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 1mx9_1_D DATA FIRST_RESID 4021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAKK 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 4021 S HA 0.000 nan 4.470 nan 0.000 0.327 4021 S C 0.000 174.667 174.600 0.112 0.000 1.055 4021 S CA 0.000 58.224 58.200 0.040 0.000 1.107 4021 S CB 0.000 63.222 63.200 0.037 0.000 0.593 4022 S N 4.398 120.159 115.700 0.102 0.000 3.074 4022 S HA 0.246 4.715 4.470 -0.001 0.000 0.359 4022 S C -2.197 172.528 174.600 0.207 0.000 1.207 4022 S CA -0.147 58.127 58.200 0.124 0.000 1.061 4022 S CB -0.297 62.964 63.200 0.101 0.000 0.769 4022 S HN 0.407 nan 8.310 nan 0.000 0.512 4023 P HA 0.162 nan 4.420 nan 0.000 0.266 4023 P C -2.349 174.964 177.300 0.022 0.000 1.193 4023 P CA -0.978 62.160 63.100 0.063 0.000 0.770 4023 P CB -0.101 31.588 31.700 -0.018 0.000 0.836 4024 P HA 0.092 nan 4.420 nan 0.000 0.275 4024 P C -1.068 176.273 177.300 0.068 0.000 1.228 4024 P CA 0.133 63.183 63.100 -0.083 0.000 0.786 4024 P CB 0.725 32.211 31.700 -0.356 0.000 0.927 4025 V N 3.690 123.696 119.914 0.152 0.000 2.447 4025 V HA 0.207 4.326 4.120 -0.001 0.000 0.292 4025 V C 0.300 176.471 176.094 0.127 0.000 1.021 4025 V CA -0.645 61.764 62.300 0.182 0.000 0.850 4025 V CB 1.995 33.892 31.823 0.123 0.000 1.005 4025 V HN 0.298 nan 8.190 nan 0.000 0.426 4026 V N 3.105 123.088 119.914 0.115 0.000 2.732 4026 V HA 0.522 4.641 4.120 -0.001 0.000 0.310 4026 V C -0.312 175.698 176.094 -0.139 0.000 1.053 4026 V CA -0.695 61.489 62.300 -0.193 0.000 0.957 4026 V CB 2.218 33.563 31.823 -0.796 0.000 1.018 4026 V HN 0.766 nan 8.190 nan 0.000 0.452 4027 D N 1.960 122.229 120.400 -0.219 0.000 2.256 4027 D HA 0.512 5.152 4.640 -0.001 0.000 0.240 4027 D C -0.090 176.086 176.300 -0.207 0.000 1.062 4027 D CA 0.115 54.028 54.000 -0.146 0.000 0.832 4027 D CB 2.183 42.906 40.800 -0.128 0.000 1.135 4027 D HN 0.816 nan 8.370 nan 0.000 0.484 4028 T N -1.701 112.777 114.554 -0.127 0.000 2.910 4028 T HA 0.279 4.629 4.350 -0.001 0.000 0.287 4028 T C 1.485 176.045 174.700 -0.233 0.000 1.050 4028 T CA -0.660 61.352 62.100 -0.148 0.000 1.011 4028 T CB 1.032 69.961 68.868 0.101 0.000 1.195 4028 T HN -0.012 nan 8.240 nan 0.000 0.540 4029 V N 1.284 120.997 119.914 -0.334 0.000 2.324 4029 V HA -0.173 3.947 4.120 -0.001 0.000 0.250 4029 V C 2.386 178.292 176.094 -0.313 0.000 1.060 4029 V CA 1.914 63.997 62.300 -0.362 0.000 1.042 4029 V CB -1.108 30.406 31.823 -0.515 0.000 0.650 4029 V HN 0.869 nan 8.190 nan 0.000 0.450 4030 H N -0.368 118.515 119.070 -0.312 0.000 2.548 4030 H HA 0.467 5.022 4.556 -0.001 0.000 0.265 4030 H C 0.953 175.526 175.328 -1.258 0.000 0.969 4030 H CA 0.770 56.447 56.048 -0.618 0.000 1.155 4030 H CB 0.299 29.770 29.762 -0.485 0.000 1.394 4030 H HN 0.545 nan 8.280 nan 0.000 0.570 4031 G N -0.109 108.181 108.800 -0.850 0.000 2.362 4031 G HA2 0.018 3.977 3.960 -0.001 0.000 0.288 4031 G HA3 0.018 3.977 3.960 -0.001 0.000 0.288 4031 G C -1.379 173.441 174.900 -0.133 0.000 1.305 4031 G CA -1.107 43.507 45.100 -0.811 0.000 0.910 4031 G HN -0.005 nan 8.290 nan 0.000 0.518 4032 K N 0.238 120.745 120.400 0.178 0.000 2.234 4032 K HA 0.547 4.866 4.320 -0.001 0.000 0.282 4032 K C 0.160 177.076 176.600 0.527 0.000 1.039 4032 K CA -0.475 55.996 56.287 0.307 0.000 0.928 4032 K CB 2.029 34.654 32.500 0.207 0.000 1.039 4032 K HN 1.042 nan 8.250 nan 0.000 0.470 4033 V N 1.494 121.665 119.914 0.429 0.000 2.555 4033 V HA 0.494 4.614 4.120 -0.001 0.000 0.302 4033 V C -0.569 175.782 176.094 0.429 0.000 1.038 4033 V CA -1.121 61.458 62.300 0.464 0.000 0.887 4033 V CB 1.730 33.896 31.823 0.572 0.000 0.991 4033 V HN 0.597 nan 8.190 nan 0.000 0.434 4034 L N 4.548 125.950 121.223 0.299 0.000 2.317 4034 L HA 0.953 5.292 4.340 -0.001 0.000 0.281 4034 L C 0.303 177.152 176.870 -0.035 0.000 1.024 4034 L CA 0.646 55.578 54.840 0.153 0.000 0.810 4034 L CB 1.301 43.403 42.059 0.072 0.000 1.240 4034 L HN 1.040 nan 8.230 nan 0.000 0.427 4035 G N 4.309 112.898 108.800 -0.352 0.000 3.247 4035 G HA2 0.625 4.584 3.960 -0.001 0.000 0.226 4035 G HA3 0.625 4.584 3.960 -0.001 0.000 0.226 4035 G C -1.443 173.123 174.900 -0.558 0.000 1.220 4035 G CA -0.493 44.120 45.100 -0.811 0.000 0.875 4035 G HN 0.728 nan 8.290 nan 0.000 0.606 4036 K N -1.323 118.699 120.400 -0.630 0.000 2.551 4036 K HA 0.630 4.949 4.320 -0.001 0.000 0.269 4036 K C -1.886 174.486 176.600 -0.379 0.000 0.949 4036 K CA -0.844 55.216 56.287 -0.379 0.000 0.849 4036 K CB 1.921 34.288 32.500 -0.223 0.000 1.411 4036 K HN 0.276 nan 8.250 nan 0.000 0.432 4037 F N 1.161 121.056 119.950 -0.091 0.000 2.404 4037 F HA 0.488 5.014 4.527 -0.001 0.000 0.339 4037 F C -0.384 175.404 175.800 -0.020 0.000 1.105 4037 F CA -0.704 57.273 58.000 -0.038 0.000 1.087 4037 F CB 2.101 41.096 39.000 -0.009 