 nan 8.290 nan 0.000 0.459 424 L N 2.397 123.589 121.223 -0.051 0.000 3.548 424 L HA -0.235 4.106 4.340 0.002 0.000 0.443 424 L C 0.929 177.785 176.870 -0.023 0.000 1.286 424 L CA 0.687 55.508 54.840 -0.031 0.000 0.863 424 L CB -2.591 39.458 42.059 -0.017 0.000 1.734 424 L HN 1.356 nan 8.230 nan 0.000 0.873 425 G N -1.624 107.148 108.800 -0.046 0.000 2.184 425 G HA2 -0.224 3.737 3.960 0.002 0.000 0.264 425 G HA3 -0.224 3.737 3.960 0.002 0.000 0.264 425 G C 0.676 175.580 174.900 0.007 0.000 0.975 425 G CA 0.343 45.436 45.100 -0.012 0.000 0.642 425 G HN 1.146 nan 8.290 nan 0.000 0.536 426 G N -1.049 107.720 108.800 -0.052 0.000 2.634 426 G HA2 0.569 4.530 3.960 0.002 0.000 0.255 426 G HA3 0.569 4.530 3.960 0.002 0.000 0.255 426 G C -0.418 174.376 174.900 -0.176 0.000 1.205 426 G CA 0.054 45.152 45.100 -0.003 0.000 0.884 426 G HN 0.597 nan 8.290 nan 0.000 0.549 427 H N -1.199 117.845 119.070 -0.045 0.000 2.985 427 H HA 0.480 5.037 4.556 0.001 0.000 0.360 427 H C -0.370 174.943 175.328 -0.024 0.000 1.221 427 H CA -0.754 55.222 56.048 -0.119 0.000 1.121 427 H CB 2.099 31.770 29.762 -0.151 0.000 1.854 427 H HN 0.536 nan 8.280 nan 0.000 0.551 428 N N 1.180 119.929 118.700 0.081 0.000 2.310 428 N HA 0.278 5.019 4.740 0.002 0.000 0.292 428 N C -1.355 174.294 175.510 0.231 0.000 1.049 428 N CA -0.561 52.562 53.050 0.123 0.000 0.849 428 N CB 2.012 40.529 38.487 0.050 0.000 1.532 428 N HN 0.522 nan 8.380 nan 0.000 0.479 429 R N 4.923 125.571 120.500 0.246 0.000 2.337 429 R HA 0.486 4.828 4.340 0.002 0.000 0.319 429 R C -0.904 175.506 176.300 0.184 0.000 0.954 429 R CA -0.424 55.836 56.100 0.267 0.000 0.840 429 R CB 0.666 31.093 30.300 0.210 0.000 1.164 429 R HN 0.543 nan 8.270 nan 0.000 0.472 430 I N 3.237 123.940 120.570 0.221 0.000 2.406 430 I HA 0.260 4.431 4.170 0.002 0.000 0.290 430 I C -0.348 175.914 176.117 0.242 0.000 0.999 430 I CA -0.667 60.758 61.300 0.209 0.000 1.124 430 I CB 2.159 40.281 38.000 0.204 0.000 1.289 430 I HN 0.600 nan 8.210 nan 0.000 0.441 431 S N 7.008 122.799 115.700 0.152 0.000 2.561 431 S HA 0.686 5.157 4.470 0.002 0.000 0.303 431 S C -0.824 173.839 174.600 0.104 0.000 1.110 431 S CA -0.726 57.535 58.200 0.102 0.000 1.034 431 S CB 1.424 64.638 63.200 0.023 0.000 1.010 431 S HN 0.466 nan 8.310 nan 0.000 0.482 432 I N 4.441 125.076 120.570 0.108 0.000 2.339 432 I HA 0.332 4.503 4.170 0.002 0.000 0.290 432 I C 0.189 176.340 176.117 0.058 0.000 0.994 432 I CA -0.492 60.869 61.300 0.103 0.000 1.191 432 I CB 1.083 39.173 38.000 0.150 0.000 1.343 432 I HN 0.723 nan 8.210 nan 0.000 0.458 433 H N 7.273 126.327 119.070 -0.027 0.000 2.481 433 H HA 0.393 4.951 4.556 0.002 0.000 0.333 433 H C -1.404 173.929 175.328 0.008 0.000 1.066 433 H CA -0.549 55.474 56.048 -0.042 0.000 1.209 433 H CB 1.630 31.369 29.762 -0.039 0.000 1.445 433 H HN 0.511 nan 8.280 nan 0.000 0.488 434 N N 4.364 122.860 118.700 -0.341 0.000 2.410 434 N HA 0.211 4.952 4.740 0.002 0.000 0.287 434 N C -1.875 173.509 175.510 -0.209 0.000 1.044 434 N CA -0.349 52.593 53.050 -0.180 0.000 0.881 434 N CB 2.245 40.687 38.487 -0.076 0.000 1.405 434 N HN 0.373 nan 8.380 nan 0.000 0.490 435 V N 4.377 124.219 119.914 -0.120 0.000 2.577 435 V HA 0.849 4.970 4.120 0.002 0.000 0.303 435 V C -0.643 175.427 176.094 -0.040 0.000 1.042 435 V CA -0.269 61.981 62.300 -0.085 0.000 0.872 435 V CB 0.631 32.432 31.823 -0.038 0.000 0.998 435 V HN 0.954 nan 8.190 nan 0.000 0.423 436 C N 3.261 122.530 119.300 -0.051 0.000 3.176 436 C HA 0.562 5.023 4.460 0.002 0.000 0.343 436 C C -0.930 174.032 174.990 -0.047 0.000 1.332 436 C CA -0.830 58.170 59.018 -0.030 0.000 1.200 436 C CB 1.231 28.966 27.740 -0.009 0.000 1.440 436 C HN 0.902 nan 8.230 nan 0.000 0.458 437 E N 1.456 121.638 120.200 -0.030 0.000 2.129 437 E HA 0.163 4.514 4.350 0.002 0.000 0.283 437 E