0.000 1.143 4037 F HN 0.113 nan 8.300 nan 0.000 0.491 4038 V N 2.692 122.743 119.914 0.228 0.000 2.577 4038 V HA 0.325 4.444 4.120 -0.001 0.000 0.303 4038 V C -0.483 175.690 176.094 0.132 0.000 1.042 4038 V CA -0.836 61.549 62.300 0.141 0.000 0.872 4038 V CB 1.866 33.755 31.823 0.110 0.000 0.998 4038 V HN 0.769 nan 8.190 nan 0.000 0.423 4039 S N 4.155 119.915 115.700 0.100 0.000 2.632 4039 S HA 0.737 5.206 4.470 -0.001 0.000 0.271 4039 S C -0.607 174.041 174.600 0.079 0.000 1.260 4039 S CA -0.408 57.842 58.200 0.083 0.000 1.010 4039 S CB 1.445 64.688 63.200 0.072 0.000 0.965 4039 S HN 0.557 nan 8.310 nan 0.000 0.534 4040 L N 2.319 123.594 121.223 0.086 0.000 2.404 4040 L HA 0.483 4.822 4.340 -0.001 0.000 0.272 4040 L C -0.799 176.208 176.870 0.229 0.000 0.980 4040 L CA -0.462 54.438 54.840 0.102 0.000 0.836 4040 L CB 1.134 43.145 42.059 -0.079 0.000 1.238 4040 L HN 0.536 nan 8.230 nan 0.000 0.408 4041 E N 3.848 124.164 120.200 0.195 0.000 3.056 4041 E HA 0.270 4.620 4.350 -0.001 0.000 0.264 4041 E C 1.078 177.804 176.600 0.211 0.000 0.899 4041 E CA 2.003 58.510 56.400 0.178 0.000 0.966 4041 E CB 0.002 29.797 29.700 0.159 0.000 0.913 4041 E HN 0.946 nan 8.360 nan 0.000 0.522 4042 G N 2.534 111.393 108.800 0.097 0.000 2.295 4042 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.287 4042 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.287 4042 G C -0.496 174.267 174.900 -0.228 0.000 1.055 4042 G CA -0.162 44.910 45.100 -0.047 0.000 0.922 4042 G HN 0.343 nan 8.290 nan 0.000 0.503 4043 F N -1.132 118.801 119.950 -0.028 0.000 2.653 4043 F HA 0.588 5.114 4.527 -0.001 0.000 0.327 4043 F C 1.079 176.862 175.800 -0.028 0.000 1.195 4043 F CA -0.140 57.833 58.000 -0.044 0.000 0.993 4043 F CB 1.342 40.300 39.000 -0.070 0.000 1.259 4043 F HN 0.168 nan 8.300 nan 0.000 0.478 4044 A N 2.177 125.065 122.820 0.112 0.000 1.865 4044 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 4044 A C 1.037 178.660 177.584 0.065 0.000 1.191 4044 A CA 1.455 53.529 52.037 0.061 0.000 0.623 4044 A CB -0.365 18.652 19.000 0.029 0.000 0.826 4044 A HN 0.638 nan 8.150 nan 0.000 0.444 4045 Q N 0.806 120.665 119.800 0.099 0.000 2.274 4045 Q HA 0.437 4.776 4.340 -0.001 0.000 0.256 4045 Q C -2.570 173.475 176.000 0.074 0.000 0.927 4045 Q CA -2.577 53.262 55.803 0.060 0.000 0.939 4045 Q CB 1.155 29.937 28.738 0.074 0.000 1.201 4045 Q HN 0.369 nan 8.270 nan 0.000 0.426 4046 P HA 0.160 nan 4.420 nan 0.000 0.276 4046 P C -0.928 176.502 177.300 0.218 0.000 1.252 4046 P CA -0.441 62.715 63.100 0.094 0.000 0.802 4046 P CB 1.034 32.755 31.700 0.036 0.000 1.035 4047 V N 0.804 120.855 119.914 0.228 0.000 2.539 4047 V HA 0.463 4.582 4.120 -0.001 0.000 0.292 4047 V C 0.574 176.829 176.094 0.267 0.000 1.045 4047 V CA -0.690 61.755 62.300 0.242 0.000 0.945 4047 V CB 1.214 33.130 31.823 0.156 0.000 0.993 4047 V HN 0.765 nan 8.190 nan 0.000 0.464 4048 A N 6.352 129.292 122.820 0.200 0.000 2.279 4048 A HA 0.706 5.025 4.320 -0.001 0.000 0.306 4048 A C -0.407 177.193 177.584 0.027 0.000 1.300 4048 A CA -0.280 51.737 52.037 -0.034 0.000 0.925 4048 A CB -0.222 18.853 19.000 0.125 0.000 1.152 4048 A HN 0.731 nan 8.150 nan 0.000 0.544 4049 I N 2.307 122.732 120.570 -0.242 0.000 2.377 4049 I HA 0.444 4.613 4.170 -0.001 0.000 0.293 4049 I C -1.143 174.653 176.117 -0.534 0.000 0.987 4049 I CA -0.323 60.800 61.300 -0.293 0.000 1.185 4049 I CB 1.427 39.276 38.000 -0.252 0.000 1.341 4049 I HN 0.505 nan 8.210 nan 0.000 0.455 4050 F N 6.290 126.062 119.950 -0.296 0.000 2.507 4050 F HA 0.565 5.091 4.527 -0.001 0.000 0.328 4050 F C -0.335 175.318 175.800 -0.244 0.000 1.136 4050 F CA -0.559 57.325 58.000 -0.193 0.000 0.930 4050 F CB 1.466 40.416 39.000 -0.085 0.000 1.166 4050 F HN 0.119 nan 8.300 nan 0.000 0.436 4051 L N 1.975 123.133 121.223 -0.107 0.000 2.334 4051 L HA 0.745 5.084 4.340 -0.001 0.000 0.276 4051 L C 0.768 177.602 176.870 -0.061 0.000 1.014 4051 L CA -1.176 53.595 54.840 -0.115 0.000 0.815 4051 L CB 1.791 43.684 42.059 -0.277 0.000 1.268 4051 L HN 0.848 nan 8.230 nan 0.000 0.428 4052 G N 2.805 111.596 108.800 -0.014 0.000 2.314 4052 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.292 4052 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.292 4052 G C -0.209 174.780 174.900 0.149 0.000 1.059 4052 G CA -0.207 44.872 45.100 -0.034 0.000 0.982 4052 G HN 0.458 nan 8.290 nan 0.000 0.505 4053 I N 2.044 122.710 120.570 0.160 0.000 2.371 4053 I HA 0.264 4.433 4.170 -0.001 0.000 0.290 4053 I C -1.349 174.838 176.117 0.115 0.000 1.028 4053 I CA -2.271 59.108 61.300 0.132 0.000 1.345 4053 I CB 1.329 39.352 38.000 0.039 0.000 1.407 4053 I HN 0.022 nan 8.210 nan 0.000 0.501 4054 P HA 0.063 nan 4.420 nan 0.000 0.280 4054 P C -0.273 176.942 177.300 -0.141 0.000 1.244 4054 P CA -0.090 62.839 63.100 -0.285 0.000 0.784 4054 P CB 0.730 32.263 31.700 -0.278 0.000 0.913 4055 F N 0.779 120.542 119.950 -0.311 0.000 2.682 4055 F HA 0.742 5.268 4.527 -0.001 0.000 0.308 4055 F C 0.026 175.850 175.800 0.039 0.000 1.093 4055 F CA -0.855 56.996 58.000 -0.249 0.000 1.244 4055 F CB 0.117 38.850 39.000 -0.445 0.000 1.052 4055 F HN 0.407 nan 8.300 nan 0.000 0.573 4056 A N 0.558 123.227 122.820 -0.252 0.000 2.599 4056 A HA 0.511 4.830 4.320 -0.001 0.000 0.290 4056 A C -1.276 176.187 177.584 -0.202 0.000 1.101 4056 A CA -1.139 50.818 52.037 -0.133 0.000 0.674 4056 A CB 0.810 19.698 19.000 -0.186 0.000 1.277 4056 A HN 0.203 nan 8.150 nan 0.000 0.419 4057 K N 0.657 120.991 120.400 -0.110 0.000 2.326 4057 K HA 0.437 4.756 4.320 -0.001 0.000 0.275 4057 K C -2.454 174.049 176.600 -0.162 0.000 1.018 4057 K CA -1.319 54.900 56.287 -0.113 0.000 0.962 4057 K CB 0.328 32.791 32.500 -0.061 0.000 0.953 4057 K HN 0.349 nan 8.250 nan 0.000 0.475 4058 P HA -0.006 nan 4.420 nan 0.000 0.264 4058 P C -2.437 174.785 177.300 -0.131 0.000 1.193 4058 P CA -0.923 62.080 63.100 -0.162 0.000 0.763 4058 P CB 0.290 31.922 31.700 -0.114 0.000 0.810 4059 P HA 0.109 nan 4.420 nan 0.000 0.220 4059 P C -0.781 176.442 177.300 -0.129 0.000 1.806 4059 P CA 0.340 63.358 63.100 -0.138 0.000 0.976 4059 P CB 0.047 31.658 31.700 -0.147 0.000 1.952 4060 L N 0.264 121.425 121.223 -0.104 0.000 2.334 4060 L HA 0.565 4.904 4.340 -0.001 0.000 0.275 4060 L C 1.607 178.428 176.870 -0.082 0.000 1.036 4060 L CA -0.242 54.548 54.840 -0.084 0.000 0.807 4060 L CB 1.064 43.085 42.059 -0.063 0.000 1.231 4060 L HN 0.329 nan 8.230 nan 0.000 0.438 4061 G N 2.757 111.511 108.800 -0.077 0.000 2.620 4061 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.315 4061 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.315 4061 G C -1.208 173.648 174.900 -0.074 0.000 1.179 4061 G CA 0.369 45.430 45.100 -0.065 0.000 0.971 4061 G HN 0.603 nan 8.290 nan 0.000 0.544 4062 P HA 0.069 nan 4.420 nan 0.000 0.223 4062 P C 1.968 179.228 177.300 -0.067 0.000 1.151 4062 P CA 1.342 64.423 63.100 -0.032 0.000 0.787 4062 P CB -0.115 31.579 31.700 -0.010 0.000 0.788 4063 L N -1.059 120.107 121.223 -0.094 0.000 2.599 4063 L HA 0.095 4.434 4.340 -0.001 0.000 0.230 4063 L C 1.752 178.491 176.870 -0.218 0.000 1.141 4063 L CA -0.115 54.650 54.840 -0.126 0.000 0.877 4063 L CB -0.473 41.525 42.059 -0.103 0.000 1.009 4063 L HN -0.048 nan 8.230 nan 0.000 0.447 4064 R N 0.543 120.881 120.500 -0.270 0.000 2.490 4064 R HA 0.055 4.394 4.340 -0.001 0.000 0.280 4064 R C -0.208 175.749 176.300 -0.571 0.000 1.077 4064 R CA -0.319 55.473 56.100 -0.514 0.000 1.065 4064 R CB 0.349 30.264 30.300 -0.641 0.000 1.003 4064 R HN 0.038 nan 8.270 nan 0.000 0.470 4065 F N 0.284 119.863 119.950 -0.618 0.000 3.080 4065 F HA -0.265 4.260 4.527 -0.002 0.000 0.292 4065 F C -0.066 174.789 175.800 -1.575 0.000 0.891 4065 F CA 1.417 58.706 58.000 -1.186 0.000 1.086 4065 F CB -2.509 36.211 39.000 -0.467 0.000 1.095 4065 F HN 0.664 nan 8.300 nan 0.000 0.633 4066 T N -3.746 110.127 114.554 -1.135 0.000 2.868 4066 T HA 0.745 5.095 4.350 -0.001 0.000 0.306 4066 T C -2.974 171.584 174.700 -0.237 0.000 1.224 4066 T CA -2.401 59.307 62.100 -0.652 0.000 1.012 4066 T CB 3.157 71.881 68.868 -0.239 0.000 1.221 4066 T HN -0.253 nan 8.240 nan 0.000 0.499 4067 P HA 0.216 nan 4.420 nan 0.000 0.267 4067 P C -2.364 175.005 177.300 0.116 0.000 1.201 4067 P CA -0.782 62.464 63.100 0.244 0.000 0.775 4067 P CB -0.315 31.527 31.700 0.238 0.000 0.854 4068 P HA 0.040 nan 4.420 nan 0.000 0.271 4068 P C -0.640 176.710 177.300 0.084 0.000 1.220 4068 P CA 0.155 63.307 63.100 0.086 0.000 0.768 4068 P CB 0.704 32.487 31.700 0.139 0.000 0.848 4069 Q N 3.267 123.091 119.800 0.040 0.000 2.212 4069 Q HA 0.427 4.766 4.340 -0.001 0.000 0.238 4069 Q C -2.220 173.818 176.000 0.063 0.000 0.955 4069 Q CA -1.824 54.006 55.803 0.045 0.000 0.906 4069 Q CB 0.015 28.760 28.738 0.011 0.000 1.215 4069 Q HN 0.372 nan 8.270 nan 0.000 0.478 4070 P HA 0.116 nan 4.420 nan 0.000 0.276 4070 P C -1.148 176.170 177.300 0.030 0.000 1.244 4070 P CA -0.108 63.065 63.100 0.121 0.000 0.801 4070 P CB 0.542 32.322 31.700 0.134 0.000 1.006 4071 A N 1.862 124.701 122.820 0.030 0.000 2.407 4071 A HA 0.174 4.493 4.320 -0.001 0.000 0.248 4071 A C 0.230 177.626 177.584 -0.313 0.000 1.082 4071 A CA -0.228 51.755 52.037 -0.091 0.000 0.785 4071 A CB -0.165 18.892 19.000 0.096 0.000 1.020 4071 A HN 0.435 nan 8.150 nan 0.000 0.489 4072 E N 2.944 123.071 120.200 -0.121 0.000 2.290 4072 E HA 0.240 4.589 4.350 -0.001 0.000 0.277 4072 E C -2.064 174.511 176.600 -0.043 0.000 1.035 4072 E CA -1.562 54.785 56.400 -0.089 0.000 0.873 4072 E CB 0.312 30.015 29.700 0.004 0.000 1.029 4072 E HN 0.505 nan 8.360 nan 0.000 0.419 4073 P HA 0.022 nan 