C 0.064 176.649 176.600 -0.026 0.000 1.080 437 E CA -0.217 56.161 56.400 -0.038 0.000 0.867 437 E CB 0.983 30.668 29.700 -0.026 0.000 1.056 437 E HN 0.545 nan 8.360 nan 0.000 0.404 438 D N 2.210 122.591 120.400 -0.033 0.000 2.321 438 D HA -0.235 4.406 4.640 0.002 0.000 0.194 438 D C 1.534 177.833 176.300 -0.001 0.000 1.013 438 D CA 1.833 55.825 54.000 -0.014 0.000 0.863 438 D CB -0.189 40.603 40.800 -0.013 0.000 1.011 438 D HN 0.300 nan 8.370 nan 0.000 0.457 439 S N -0.549 115.147 115.700 -0.008 0.000 2.428 439 S HA -0.199 4.272 4.470 0.002 0.000 0.240 439 S C 1.670 176.268 174.600 -0.003 0.000 1.036 439 S CA 0.443 58.638 58.200 -0.008 0.000 1.009 439 S CB -0.264 62.922 63.200 -0.022 0.000 0.803 439 S HN 0.182 nan 8.310 nan 0.000 0.486 440 L N 0.285 121.506 121.223 -0.003 0.000 2.551 440 L HA 0.186 4.527 4.340 0.002 0.000 0.228 440 L C 1.585 178.474 176.870 0.032 0.000 1.153 440 L CA 1.168 56.011 54.840 0.005 0.000 0.851 440 L CB -0.433 41.629 42.059 0.004 0.000 0.959 440 L HN 0.328 nan 8.230 nan 0.000 0.451 441 L N -2.699 118.545 121.223 0.035 0.000 2.526 441 L HA 0.173 4.514 4.340 0.002 0.000 0.210 441 L C 2.350 179.256 176.870 0.060 0.000 1.048 441 L CA 0.704 55.577 54.840 0.055 0.000 0.852 441 L CB -0.337 41.751 42.059 0.049 0.000 1.128 441 L HN 0.107 nan 8.230 nan 0.000 0.482 442 A N -0.242 122.605 122.820 0.044 0.000 1.969 442 A HA -0.158 4.163 4.320 0.002 0.000 0.218 442 A C 2.242 179.846 177.584 0.034 0.000 1.169 442 A CA 2.230 54.294 52.037 0.045 0.000 0.635 442 A CB -0.713 18.306 19.000 0.032 0.000 0.810 442 A HN 0.337 nan 8.150 nan 0.000 0.445 443 T N 0.510 115.079 114.554 0.025 0.000 2.668 443 T HA -0.067 4.284 4.350 0.002 0.000 0.262 443 T C -0.159 174.559 174.700 0.030 0.000 1.045 443 T CA 1.652 63.765 62.100 0.021 0.000 1.152 443 T CB -1.011 67.864 68.868 0.012 0.000 0.864 443 T HN 0.475 nan 8.240 nan 0.000 0.419 444 P HA -0.061 nan 4.420 nan 0.000 0.218 444 P C 1.796 179.090 177.300 -0.010 0.000 1.148 444 P CA 0.967 64.097 63.100 0.050 0.000 0.822 444 P CB -0.216 31.541 31.700 0.095 0.000 0.784 445 L N -1.097 120.137 121.223 0.018 0.000 2.201 445 L HA -0.065 4.276 4.340 0.002 0.000 0.212 445 L C 2.480 179.262 176.870 -0.146 0.000 1.105 445 L CA 1.185 56.015 54.840 -0.016 0.000 0.775 445 L CB -0.490 41.649 42.059 0.133 0.000 0.913 445 L HN -0.191 nan 8.230 nan 0.000 0.440 446 I N -0.421 120.110 120.570 -0.065 0.000 2.353 446 I HA -0.271 3.901 4.170 0.002 0.000 0.248 446 I C 2.301 178.379 176.117 -0.065 0.000 1.119 446 I CA 1.004 62.267 61.300 -0.061 0.000 1.417 446 I CB -0.064 37.930 38.000 -0.010 0.000 1.078 446 I HN 0.257 nan 8.210 nan 0.000 0.421 447 I N 0.656 121.197 120.570 -0.048 0.000 2.179 447 I HA -0.329 3.842 4.170 0.002 0.000 0.242 447 I C 2.144 178.179 176.117 -0.136 0.000 1.088 447 I CA 1.454 62.737 61.300 -0.028 0.000 1.357 447 I CB -0.508 37.401 38.000 -0.153 0.000 1.051 447 I HN 0.252 nan 8.210 nan 0.000 0.409 448 D N 0.958 121.168 120.400 -0.316 0.000 2.092 448 D HA -0.173 4.468 4.640 0.002 0.000 0.193 448 D C 2.351 178.221 176.300 -0.716 0.000 0.994 448 D CA 1.329 54.997 54.000 -0.553 0.000 0.828 448 D CB -0.382 39.931 40.800 -0.812 0.000 0.963 448 D HN 0.272 nan 8.370 nan 0.000 0.450 449 L N 0.565 121.332 121.223 -0.759 0.000 1.971 449 L HA -0.223 4.118 4.340 0.002 0.000 0.215 449 L C 2.756 179.492 176.870 -0.223 0.000 1.072 449 L CA 1.012 55.540 54.840 -0.519 0.000 0.758 449 L CB -0.557 41.350 42.059 -0.254 0.000 0.889 449 L HN 0.052 nan 8.230 nan 0.000 0.433 450 L N -1.023 120.133 121.223 -0.112 0.000 2.043 450 L HA -0.253 4.088 4.340 0.002 0.000 0.212 450 L C 2.467 179.373 176.870 0.061 0.000 1.075 450 L CA 1.097 55.924 54.840 -0.021 0.000 0.752 450 L CB -0.623 41.433 42.059 -0.005 0.000 0.891 450 L HN 0.120 nan 8.230 nan 0.000 0.432 451 V N -0.937 119.032 119.914 0.093 0.000 2.667 451 V HA -0.220 3.901 4.120 0.002 0.000 0.252 451 V C 2.342 178.488 176.094 0.086 0.000 1.065 451 V CA 1.248 63.617 62.300 0.115 0.000 1.083 451 V CB -0.213 31.624 31.823 0.023 0.000 0.692 451 V HN 0.383 nan 8.190 nan 0.000 0.468 452 M N -0.028 119.570 119.600 -0.002 0.000 2.394 452 M HA -0.006 4.475 4.480 0.002 0.000 0.266 452 M C 2.353 178.755 176.300 0.169 0.000 1.098 452 M CA 1.762 57.110 55.300 0.081 0.000 1.149 452 M CB -1.074 31.549 32.600 0.038 0.000 1.369 452 M HN 0.581 nan 8.290 nan 0.000 0.450 453 T N -1.778 112.851 114.554 0.125 0.000 3.113 453 T HA -0.036 4.316 4.350 0.002 0.000 0.256 453 T C 1.531 176.397 174.700 0.277 0.000 1.131 453 T CA 0.831 63.062 62.100 0.218 0.000 1.074 453 T CB 0.132 69.108 68.868 0.181 0.000 0.944 453 T HN 0.211 nan 8.240 nan 0.000 0.516 454 E N 0.389 120.715 120.200 0.210 0.000 2.075 454 E HA 0.016 4.367 4.350 0.002 0.000 0.190 454 E C 1.622 178.356 176.600 0.223 0.000 0.969 454 E CA 0.519 57.023 56.400 0.173 0.000 0.815 454 E CB -0.445 29.343 29.700 0.145 0.000 0.776 454 E HN 0.592 nan 8.360 nan 0.000 0.457 455 F N 1.271 121.292 119.950 0.117 0.000 2.102 455 F HA -0.233 4.295 4.527 0.002 0.000 0.298 455 F C 2.523 178.443 175.800 0.201 0.000 1.105 455 F CA 1.770 59.841 58.000 0.119 0.000 1.239 455 F CB -0.445 38.611 39.000 0.093 0.000 0.991 455 F HN 0.097 nan 8.300 nan 0.000 0.474 456 C N -0.317 119.279 119.300 0.493 0.000 2.413 456 C HA -0.226 4.235 4.460 0.002 0.000 0.276 456 C C 2.804 178.134 174.990 0.566 0.000 1.236 456 C CA 1.821 61.175 59.018 0.561 0.000 1.735 456 C CB -1.621 26.350 27.740 0.384 0.000 2.031 456 C HN 0.618 nan 8.230 nan 0.000 0.474 457 T N -0.611 114.170 114.554 0.380 0.000 2.969 457 T HA -0.137 4.214 4.350 0.002 0.000 0.271 457 T C 1.623 176.291 174.700 -0.054 0.000 1.127 457 T CA 1.259 63.303 62.100 -0.093 0.000 1.102 457 T CB -0.333 68.431 68.868 -0.173 0.000 0.855 457 T HN 0.584 nan 8.240 nan 0.000 0.536 458 R N -0.232 120.254 120.500 -0.023 0.000 2.432 458 R HA 0.291 4.632 4.340 0.002 0.000 0.260 458 R C -0.439 175.796 176.300 -0.109 0.000 0.935 458 R CA -0.156 55.885 56.100 -0.100 0.000 1.080 458 R CB 0.978 31.182 30.300 -0.161 0.000 1.155 458 R HN 0.208 nan 8.270 nan 0.000 0.531 459 V N 0.731 120.651 119.914 0.010 0.000 2.667 459 V HA 0.461 4.582 4.120 0.002 0.000 0.308 459 V C -0.177 176.003 176.094 0.143 0.000 1.048 459 V CA -0.572 61.765 62.300 0.062 0.000 0.928 459 V CB 1.987 33.915 31.823 0.175 0.000 1.004 459 V HN 0.238 nan 8.190 nan 0.000 0.444 460 S N 2.472 118.273 115.700 0.168 0.000 2.570 460 S HA 0.828 5.300 4.470 0.002 0.000 0.270 460 S C -1.232 173.593 174.600 0.375 0.000 1.149 460 S CA -0.876 57.423 58.200 0.164 0.000 0.837 460 S CB 1.743 64.993 63.200 0.083 0.000 1.124 460 S HN 0.839 nan 8.310 nan 0.000 0.465 461 Y N -0.657 119.771 120.300 0.212 0.000 2.790 461 Y HA 0.883 5.434 4.550 0.002 0.000 0.323 461 Y C -0.717 175.068 175.900 -0.192 0.000 1.230 461 Y CA -1.227 56.878 58.100 0.008 0.000 1.121 461 Y CB 1.212 39.413 38.460 -0.433 0.000 1.328 461 Y HN 0.894 nan 8.280 nan 0.000 0.514 462 K N 1.057 121.316 120.400 -0.235 0.000 2.535 462 K HA 0.350 4.671 4.320 0.002 0.000 0.251 462 K C -1.843 174.709 176.600 -0.081 0.000 0.942 462 K CA -0.791 55.211 56.287 -0.475 0.000 0.798 462 K CB 1.873 33.657 32.500 -1.193 0.000 1.267 462 K HN 0.788 nan 8.250 nan 0.000 0.434 463 K N 2.981 123.339 120.400 -0.071 0.000 2.284 463 K HA 0.209 4.530 4.320 0.002 0.000 0.287 463 K C -0.684 175.800 176.600 -0.194 0.000 1.081 463 K CA -0.479 55.717 56.287 -0.153 0.000 0.910 463 K CB 1.183 33.629 32.500 -0.089 0.000 1.088 463 K HN 0.261 nan 8.250 nan 0.000 0.478 464 V N 3.498 123.281 119.914 -0.218 0.000 2.406 464 V HA 0.030 4.151 4.120 0.002 0.000 0.272 464 V C 0.202 176.212 176.094 -0.140 0.000 1.043 464 V CA -0.695 61.515 