4.420 nan 0.000 0.269 4073 P C -0.649 176.697 177.300 0.076 0.000 1.217 4073 P CA -0.025 62.997 63.100 -0.130 0.000 0.783 4073 P CB 0.324 31.938 31.700 -0.142 0.000 0.898 4074 W N -0.096 121.231 121.300 0.045 0.000 2.962 4074 W HA 0.651 5.310 4.660 -0.001 0.000 0.341 4074 W C -1.198 175.322 176.519 0.002 0.000 1.155 4074 W CA -0.908 56.462 57.345 0.041 0.000 1.165 4074 W CB 0.221 29.731 29.460 0.083 0.000 1.435 4074 W HN 0.156 nan 8.180 nan 0.000 0.546 4075 S N 1.901 117.732 115.700 0.219 0.000 2.617 4075 S HA 0.739 5.208 4.470 -0.001 0.000 0.283 4075 S C -0.560 174.083 174.600 0.071 0.000 1.189 4075 S CA -0.324 57.805 58.200 -0.119 0.000 1.036 4075 S CB 0.384 63.374 63.200 -0.351 0.000 1.014 4075 S HN 0.601 nan 8.310 nan 0.000 0.522 4076 F N -1.262 118.799 119.950 0.185 0.000 2.183 4076 F HA -0.237 4.289 4.527 -0.001 0.000 0.318 4076 F C -0.160 175.802 175.800 0.270 0.000 0.131 4076 F CA -0.271 57.837 58.000 0.180 0.000 0.912 4076 F CB -0.921 38.162 39.000 0.139 0.000 4.135 4076 F HN 0.328 nan 8.300 nan 0.000 0.137 4077 V N 1.213 121.388 119.914 0.434 0.000 2.364 4077 V HA 0.263 4.382 4.120 -0.001 0.000 0.272 4077 V C 0.139 176.384 176.094 0.252 0.000 1.036 4077 V CA -0.651 61.850 62.300 0.335 0.000 0.880 4077 V CB 1.191 33.152 31.823 0.230 0.000 0.991 4077 V HN 0.513 nan 8.190 nan 0.000 0.460 4078 K N 4.433 124.977 120.400 0.241 0.000 2.349 4078 K HA 0.148 4.467 4.320 -0.001 0.000 0.288 4078 K C 0.180 176.785 176.600 0.007 0.000 1.058 4078 K CA -0.316 55.935 56.287 -0.060 0.000 0.953 4078 K CB 0.311 32.488 32.500 -0.537 0.000 0.997 4078 K HN 0.662 nan 8.250 nan 0.000 0.477 4079 N N 3.131 121.809 118.700 -0.037 0.000 2.411 4079 N HA 0.135 4.874 4.740 -0.001 0.000 0.259 4079 N C -1.171 174.304 175.510 -0.058 0.000 1.103 4079 N CA -0.105 52.926 53.050 -0.032 0.000 0.954 4079 N CB 1.205 39.661 38.487 -0.051 0.000 1.085 4079 N HN 0.587 nan 8.380 nan 0.000 0.485 4080 A N 2.948 125.751 122.820 -0.028 0.000 3.232 4080 A HA 0.265 4.584 4.320 -0.001 0.000 0.312 4080 A C 0.461 177.957 177.584 -0.146 0.000 1.185 4080 A CA -0.483 51.532 52.037 -0.038 0.000 1.011 4080 A CB -0.589 18.491 19.000 0.134 0.000 1.096 4080 A HN 0.679 nan 8.150 nan 0.000 0.543 4081 T N -3.084 111.359 114.554 -0.185 0.000 3.288 4081 T HA 0.393 4.742 4.350 -0.001 0.000 0.293 4081 T C 0.021 174.545 174.700 -0.292 0.000 1.008 4081 T CA -0.124 61.825 62.100 -0.252 0.000 0.929 4081 T CB -0.141 68.601 68.868 -0.209 0.000 1.152 4081 T HN 0.164 nan 8.240 nan 0.000 0.517 4082 S N 1.084 116.615 115.700 -0.282 0.000 2.594 4082 S HA 0.562 5.031 4.470 -0.001 0.000 0.296 4082 S C -1.114 173.324 174.600 -0.270 0.000 1.124 4082 S CA -0.807 57.227 58.200 -0.277 0.000 1.011 4082 S CB 0.717 63.814 63.200 -0.172 0.000 1.016 4082 S HN 0.344 nan 8.310 nan 0.000 0.485 4083 Y N 3.837 124.074 120.300 -0.104 0.000 2.712 4083 Y HA 0.154 4.703 4.550 -0.001 0.000 0.333 4083 Y C -1.306 174.488 175.900 -0.177 0.000 1.225 4083 Y CA -0.929 57.107 58.100 -0.107 0.000 1.499 4083 Y CB -0.214 38.204 38.460 -0.071 0.000 1.288 4083 Y HN 0.410 nan 8.280 nan 0.000 0.575 4084 P HA 0.234 nan 4.420 nan 0.000 0.277 4084 P C -2.658 174.538 177.300 -0.173 0.000 1.271 4084 P CA -1.577 61.327 63.100 -0.327 0.000 0.795 4084 P CB 0.675 32.042 31.700 -0.556 0.000 1.101 4085 P HA 0.280 nan 4.420 nan 0.000 0.275 4085 P C -0.291 176.959 177.300 -0.083 0.000 1.266 4085 P CA -0.200 62.827 63.100 -0.122 0.000 0.793 4085 P CB 0.223 31.850 31.700 -0.122 0.000 1.074 4086 M N -1.088 118.455 119.600 -0.094 0.000 2.472 4086 M HA 0.530 5.009 4.480 -0.001 0.000 0.331 4086 M C -0.858 175.364 176.300 -0.131 0.000 1.170 4086 M CA -0.770 54.474 55.300 -0.093 0.000 1.009 4086 M CB 0.932 33.462 32.600 -0.117 0.000 1.672 4086 M HN 0.103 nan 8.290 nan 0.000 0.453 4087 c N 1.511 120.028 118.600 -0.138 0.000 2.665 4087 c HA 0.122 4.691 4.570 -0.001 0.000 0.416 4087 c C 0.981 174.888 174.090 -0.306 0.000 1.305 4087 c CA -0.203 55.990 56.329 -0.227 0.000 1.903 4087 c CB -0.453 41.939 42.510 -0.197 0.000 2.704 4087 c HN 0.864 nan 8.230 nan 0.000 0.629 4088 T N 3.980 118.213 114.554 -0.535 0.000 2.891 4088 T HA 0.284 4.633 4.350 -0.001 0.000 0.296 4088 T C 0.058 174.515 174.700 -0.404 0.000 1.025 4088 T CA 0.604 62.323 62.100 -0.635 0.000 1.149 4088 T CB -0.183 67.882 68.868 -1.339 0.000 1.007 4088 T HN 0.890 nan 8.240 nan 0.000 0.528 4089 Q N 1.198 120.888 119.800 -0.184 0.000 2.804 4089 Q HA 0.313 4.652 4.340 -0.001 0.000 0.302 4089 Q C -1.592 174.414 176.000 0.011 0.000 0.885 4089 Q CA -1.176 54.617 55.803 -0.016 0.000 0.759 4089 Q CB 0.843 29.567 28.738 -0.024 0.000 1.465 4089 Q HN 0.380 nan 8.270 nan 0.000 0.432 4090 D N 2.194 122.629 120.400 0.059 0.000 2.426 4090 D HA 0.020 4.660 4.640 -0.001 0.000 0.261 4090 D C -1.216 175.083 176.300 -0.000 0.000 1.245 4090 D CA -1.158 52.869 54.000 0.045 0.000 0.917 4090 D CB 1.069 41.904 40.800 0.059 0.000 1.123 4090 D HN 0.324 nan 8.370 nan 0.000 0.508 4091 P HA -0.183 nan 4.420 nan 0.000 0.216 4091 P C 1.215 178.494 177.300 -0.034 0.000 1.150 4091 P CA 1.114 64.194 63.100 -0.035 0.000 0.837 4091 P CB 0.519 32.200 31.700 -0.032 0.000 0.786 4092 K N -0.193 120.194 120.400 -0.021 0.000 2.001 4092 K HA -0.029 4.290 4.320 -0.001 0.000 0.208 4092 K C 2.413 178.995 176.600 -0.031 0.000 1.048 4092 K CA 1.433 57.706 56.287 -0.023 0.000 0.932 4092 K CB -0.584 31.908 32.500 -0.013 0.000 0.715 4092 K HN -0.017 nan 8.250 nan 0.000 0.437 4093 A N 0.912 123.718 122.820 -0.024 0.000 1.933 4093 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 4093 A C 2.308 179.855 177.584 -0.061 0.000 1.175 4093 A CA 1.985 54.001 52.037 -0.036 0.000 0.628 4093 A CB -1.160 17.832 19.000 -0.013 0.000 0.814 4093 A HN 0.480 nan 8.150 nan 0.000 0.444 4094 G N -0.824 107.942 108.800 -0.058 0.000 2.459 4094 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.217 4094 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.217 4094 G C 1.636 176.473 174.900 -0.105 0.000 1.183 4094 G CA 1.110 46.158 45.100 -0.086 0.000 0.776 4094 G HN 0.611 nan 8.290 nan 0.000 0.552 4095 Q N -0.440 119.308 119.800 -0.087 0.000 2.096 4095 Q HA -0.141 4.198 4.340 -0.001 0.000 0.204 4095 Q C 2.495 178.445 176.000 -0.084 0.000 0.982 4095 Q CA 1.527 57.278 55.803 -0.086 0.000 0.850 4095 Q CB -0.226 28.473 28.738 -0.064 0.000 0.901 4095 Q HN 0.415 nan 8.270 nan 0.000 0.422 4096 L N 0.532 121.711 121.223 -0.075 0.000 1.994 4096 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 4096 L C 2.267 179.073 176.870 -0.108 0.000 1.071 4096 L CA 1.546 56.346 54.840 -0.067 0.000 0.745 4096 L CB -0.806 41.219 42.059 -0.056 0.000 0.892 4096 L HN 0.373 nan 8.230 nan 0.000 0.431 4097 L N -1.017 120.106 121.223 -0.167 0.000 2.017 4097 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 4097 L C 2.717 179.411 176.870 -0.293 0.000 1.073 4097 L CA 2.149 56.806 54.840 -0.305 0.000 0.745 4097 L CB -1.046 40.820 42.059 -0.321 0.000 0.894 4097 L HN 0.468 nan 8.230 nan 0.000 0.432 4098 S N -0.899 114.674 115.700 -0.211 0.000 2.365 4098 S HA -0.277 4.193 4.470 -0.001 0.000 0.225 4098 S C 1.976 176.487 174.600 -0.148 0.000 1.039 4098 S CA 1.794 59.869 58.200 -0.208 0.000 1.033 4098 S CB -0.352 62.732 63.200 -0.193 0.000 0.887 4098 S HN 0.610 nan 8.310 nan 0.000 0.447 4099 E N 0.196 120.341 120.200 -0.092 0.000 2.038 4099 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 4099 E C 2.073 178.710 176.600 0.062 0.000 1.000 4099 E CA 1.609 57.994 56.400 -0.025 0.000 0.803 4099 E CB -0.280 29.416 29.700 -0.008 0.000 0.750 4099 E HN 0.520 nan 8.360 nan 0.000 0.448 4100 L N -0.307 120.968 121.223 0.087 0.000 2.265 4100 L HA -0.132 4.207 4.340 -0.001 0.000 0.215 4100 L C 1.589 178.807 176.870 0.580 0.000 1.117 4100 L CA 0.493 55.501 54.840 0.279 0.000 0.782 4100 L CB -0.058 42.128 42.059 0.212 0.000 0.914 4100 L HN 0.127 nan 8.230 nan 0.000 0.441 4101 F N -1.471 118.452 119.950 -0.045 0.000 2.706 4101 F HA 0.193 4.719 4.527 -0.001 0.000 0.308 4101 F C 1.434 176.972 175.800 -0.435 0.000 1.095 4101 F CA -0.669 57.190 58.000 -0.236 0.000 1.244 4101 F CB -0.383 38.465 39.000 -0.253 0.000 1.063 4101 F HN -0.227 nan 8.300 nan 0.000 0.582 4102 T N 1.859 116.337 114.554 -0.127 0.000 2.918 4102 T HA 0.063 4.412 4.350 -0.001 0.000 0.302 4102 T C 1.115 175.735 174.700 -0.134 0.000 1.045 4102 T CA -0.145 61.794 62.100 -0.268 0.000 1.114 4102 T CB 0.382 69.120 68.868 -0.217 0.000 0.965 4102 T HN 0.330 nan 8.240 nan 0.000 0.540 4103 N N 3.307 121.872 118.700 -0.226 0.000 2.234 4103 N HA 0.107 4.846 4.740 -0.001 0.000 0.227 4103 N C 0.127 175.559 175.510 -0.130 0.000 1.151 4103 N CA -0.381 52.576 53.050 -0.155 0.000 0.865 4103 N CB 0.297 38.690 38.487 -0.157 0.000 1.066 4103 N HN 0.460 nan 8.380 nan 0.000 0.515 4104 R N 0.323 120.754 120.500 -0.114 0.000 2.705 4104 R HA 0.418 4.757 4.340 -0.001 0.000 0.246 4104 R C 0.955 177.228 176.300 -0.045 0.000 1.142 4104 R CA -0.741 55.321 56.100 -0.064 0.000 1.114 4104 R CB 1.425 31.687 30.300 -0.063 0.000 1.256 4104 R HN -0.107 nan 8.270 nan 0.000 0.536 4105 K N 0.997 121.390 120.400 -0.013 0.000 1.991 4105 K HA -0.065 4.254 4.320 -0.001 0.000 0.207 4105 K C -0.118 176.481 176.600 -0.002 0.000 1.045 4105 K CA 1.368 57.657 56.287 0.004 0.000 0.937 4105 K CB 0.151 32.664 32.500 0.022 0.000 0.720 4105 K HN 0.451 nan 8.250 nan 0.000 0.438 4106 E N 0.914 121.108 120.200 -0.009 0.000 2.183 4106 E HA 0.157 4.506 4.350 -0.001 0.000 0.271 4106 E C -1.040 175.533 176.600 -0.045 0.000 0.919 4106 E CA -0.426 55.964 56.400 -0.017 0.000 0.781 4106 E CB 1.738 31.434 29.700 -0.007 0.000 1.140 4106 E HN 0.129 nan 8.360 nan 