62.300 -0.151 0.000 0.915 464 V CB 1.147 32.904 31.823 -0.109 0.000 0.988 464 V HN 0.686 nan 8.190 nan 0.000 0.466 465 D N 7.793 128.132 120.400 -0.103 0.000 2.316 465 D HA 0.212 4.854 4.640 0.002 0.000 0.245 465 D C -1.069 175.192 176.300 -0.065 0.000 1.171 465 D CA -1.891 52.059 54.000 -0.083 0.000 0.856 465 D CB 2.168 42.929 40.800 -0.065 0.000 1.090 465 D HN 0.304 nan 8.370 nan 0.000 0.476 466 P HA -0.130 nan 4.420 nan 0.000 0.223 466 P C 0.854 178.132 177.300 -0.036 0.000 1.144 466 P CA 0.760 63.831 63.100 -0.049 0.000 0.783 466 P CB 0.161 31.831 31.700 -0.051 0.000 0.771 467 V N -3.593 116.300 119.914 -0.035 0.000 2.778 467 V HA 0.522 4.643 4.120 0.002 0.000 0.356 467 V C 0.060 176.139 176.094 -0.025 0.000 1.283 467 V CA -0.568 61.716 62.300 -0.026 0.000 1.247 467 V CB -0.459 31.349 31.823 -0.024 0.000 1.408 467 V HN -0.020 nan 8.190 nan 0.000 0.620 468 K N 1.085 121.469 120.400 -0.027 0.000 2.675 468 K HA 0.164 4.485 4.320 0.002 0.000 0.274 468 K C -0.202 176.383 176.600 -0.025 0.000 1.444 468 K CA -0.178 56.094 56.287 -0.024 0.000 0.925 468 K CB 0.744 33.227 32.500 -0.027 0.000 1.401 468 K HN 0.645 nan 8.250 nan 0.000 0.504 469 E N 2.976 123.164 120.200 -0.019 0.000 2.829 469 E HA -0.213 4.138 4.350 0.002 0.000 0.264 469 E C -0.470 176.120 176.600 -0.017 0.000 0.922 469 E CA 1.230 57.621 56.400 -0.016 0.000 0.960 469 E CB 0.316 30.012 29.700 -0.007 0.000 0.918 469 E HN 0.595 nan 8.360 nan 0.000 0.497 470 D N 2.648 123.036 120.400 -0.020 0.000 3.082 470 D HA -0.223 4.418 4.640 0.002 0.000 0.234 470 D C -0.635 175.643 176.300 -0.036 0.000 1.159 470 D CA 0.728 54.715 54.000 -0.022 0.000 0.875 470 D CB -0.792 40.010 40.800 0.003 0.000 0.946 470 D HN 0.532 nan 8.370 nan 0.000 0.411 471 A N 1.639 124.423 122.820 -0.059 0.000 2.545 471 A HA 0.553 4.874 4.320 0.002 0.000 0.277 471 A C 0.887 178.415 177.584 -0.093 0.000 1.301 471 A CA 0.548 52.547 52.037 -0.063 0.000 0.935 471 A CB 0.671 19.636 19.000 -0.058 0.000 1.093 471 A HN 0.443 nan 8.150 nan 0.000 0.519 472 G N -0.148 108.572 108.800 -0.135 0.000 2.470 472 G HA2 0.489 4.450 3.960 0.002 0.000 0.320 472 G HA3 0.489 4.450 3.960 0.002 0.000 0.320 472 G C -0.727 174.025 174.900 -0.246 0.000 1.245 472 G CA -0.478 44.490 45.100 -0.221 0.000 0.935 472 G HN 0.001 nan 8.290 nan 0.000 0.476 473 K N 3.071 123.352 120.400 -0.198 0.000 2.292 473 K HA 0.317 4.638 4.320 0.002 0.000 0.270 473 K C -0.504 175.984 176.600 -0.186 0.000 1.062 473 K CA -1.376 54.846 56.287 -0.109 0.000 0.916 473 K CB -0.005 32.464 32.500 -0.052 0.000 1.166 473 K HN 0.272 nan 8.250 nan 0.000 0.458 474 F N 3.267 123.148 119.950 -0.115 0.000 2.580 474 F HA -0.068 4.460 4.527 0.002 0.000 0.398 474 F C 1.399 177.036 175.800 -0.272 0.000 1.023 474 F CA 0.986 58.870 58.000 -0.193 0.000 1.188 474 F CB 0.374 39.297 39.000 -0.129 0.000 1.005 474 F HN 0.339 nan 8.300 nan 0.000 0.546 475 E N 2.544 122.483 120.200 -0.435 0.000 2.243 475 E HA 0.363 4.714 4.350 0.002 0.000 0.260 475 E C -0.723 175.589 176.600 -0.481 0.000 0.985 475 E CA -1.097 54.999 56.400 -0.506 0.000 0.858 475 E CB 1.261 30.579 29.700 -0.638 0.000 1.210 475 E HN 0.527 nan 8.360 nan 0.000 0.411 476 N N 0.121 118.760 118.700 -0.102 0.000 2.405 476 N HA 0.266 5.007 4.740 0.002 0.000 0.299 476 N C -0.669 175.116 175.510 0.458 0.000 1.075 476 N CA -0.629 52.524 53.050 0.171 0.000 0.884 476 N CB 0.754 39.346 38.487 0.175 0.000 1.194 476 N HN 0.170 nan 8.380 nan 0.000 0.491 477 F N 2.183 122.458 119.950 0.541 0.000 2.568 477 F HA -0.177 4.352 4.527 0.002 0.000 0.394 477 F C 0.676 176.650 175.800 0.290 0.000 1.032 477 F CA 0.320 58.568 58.000 0.414 0.000 1.242 477 F CB -0.169 38.986 39.000 0.258 0.000 0.966 477 F HN 0.413 nan 8.300 nan 0.000 0.560 478 Y N 8.250 128.776 120.300 0.376 0.000 2.802 478 Y HA 0.009 4.560 4.550 0.002 0.000 