0.000 0.402 4107 N N 2.705 121.373 118.700 -0.054 0.000 2.513 4107 N HA 0.041 4.780 4.740 -0.001 0.000 0.268 4107 N C -0.456 174.990 175.510 -0.105 0.000 1.180 4107 N CA -0.524 52.471 53.050 -0.092 0.000 0.948 4107 N CB 0.513 38.951 38.487 -0.082 0.000 1.083 4107 N HN 0.332 nan 8.380 nan 0.000 0.455 4108 I N 5.176 125.645 120.570 -0.169 0.000 2.363 4108 I HA 0.144 4.314 4.170 -0.001 0.000 0.292 4108 I C -1.807 174.219 176.117 -0.151 0.000 1.075 4108 I CA -2.109 59.078 61.300 -0.188 0.000 1.333 4108 I CB 0.229 37.981 38.000 -0.413 0.000 1.415 4108 I HN 0.411 nan 8.210 nan 0.000 0.502 4109 P HA 0.233 nan 4.420 nan 0.000 0.274 4109 P C -0.397 176.854 177.300 -0.081 0.000 1.291 4109 P CA -0.060 62.993 63.100 -0.079 0.000 0.815 4109 P CB 0.646 32.315 31.700 -0.051 0.000 0.897 4110 L N 3.602 124.764 121.223 -0.101 0.000 2.439 4110 L HA 0.427 4.766 4.340 -0.001 0.000 0.259 4110 L C 1.122 177.943 176.870 -0.082 0.000 1.129 4110 L CA -0.779 54.004 54.840 -0.096 0.000 0.803 4110 L CB 0.686 42.673 42.059 -0.121 0.000 1.161 4110 L HN 0.227 nan 8.230 nan 0.000 0.462 4111 K N 1.404 121.755 120.400 -0.081 0.000 2.267 4111 K HA 0.596 4.915 4.320 -0.001 0.000 0.246 4111 K C -1.187 175.354 176.600 -0.099 0.000 0.954 4111 K CA -0.794 55.444 56.287 -0.082 0.000 0.824 4111 K CB 2.145 34.601 32.500 -0.074 0.000 1.167 4111 K HN 0.340 nan 8.250 nan 0.000 0.431 4112 L N 0.975 122.135 121.223 -0.105 0.000 2.375 4112 L HA 0.429 4.768 4.340 -0.001 0.000 0.271 4112 L C 0.221 177.002 176.870 -0.149 0.000 1.107 4112 L CA -0.227 54.529 54.840 -0.138 0.000 0.806 4112 L CB 1.482 43.455 42.059 -0.144 0.000 1.146 4112 L HN 0.610 nan 8.230 nan 0.000 0.447 4113 S N -0.060 115.525 115.700 -0.192 0.000 2.558 4113 S HA 0.186 4.655 4.470 -0.001 0.000 0.277 4113 S C 0.097 174.544 174.600 -0.256 0.000 1.143 4113 S CA -0.636 57.453 58.200 -0.185 0.000 0.865 4113 S CB 1.405 64.535 63.200 -0.116 0.000 1.102 4113 S HN 0.750 nan 8.310 nan 0.000 0.454 4114 E N 1.020 121.066 120.200 -0.258 0.000 2.216 4114 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 4114 E C -0.262 176.231 176.600 -0.178 0.000 0.988 4114 E CA 0.491 56.709 56.400 -0.304 0.000 0.834 4114 E CB 0.074 29.653 29.700 -0.201 0.000 0.772 4114 E HN 0.540 nan 8.360 nan 0.000 0.479 4115 D N 0.554 120.891 120.400 -0.104 0.000 2.453 4115 D HA 0.006 4.645 4.640 -0.001 0.000 0.223 4115 D C 0.097 176.450 176.300 0.087 0.000 1.183 4115 D CA -0.359 53.625 54.000 -0.026 0.000 0.933 4115 D CB 0.077 40.888 40.800 0.019 0.000 1.038 4115 D HN 0.152 nan 8.370 nan 0.000 0.513 4116 c N 2.577 121.197 118.600 0.033 0.000 3.772 4116 c HA 0.373 4.942 4.570 -0.001 0.000 0.293 4116 c C 0.701 174.839 174.090 0.080 0.000 1.659 4116 c CA -0.691 55.723 56.329 0.142 0.000 1.810 4116 c CB -1.313 41.189 42.510 -0.013 0.000 3.059 4116 c HN 0.461 nan 8.230 nan 0.000 0.617 4117 L N 2.622 123.653 121.223 -0.319 0.000 2.382 4117 L HA 0.338 4.677 4.340 -0.001 0.000 0.259 4117 L C -0.689 175.576 176.870 -1.010 0.000 1.291 4117 L CA 0.633 55.061 54.840 -0.688 0.000 1.176 4117 L CB -0.829 40.666 42.059 -0.941 0.000 1.373 4117 L HN 0.402 nan 8.230 nan 0.000 0.426 4118 Y N 1.790 121.993 120.300 -0.161 0.000 2.665 4118 Y HA 0.736 5.285 4.550 -0.002 0.000 0.336 4118 Y C -0.100 175.947 175.900 0.245 0.000 1.085 4118 Y CA -1.310 56.790 58.100 0.001 0.000 1.096 4118 Y CB 1.703 40.143 38.460 -0.033 0.000 1.301 4118 Y HN 0.145 nan 8.280 nan 0.000 0.493 4119 L N -0.469 120.931 121.223 0.296 0.000 2.415 4119 L HA 0.758 5.097 4.340 -0.001 0.000 0.256 4119 L C -1.512 175.405 176.870 0.079 0.000 1.010 4119 L CA -1.076 53.858 54.840 0.157 0.000 0.826 4119 L CB 1.839 43.878 42.059 -0.033 0.000 1.405 4119 L HN 0.406 nan 8.230 nan 0.000 0.410 4120 N N 1.267 120.029 118.700 0.104 0.000 2.319 4120 N HA 0.758 5.497 4.740 -0.001 0.000 0.305 4120 N C -1.316 174.188 175.510 -0.011 0.000 1.103 4120 N CA -0.228 52.844 53.050 0.037 0.000 0.815 4120 N CB 2.642 41.218 38.487 0.149 0.000 1.288 4120 N HN 0.694 nan 8.380 nan 0.000 0.493 4121 I N 1.895 122.354 120.570 -0.185 0.000 2.466 4121 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 4121 I C -1.215 174.775 176.117 -0.211 0.000 1.026 4121 I CA -0.717 60.503 61.300 -0.135 0.000 1.078 4121 I CB 1.217 39.010 38.000 -0.346 0.000 1.249 4121 I HN 0.318 nan 8.210 nan 0.000 0.429 4122 Y N 3.684 124.068 120.300 0.139 0.000 2.328 4122 Y HA 0.490 5.039 4.550 -0.002 0.000 0.333 4122 Y C 0.358 176.347 175.900 0.149 0.000 0.958 4122 Y CA -0.774 57.417 58.100 0.153 0.000 1.167 4122 Y CB 1.970 40.513 38.460 0.138 0.000 1.151 4122 Y HN 0.353 nan 8.280 nan 0.000 0.470 4123 T N 5.311 120.028 114.554 0.271 0.000 2.881 4123 T HA 0.330 4.680 4.350 -0.001 0.000 0.291 4123 T C -2.190 172.643 174.700 0.222 0.000 0.990 4123 T CA -2.224 60.020 62.100 0.240 0.000 