0.333 478 Y C -1.291 174.682 175.900 0.122 0.000 1.244 478 Y CA -2.177 56.042 58.100 0.198 0.000 1.558 478 Y CB 0.111 38.613 38.460 0.069 0.000 1.233 478 Y HN 0.455 nan 8.280 nan 0.000 0.547 479 P HA -0.344 nan 4.420 nan 0.000 0.227 479 P C 0.494 177.479 177.300 -0.524 0.000 1.141 479 P CA 2.546 65.356 63.100 -0.484 0.000 0.964 479 P CB -0.543 30.834 31.700 -0.538 0.000 0.784 480 V N -1.033 118.480 119.914 -0.668 0.000 2.302 480 V HA 0.121 4.243 4.120 0.002 0.000 0.244 480 V C 0.459 176.402 176.094 -0.251 0.000 1.160 480 V CA -0.339 61.763 62.300 -0.330 0.000 1.127 480 V CB -1.501 30.242 31.823 -0.133 0.000 1.253 480 V HN -0.077 nan 8.190 nan 0.000 0.496 481 L N 6.020 127.008 121.223 -0.392 0.000 2.827 481 L HA 0.014 4.355 4.340 0.002 0.000 0.280 481 L C 1.892 178.651 176.870 -0.184 0.000 1.122 481 L CA 0.771 55.370 54.840 -0.402 0.000 1.044 481 L CB -0.053 41.667 42.059 -0.565 0.000 1.402 481 L HN 0.932 nan 8.230 nan 0.000 0.467 482 T N -2.100 112.362 114.554 -0.153 0.000 3.148 482 T HA -0.069 4.282 4.350 0.002 0.000 0.253 482 T C 1.372 175.983 174.700 -0.148 0.000 1.134 482 T CA 0.216 62.237 62.100 -0.130 0.000 1.051 482 T CB -0.203 68.567 68.868 -0.164 0.000 0.959 482 T HN 0.377 nan 8.240 nan 0.000 0.525 483 F N 1.045 120.856 119.950 -0.230 0.000 2.365 483 F HA 0.116 4.644 4.527 0.002 0.000 0.300 483 F C 1.661 177.444 175.800 -0.027 0.000 1.090 483 F CA 0.392 58.274 58.000 -0.196 0.000 1.408 483 F CB -0.042 38.747 39.000 -0.353 0.000 1.060 483 F HN 0.168 nan 8.300 nan 0.000 0.534 484 L N -1.413 119.958 121.223 0.245 0.000 2.418 484 L HA -0.023 4.318 4.340 0.002 0.000 0.218 484 L C 2.256 179.317 176.870 0.320 0.000 1.125 484 L CA 0.767 55.905 54.840 0.497 0.000 0.835 484 L CB -1.834 40.485 42.059 0.433 0.000 0.953 484 L HN -0.023 nan 8.230 nan 0.000 0.454 485 S N 0.119 115.882 115.700 0.104 0.000 2.408 485 S HA -0.350 4.121 4.470 0.002 0.000 0.241 485 S C 1.894 176.479 174.600 -0.026 0.000 1.080 485 S CA 2.048 60.272 58.200 0.039 0.000 1.109 485 S CB -0.769 62.416 63.200 -0.025 0.000 0.966 485 S HN 0.555 nan 8.310 nan 0.000 0.449 486 Y N 0.536 120.610 120.300 -0.377 0.000 2.264 486 Y HA -0.230 4.320 4.550 0.001 0.000 0.282 486 Y C 1.630 177.214 175.900 -0.527 0.000 1.204 486 Y CA 1.713 59.459 58.100 -0.591 0.000 1.228 486 Y CB -0.238 37.595 38.460 -1.046 0.000 0.971 486 Y HN 0.430 nan 8.280 nan 0.000 0.538 487 W N -0.966 120.458 121.300 0.208 0.000 3.220 487 W HA 0.260 4.921 4.660 0.002 0.000 0.328 487 W C -0.497 176.060 176.519 0.064 0.000 1.205 487 W CA -0.253 57.172 57.345 0.133 0.000 1.773 487 W CB 0.163 29.715 29.460 0.153 0.000 1.086 487 W HN -0.141 nan 8.180 nan 0.000 0.622 488 L N 0.263 121.613 121.223 0.211 0.000 2.303 488 L HA 0.370 4.711 4.340 0.002 0.000 0.266 488 L C 1.304 178.221 176.870 0.079 0.000 1.011 488 L CA -0.614 54.317 54.840 0.152 0.000 0.818 488 L CB 1.383 43.537 42.059 0.159 0.000 1.326 488 L HN -0.194 nan 8.230 nan 0.000 0.435 489 K N 1.091 121.538 120.400 0.078 0.000 2.099 489 K HA 0.206 4.528 4.320 0.002 0.000 0.203 489 K C 0.364 177.000 176.600 0.059 0.000 1.047 489 K CA 0.816 57.136 56.287 0.055 0.000 0.963 489 K CB 0.386 32.924 32.500 0.063 0.000 0.759 489 K HN 0.659 nan 8.250 nan 0.000 0.451 490 A N 2.937 125.806 122.820 0.080 0.000 2.690 490 A HA 0.378 4.700 4.320 0.002 0.000 0.342 490 A C -2.577 175.058 177.584 0.085 0.000 1.410 490 A CA -1.631 50.456 52.037 0.083 0.000 0.958 490 A CB 0.577 19.639 19.000 0.104 0.000 1.153 490 A HN 0.109 nan 8.150 nan 0.000 0.497 491 P HA 0.027 nan 4.420 nan 0.000 0.263 491 P C 0.420 177.756 177.300 0.060 0.000 1.276 491 P CA 0.058 63.194 63.100 0.059 0.000 0.986 491 P CB 0.158 31.877 31.700 0.032 0.000 1.105 492 L N 3.100 124.368 121.223 0.075 0.000 2.517 492 L HA 0.082 4.423 4.340 0.002 0.000 0.294 492 L C 0.373 177.269 176.870 0.043 0.000 1.264 492 L CA 1.178 56.059 54.840 0.068 0.000 0.839 492 L CB 0.401 42.494 42.059 0.057 0.000 1.098 492 L HN 0.296 nan 8.230 nan 0.000 0.525 493 T N 2.886 117.474 114.554 0.057 0.000 2.853 493 T HA 0.251 4.602 4.350 0.002 0.000 0.311 493 T C -0.785 173.975 174.700 0.100 0.000 1.307 493 T CA -0.752 61.387 62.100 0.066 0.000 1.019 493 T CB 1.323 70.242 68.868 0.084 0.000 1.264 493 T HN 0.767 nan 8.240 nan 0.000 0.497 494 R N 2.444 122.980 120.500 0.060 0.000 2.640 494 R HA 0.112 4.453 4.340 0.002 0.000 0.270 494 R C -1.604 174.787 176.300 0.151 0.000 1.024 494 R CA -0.625 55.473 56.100 -0.005 0.000 1.085 494 R CB 0.269 30.292 30.300 -0.462 0.000 0.963 494 R HN 0.378 nan 8.270 nan 0.000 0.426 495 P HA -0.239 nan 4.420 nan 0.000 0.226 495 P C 0.521 177.916 177.300 0.159 0.000 1.154 495 P CA 2.248 65.430 63.100 0.138 0.000 0.901 495 P CB 0.110 31.873 31.700 0.105 0.000 0.788 496 G N -4.228 104.714 108.800 0.237 0.000 3.159 496 G HA2 0.196 4.158 3.960 0.002 0.000 0.232 496 G HA3 0.196 4.158 3.960 0.002 0.000 0.232 496 G C -0.144 174.740 174.900 -0.027 0.000 1.116 496 G CA -0.129 45.006 45.100 0.060 0.000 0.767 496 G HN 0.090 nan 8.290 nan 0.000 0.547 497 F N 0.575 120.578 119.950 0.088 0.000 2.425 497 F HA 0.515 5.043 4.527 0.002 0.000 0.331 497 F C 0.109 176.055 175.800 0.244 0.000 1.085 497 F CA -1.524 56.564 58.000 0.147 0.000 1.028 497 F CB 1.125 40.148 39.000 0.039 0.000 1.177 497 F HN -0.044 nan 8.300 nan 0.000 0.487 498 H N 2.590 121.741 119.070 0.135 0.000 2.668 498 H HA 0.266 4.823 4.556 0.002 0.000 0.303 498 H C -1.900 173.485 175.328 0.094 0.000 1.074 498 H CA -2.384 53.714 56.048 0.084 0.000 1.406 498 H CB -0.075 29.711 29.762 0.040 0.000 1.442 498 H HN 0.301 nan 8.280 nan 0.000 0.482 499 P HA -0.049 nan 4.420 nan 0.000 0.269 499 P C -0.410 176.936 177.300 0.077 0.000 1.205 499 P CA -0.067 63.088 63.100 0.092 0.000 0.780 499 P CB 1.047 32.782 31.700 0.059 0.000 0.858 500 V N 2.668 122.603 119.914 0.035 0.000 2.487 500 V HA 0.289 4.410 4.120 0.002 0.000 0.298 500 V C 0.324 176.413 176.094 -0.009 0.000 1.028 500 V CA -0.432 61.876 62.300 0.014 0.000 0.860 500 V CB 1.286 33.105 31.823 -0.007 0.000 0.991 500 V HN 0.646 nan 8.190 nan 0.000 0.427 501 N N 2.567 121.262 118.700 -0.007 0.000 3.100 501 N HA 0.784 5.525 4.740 0.002 0.000 0.344 501 N C 0.094 175.585 175.510 -0.032 0.000 1.413 501 N CA -0.399 52.635 53.050 -0.027 0.000 0.752 501 N CB 1.801 40.279 38.487 -0.015 0.000 1.519 501 N HN 0.969 nan 8.380 nan 0.000 0.620 502 G N 0.787 109.558 108.800 -0.048 0.000 3.026 502 G HA2 -0.159 3.802 3.960 0.002 0.000 0.252 502 G HA3 -0.159 3.802 3.960 0.002 0.000 0.252 502 G C 0.383 175.251 174.900 -0.053 0.000 1.070 502 G CA -0.247 44.831 45.100 -0.037 0.000 1.183 502 G HN 0.453 nan 8.290 nan 0.000 0.571 503 L N 0.891 122.039 121.223 -0.124 0.000 2.143 503 L HA -0.320 4.021 4.340 0.002 0.000 0.231 503 L C 2.597 179.486 176.870 0.031 0.000 1.106 503 L CA 3.520 58.240 54.840 -0.200 0.000 0.827 503 L CB -0.385 41.487 42.059 -0.312 0.000 0.915 503 L HN 0.626 nan 8.230 nan 0.000 0.448 504 N N -0.783 117.937 118.700 0.032 0.000 2.104 504 N HA -0.178 4.563 4.740 0.002 0.000 0.190 504 N C 1.705 177.254 175.510 0.065 0.000 1.024 504 N CA 1.693 54.785 53.050 0.071 0.000 0.853 504 N CB -0.190 38.326 38.487 0.049 0.000 1.008 504 N HN 0.430 nan 8.380 nan 0.000 0.424 505 K N 0.606 121.028 120.400 0.037 0.000 2.025 505 K HA -0.084 4.237 4.320 0.002 0.000 0.207 505 K C 1.978 178.593 176.600 0.025 0.000 1.049 505 K CA 1.109 57.411 56.287 0.025 0.000 0.933 505 K CB -0.179 32.325 32.500 0.007 0.000 0.714 505 K HN 0.324 nan 8.250 nan 0.000 0.438 506 Q N 0.233 120.048 119.800 0.025 0.000 2.197 506 Q HA -0.186 4.155 4.340 0.002 0.000 0.207 506 Q C 2.230 178.254 176.000 0.039 0.000 0.984 506 Q CA 1.255 57.069 55.803 0.018 