0.976 4123 T CB 1.404 70.427 68.868 0.259 0.000 0.970 4123 T HN 0.371 nan 8.240 nan 0.000 0.438 4124 P HA 0.236 nan 4.420 nan 0.000 0.245 4124 P C 0.555 177.947 177.300 0.154 0.000 1.206 4124 P CA -0.066 63.118 63.100 0.139 0.000 0.781 4124 P CB 0.055 31.800 31.700 0.076 0.000 0.994 4125 A N 1.195 124.112 122.820 0.162 0.000 2.475 4125 A HA 0.017 4.337 4.320 -0.001 0.000 0.239 4125 A C 0.129 177.814 177.584 0.169 0.000 1.087 4125 A CA 0.266 52.392 52.037 0.147 0.000 0.779 4125 A CB -0.561 18.524 19.000 0.142 0.000 1.036 4125 A HN 0.045 nan 8.150 nan 0.000 0.506 4126 D N 0.830 121.310 120.400 0.133 0.000 2.499 4126 D HA 0.375 5.014 4.640 -0.001 0.000 0.225 4126 D C 0.855 177.230 176.300 0.124 0.000 1.124 4126 D CA -0.220 53.860 54.000 0.133 0.000 0.938 4126 D CB -0.332 40.522 40.800 0.091 0.000 1.014 4126 D HN 0.396 nan 8.370 nan 0.000 0.517 4127 L N 2.098 123.417 121.223 0.160 0.000 2.450 4127 L HA -0.161 4.179 4.340 -0.001 0.000 0.225 4127 L C 2.404 179.323 176.870 0.083 0.000 1.145 4127 L CA 1.490 56.401 54.840 0.118 0.000 0.801 4127 L CB -0.816 41.333 42.059 0.150 0.000 0.924 4127 L HN 0.514 nan 8.230 nan 0.000 0.447 4128 T N -3.255 111.355 114.554 0.092 0.000 2.937 4128 T HA -0.025 4.324 4.350 -0.001 0.000 0.260 4128 T C 1.143 175.868 174.700 0.042 0.000 1.051 4128 T CA 0.319 62.458 62.100 0.065 0.000 1.141 4128 T CB 0.186 69.094 68.868 0.066 0.000 0.879 4128 T HN 0.218 nan 8.240 nan 0.000 0.459 4129 K N 0.563 120.990 120.400 0.046 0.000 2.526 4129 K HA 0.491 4.810 4.320 -0.001 0.000 0.256 4129 K C -0.247 176.370 176.600 0.028 0.000 1.035 4129 K CA -0.913 55.393 56.287 0.032 0.000 1.011 4129 K CB 0.798 33.318 32.500 0.035 0.000 1.343 4129 K HN 0.068 nan 8.250 nan 0.000 0.510 4130 K N 1.323 121.735 120.400 0.021 0.000 2.110 4130 K HA 0.202 4.521 4.320 -0.001 0.000 0.263 4130 K C -1.042 175.574 176.600 0.026 0.000 0.975 4130 K CA -0.414 55.882 56.287 0.015 0.000 0.895 4130 K CB 0.756 33.258 32.500 0.005 0.000 1.060 4130 K HN 0.481 nan 8.250 nan 0.000 0.448 4131 N N 2.724 121.442 118.700 0.030 0.000 2.503 4131 N HA 0.186 4.925 4.740 -0.001 0.000 0.287 4131 N C -1.344 174.189 175.510 0.038 0.000 1.096 4131 N CA -0.635 52.440 53.050 0.041 0.000 0.936 4131 N CB 1.672 40.197 38.487 0.062 0.000 1.570 4131 N HN 0.451 nan 8.380 nan 0.000 0.504 4132 R N 2.238 122.756 120.500 0.029 0.000 3.463 4132 R HA 0.380 4.719 4.340 -0.001 0.000 0.303 4132 R C 0.059 176.375 176.300 0.027 0.000 1.370 4132 R CA -0.350 55.763 56.100 0.023 0.000 1.524 4132 R CB 0.107 30.410 30.300 0.005 0.000 1.389 4132 R HN 0.497 nan 8.270 nan 0.000 0.640 4133 L N 2.562 123.812 121.223 0.046 0.000 2.452 4133 L HA 0.250 4.589 4.340 -0.001 0.000 0.267 4133 L C -1.655 175.243 176.870 0.046 0.000 1.188 4133 L CA -1.612 53.257 54.840 0.048 0.000 0.821 4133 L CB 0.195 42.296 42.059 0.070 0.000 1.102 4133 L HN -0.049 nan 8.230 nan 0.000 0.470 4134 P HA 0.112 nan 4.420 nan 0.000 0.275 4134 P C -0.864 176.473 177.300 0.060 0.000 1.227 4134 P CA -0.169 62.948 63.100 0.029 0.000 0.781 4134 P CB 1.248 32.950 31.700 0.003 0.000 0.906 4135 V N 4.837 124.800 119.914 0.081 0.000 2.513 4135 V HA 0.420 4.539 4.120 -0.001 0.000 0.299 4135 V C 0.510 176.683 176.094 0.131 0.000 1.035 4135 V CA -0.413 61.959 62.300 0.121 0.000 0.889 4135 V CB 1.326 33.235 31.823 0.143 0.000 0.988 4135 V HN 0.497 nan 8.190 nan 0.000 0.440 4136 M N 4.668 124.369 119.600 0.168 0.000 2.190 4136 M HA 0.533 5.012 4.480 -0.001 0.000 0.312 4136 M C -1.227 175.364 176.300 0.485 0.000 0.990 4136 M CA -0.623 54.805 55.300 0.213 0.000 0.927 4136 M CB 2.170 34.753 32.600 -0.028 0.000 1.571 4136 M HN 0.337 nan 8.290 nan 0.000 0.427 4137 V N 3.217 123.444 119.914 0.521 0.000 2.370 4137 V HA 0.311 4.430 4.120 -0.001 0.000 0.283 4137 V C -0.800 175.541 176.094 0.412 0.000 1.023 4137 V CA -0.545 62.011 62.300 0.426 0.000 0.857 4137 V CB 1.497 33.443 31.823 0.206 0.000 0.985 4137 V HN 0.845 nan 8.190 nan 0.000 0.443 4138 W N 7.226 128.535 121.300 0.014 0.000 2.331 4138 W HA 0.549 5.208 4.660 -0.002 0.000 0.306 4138 W C -1.125 175.247 176.519 -0.245 0.000 1.162 4138 W CA -0.737 56.340 57.345 -0.446 0.000 1.232 4138 W CB 1.110 30.317 29.460 -0.422 0.000 1.235 4138 W HN 0.446 nan 8.180 nan 0.000 0.479 4139 I N 7.968 127.960 120.570 -0.964 0.000 2.328 4139 I HA 0.063 4.232 4.170 -0.001 0.000 0.287 4139 I C 1.169 176.654 176.117 -1.052 0.000 1.012 4139 I CA -0.731 60.139 61.300 -0.715 0.000 1.195 4139 I CB 0.817 38.473 38.000 -0.573 0.000 1.350 4139 I HN 0.397 nan 8.210 nan 0.000 0.464 4140 H N 4.803 123.584 119.070 -0.483 0.000 2.730 4140 H HA 0.444 4.999 4.556 -0.001 0.000 0.376 4140 H C -0.007 175.309 175.328 -0.021 0.000 1.299 4140 H CA -0.499 55.389 56.048 -0.266 0.000 1.447 4140 H CB 0.975 30.841 29.762 0.173 0.000 1.493 4140 H HN 0.610 