0.000 0.869 506 Q CB -0.086 28.664 28.738 0.021 0.000 0.906 506 Q HN 0.229 nan 8.270 nan 0.000 0.426 507 R N 0.199 120.760 120.500 0.102 0.000 2.062 507 R HA -0.096 4.245 4.340 0.002 0.000 0.226 507 R C 2.545 178.870 176.300 0.041 0.000 1.125 507 R CA 1.786 57.867 56.100 -0.031 0.000 0.966 507 R CB -0.255 30.035 30.300 -0.017 0.000 0.861 507 R HN 0.417 nan 8.270 nan 0.000 0.433 508 T N -0.632 113.960 114.554 0.063 0.000 2.665 508 T HA -0.162 4.189 4.350 0.002 0.000 0.268 508 T C 2.055 176.810 174.700 0.092 0.000 1.035 508 T CA 1.378 63.521 62.100 0.072 0.000 1.151 508 T CB -0.589 68.314 68.868 0.059 0.000 0.862 508 T HN 0.284 nan 8.240 nan 0.000 0.438 509 A N 1.993 124.857 122.820 0.073 0.000 1.896 509 A HA -0.083 4.238 4.320 0.002 0.000 0.220 509 A C 2.507 180.257 177.584 0.276 0.000 1.206 509 A CA 2.078 54.169 52.037 0.090 0.000 0.647 509 A CB -1.210 17.750 19.000 -0.066 0.000 0.828 509 A HN 0.559 nan 8.150 nan 0.000 0.455 510 L N -1.084 120.303 121.223 0.273 0.000 2.046 510 L HA -0.211 4.130 4.340 0.002 0.000 0.208 510 L C 2.684 179.666 176.870 0.188 0.000 1.077 510 L CA 1.785 56.835 54.840 0.350 0.000 0.747 510 L CB -0.545 41.688 42.059 0.291 0.000 0.896 510 L HN 0.502 nan 8.230 nan 0.000 0.432 511 E N -0.012 120.262 120.200 0.123 0.000 2.058 511 E HA -0.236 4.115 4.350 0.002 0.000 0.194 511 E C 1.882 178.477 176.600 -0.008 0.000 0.997 511 E CA 1.631 58.037 56.400 0.010 0.000 0.801 511 E CB -0.238 29.492 29.700 0.050 0.000 0.746 511 E HN 0.562 nan 8.360 nan 0.000 0.450 512 N N 0.009 118.751 118.700 0.070 0.000 2.188 512 N HA -0.134 4.607 4.740 0.002 0.000 0.184 512 N C 1.716 177.257 175.510 0.053 0.000 1.018 512 N CA 0.556 53.643 53.050 0.062 0.000 0.858 512 N CB -0.175 38.376 38.487 0.107 0.000 0.989 512 N HN 0.092 nan 8.380 nan 0.000 0.426 513 F N 1.825 121.749 119.950 -0.043 0.000 2.095 513 F HA -0.181 4.347 4.527 0.002 0.000 0.298 513 F C 1.854 177.517 175.800 -0.229 0.000 1.104 513 F CA 1.085 59.001 58.000 -0.140 0.000 1.232 513 F CB 0.010 38.951 39.000 -0.098 0.000 0.987 513 F HN -0.018 nan 8.300 nan 0.000 0.475 514 L N -0.065 120.970 121.223 -0.314 0.000 2.141 514 L HA -0.156 4.185 4.340 0.002 0.000 0.209 514 L C 2.607 179.290 176.870 -0.311 0.000 1.094 514 L CA 0.948 55.521 54.840 -0.445 0.000 0.763 514 L CB -0.678 41.098 42.059 -0.472 0.000 0.908 514 L HN 0.101 nan 8.230 nan 0.000 0.437 515 R N 0.300 120.676 120.500 -0.206 0.000 2.070 515 R HA -0.188 4.153 4.340 0.002 0.000 0.233 515 R C 2.346 178.570 176.300 -0.127 0.000 1.137 515 R CA 1.562 57.583 56.100 -0.133 0.000 0.945 515 R CB -0.732 29.528 30.300 -0.067 0.000 0.845 515 R HN 0.341 nan 8.270 nan 0.000 0.430 516 L N 1.341 122.464 121.223 -0.166 0.000 2.043 516 L HA -0.214 4.128 4.340 0.002 0.000 0.212 516 L C 2.082 178.853 176.870 -0.165 0.000 1.075 516 L CA 1.611 56.344 54.840 -0.178 0.000 0.752 516 L CB -0.302 41.493 42.059 -0.440 0.000 0.891 516 L HN 0.211 nan 8.230 nan 0.000 0.432 517 L N 0.311 121.344 121.223 -0.317 0.000 2.191 517 L HA -0.159 4.182 4.340 0.002 0.000 0.212 517 L C 2.215 179.011 176.870 -0.123 0.000 1.103 517 L CA 1.225 55.908 54.840 -0.263 0.000 0.769 517 L CB -0.362 41.450 42.059 -0.412 0.000 0.908 517 L HN 0.504 nan 8.230 nan 0.000 0.438 518 I N -3.712 116.794 120.570 -0.107 0.000 3.891 518 I HA 0.423 4.594 4.170 0.002 0.000 0.331 518 I C 1.130 177.231 176.117 -0.028 0.000 1.406 518 I CA 0.296 61.562 61.300 -0.056 0.000 1.139 518 I CB -0.148 37.825 38.000 -0.045 0.000 1.056 518 I HN 0.160 nan 8.210 nan 0.000 0.399 519 G N 1.925 110.722 108.800 -0.006 0.000 2.143 519 G HA2 -0.229 3.733 3.960 0.002 0.000 0.248 519 G HA3 -0.229 3.733 3.960 0.002 0.000 0.248 519 G C -0.068 174.863 174.900 0.051 0.000 0.991 519 G CA 0.183 45.308 45.100 0.042 0.000 0.689 519 G HN 0.439 nan 8.290 nan 0.000 0.522 520 L N 1.464 122.703 121.223 0.028 0.000 2.334 520 L HA 0.522 4.863 4.340 0.002 0.000 0.275 520 L C -1.192 175.720 176.870 0.069 0.000 1.036 520 L CA -2.293 52.566 54.840 0.031 0.000 0.807 520 L CB 1.494 43.549 42.059 -0.007 0.000 1.231 520 L HN -0.018 nan 8.230 nan 0.000 0.438 521 P HA 0.017 nan 4.420 nan 0.000 0.274 521 P C -0.506 176.850 177.300 0.094 0.000 1.256 521 P CA -0.448 62.722 63.100 0.117 0.000 0.795 521 P CB 0.955 32.706 31.700 0.084 0.000 1.038 522 S N 0.879 116.656 115.700 0.128 0.000 2.525 522 S HA -0.001 4.470 4.470 0.002 0.000 0.285 522 S C 0.501 175.128 174.600 0.045 0.000 1.283 522 S CA -0.346 57.913 58.200 0.099 0.000 1.072 522 S CB -0.558 62.722 63.200 0.135 0.000 0.867 522 S HN 0.239 nan 8.310 nan 0.000 0.492 523 Q N 2.901 122.714 119.800 0.022 0.000 2.304 523 Q HA -0.024 4.317 4.340 0.002 0.000 0.301 523 Q C 0.724 176.716 176.000 -0.014 0.000 1.063 523 Q CA 0.608 56.405 55.803 -0.009 0.000 0.947 523 Q CB 0.340 29.070 28.738 -0.014 0.000 1.201 523 Q HN 0.968 nan 8.270 nan 0.000 0.389 524 N N 0.096 118.769 118.700 -0.044 0.000 2.211 524 N HA -0.043 4.698 4.740 0.002 0.000 0.216 524 N C -0.412 175.039 175.510 -0.098 0.000 1.240 524 N CA 0.007 53.016 53.050 -0.067 0.000 0.895 524 N CB 0.565 38.997 38.487 -0.091 0.000 1.102 524 N HN 0.347 nan 8.380 nan 0.000 0.498 525 E N -0.130 120.013 120.200 -0.096 0.000 2.971 525 E HA -0.211 4.141 4.350 0.002 0.000 0.271 525 E C 0.563 177.074 176.600 -0.148 0.000 1.053 525 E CA 0.662 57.005 56.400 -0.094 0.000 0.817 525 E CB -1.898 27.771 29.700 -0.051 0.000 1.410 525 E HN 0.569 nan 8.360 nan 0.000 0.445 526 L N -0.468 120.593 121.223 -0.269 0.000 2.313 526 L HA 0.030 4.371 4.340 0.002 0.000 0.214 526 L C 0.989 177.627 176.870 -0.387 0.000 1.119 526 L CA 0.532 55.091 54.840 -0.469 0.000 0.809 526 L CB -0.209 41.266 42.059 -0.974 0.000 0.933 526 L HN 0.059 nan 8.230 nan 0.000 0.449 527 R N -0.523 119.836 120.500 -0.236 0.000 3.038 527 R HA -0.239 4.103 4.340 0.002 0.000 0.242 527 R C 0.402 176.733 176.300 0.052 0.000 0.866 527 R CA 0.033 56.089 56.100 -0.074 0.000 0.601 527 R CB -1.722 28.563 30.300 -0.025 0.000 1.107 527 R HN 0.112 nan 8.270 nan 0.000 0.492 528 F N 1.236 121.189 119.950 0.005 0.000 2.546 528 F HA -0.098 4.430 4.527 0.002 0.000 0.298 528 F C 2.116 177.919 175.800 0.005 0.000 1.120 528 F CA 1.226 59.229 58.000 0.005 0.000 1.456 528 F CB -0.060 38.943 39.000 0.005 0.000 1.088 528 F HN 0.298 nan 8.300 nan 0.000 0.572 529 E N 0.559 120.871 120.200 0.187 0.000 2.335 529 E HA -0.099 4.252 4.350 0.002 0.000 0.191 529 E C 0.881 177.530 176.600 0.081 0.000 1.150 529 E CA 0.431 56.895 56.400 0.106 0.000 1.001 529 E CB -0.308 29.435 29.700 0.072 0.000 1.127 529 E HN 0.668 nan 8.360 nan 0.000 0.462 530 E N 0.233 120.493 120.200 0.100 0.000 2.330 530 E HA 0.069 4.420 4.350 0.002 0.000 0.204 530 E C 1.425 178.073 176.600 0.080 0.000 1.024 530 E CA -0.195 56.248 56.400 0.071 0.000 1.545 530 E CB 0.004 29.739 29.700 0.058 0.000 3.224 530 E HN 0.059 nan 8.360 nan 0.000 1.075 531 R N 1.046 121.624 120.500 0.129 0.000 2.339 531 R HA 0.079 4.420 4.340 0.002 0.000 0.199 531 R C -0.029 176.320 176.300 0.082 0.000 1.018 531 R CA 0.924 57.103 56.100 0.133 0.000 1.036 531 R CB 0.171 30.610 30.300 0.231 0.000 0.899 531 R HN 0.115 nan 8.270 nan 0.000 0.473 532 L N -2.243 119.009 121.223 0.048 0.000 2.691 532 L HA 0.270 4.611 4.340 0.002 0.000 0.239 532 L C -1.161 175.694 176.870 -0.024 0.000 1.062 532 L CA -0.158 54.671 54.840 -0.019 0.000 1.002 532 L CB -1.047 40.950 42.059 -0.104 0.000 1.232 532 L HN -0.102 nan 8.230 nan 0.000 0.542 533 L N 0.000 121.221 121.223 -0.004 0.000 2.949 533 L HA 0.000 4.341 4.340 0.002 0.000 0.249 533 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 533 L CB 0.000 42.065 42.059 0.009 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502