nan 8.280 nan 0.000 0.619 4141 G N -2.177 106.831 108.800 0.346 0.000 2.753 4141 G HA2 0.476 4.435 3.960 -0.001 0.000 0.285 4141 G HA3 0.476 4.435 3.960 -0.001 0.000 0.285 4141 G C 0.214 175.378 174.900 0.440 0.000 1.344 4141 G CA -0.787 44.509 45.100 0.326 0.000 1.050 4141 G HN 1.146 nan 8.290 nan 0.000 0.532 4142 G N -2.588 106.387 108.800 0.292 0.000 2.321 4142 G HA2 0.411 4.370 3.960 -0.001 0.000 0.219 4142 G HA3 0.411 4.370 3.960 -0.001 0.000 0.219 4142 G C 0.980 175.959 174.900 0.132 0.000 1.057 4142 G CA 0.705 45.918 45.100 0.189 0.000 0.849 4142 G HN 2.300 nan 8.290 nan 0.000 0.520 4143 G N 0.143 109.014 108.800 0.119 0.000 2.296 4143 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.282 4143 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.282 4143 G C 1.243 176.135 174.900 -0.013 0.000 1.014 4143 G CA 0.736 45.862 45.100 0.043 0.000 0.812 4143 G HN 1.753 nan 8.290 nan 0.000 0.508 4144 L N -3.697 117.548 121.223 0.038 0.000 4.739 4144 L HA -0.332 4.007 4.340 -0.001 0.000 0.437 4144 L C 2.227 179.151 176.870 0.091 0.000 1.117 4144 L CA 1.810 56.662 54.840 0.021 0.000 0.970 4144 L CB -1.271 40.511 42.059 -0.462 0.000 1.965 4144 L HN 0.470 nan 8.230 nan 0.000 0.872 4145 M N -1.443 118.202 119.600 0.076 0.000 2.730 4145 M HA 0.291 4.770 4.480 -0.001 0.000 0.258 4145 M C 0.902 177.267 176.300 0.109 0.000 1.279 4145 M CA 1.350 56.710 55.300 0.101 0.000 1.183 4145 M CB 0.261 32.904 32.600 0.072 0.000 1.291 4145 M HN 0.256 nan 8.290 nan 0.000 0.518 4146 V N -2.408 117.555 119.914 0.082 0.000 3.156 4146 V HA 1.033 5.152 4.120 -0.001 0.000 0.310 4146 V C -0.411 175.699 176.094 0.026 0.000 1.234 4146 V CA -0.167 62.152 62.300 0.032 0.000 1.065 4146 V CB 1.367 33.191 31.823 0.001 0.000 1.088 4146 V HN 0.556 nan 8.190 nan 0.000 0.451 4147 G N -0.584 108.162 108.800 -0.091 0.000 2.525 4147 G HA2 0.585 4.545 3.960 -0.001 0.000 0.685 4147 G HA3 0.585 4.545 3.960 -0.001 0.000 0.685 4147 G C -0.665 173.866 174.900 -0.616 0.000 1.285 4147 G CA -0.112 44.823 45.100 -0.275 0.000 0.849 4147 G HN 2.538 nan 8.290 nan 0.000 0.653 4148 A N -0.251 122.115 122.820 -0.757 0.000 2.566 4148 A HA 1.076 5.395 4.320 -0.001 0.000 0.292 4148 A C 0.856 178.339 177.584 -0.168 0.000 1.112 4148 A CA 0.455 52.211 52.037 -0.468 0.000 0.707 4148 A CB 1.186 20.058 19.000 -0.214 0.000 1.302 4148 A HN 2.530 nan 8.150 nan 0.000 0.409 4149 A N 0.052 122.954 122.820 0.135 0.000 1.935 4149 A HA 0.163 4.482 4.320 -0.001 0.000 0.214 4149 A C 1.883 179.637 177.584 0.283 0.000 1.178 4149 A CA 1.965 54.216 52.037 0.356 0.000 0.640 4149 A CB -0.687 18.530 19.000 0.362 0.000 0.825 4149 A HN 0.958 nan 8.150 nan 0.000 0.447 4150 S N 0.149 115.926 115.700 0.129 0.000 2.537 4150 S HA -0.077 4.392 4.470 -0.001 0.000 0.240 4150 S C 1.647 176.155 174.600 -0.152 0.000 0.981 4150 S CA 1.357 59.565 58.200 0.014 0.000 0.948 4150 S CB -0.404 62.723 63.200 -0.123 0.000 0.759 4150 S HN 0.686 nan 8.310 nan 0.000 0.531 4151 T N 0.836 115.300 114.554 -0.151 0.000 2.951 4151 T HA 0.014 4.363 4.350 -0.001 0.000 0.268 4151 T C -0.066 174.289 174.700 -0.575 0.000 1.073 4151 T CA 0.916 62.773 62.100 -0.404 0.000 1.134 4151 T CB -0.148 68.392 68.868 -0.545 0.000 0.884 4151 T HN 0.372 nan 8.240 nan 0.000 0.479 4152 Y N 1.363 121.495 120.300 -0.280 0.000 2.341 4152 Y HA 0.539 5.088 4.550 -0.001 0.000 0.337 4152 Y C -0.066 175.612 175.900 -0.370 0.000 1.014 4152 Y CA -2.405 55.370 58.100 -0.542 0.000 1.111 4152 Y CB 0.677 38.508 38.460 -1.047 0.000 1.194 4152 Y HN -0.129 nan 8.280 nan 0.000 0.462 4153 D N 1.593 121.845 120.400 -0.247 0.000 2.233 4153 D HA 0.274 4.914 4.640 -0.001 0.000 0.240 4153 D C 0.768 176.809 176.300 -0.432 0.000 1.074 4153 D CA -0.399 53.438 54.000 -0.272 0.000 0.838 4153 D CB 1.787 42.532 40.800 -0.092 0.000 1.124 4153 D HN 0.839 nan 8.370 nan 0.000 0.475 4154 G N 3.028 111.046 108.800 -1.304 0.000 3.141 4154 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.218 4154 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.218 4154 G C 1.350 176.021 174.900 -0.380 0.000 1.170 4154 G CA -0.102 44.525 45.100 -0.788 0.000 0.769 4154 G HN 0.491 nan 8.290 nan 0.000 0.546 4155 L N 1.220 122.294 121.223 -0.249 0.000 1.990 4155 L HA -0.045 4.294 4.340 -0.001 0.000 0.213 4155 L C 3.020 179.866 176.870 -0.040 0.000 1.072 4155 L CA 2.459 57.313 54.840 0.023 0.000 0.755 4155 L CB -0.337 41.773 42.059 0.084 0.000 0.889 4155 L HN 0.224 nan 8.230 nan 0.000 0.432 4156 A N -0.917 121.889 122.820 -0.023 0.000 1.832 4156 A HA -0.198 4.121 4.320 -0.001 0.000 0.214 4156 A C 2.198 179.764 177.584 -0.029 0.000 1.200 4156 A CA 1.783 53.825 52.037 0.008 0.000 0.610 4156 A CB -1.201 17.862 19.000 0.104 0.000 0.842 4156 A HN 0.436 nan 8.150 nan 0.000 0.444 4157 L N -0.016 121.163 121.223 -0.073 0.000 1.978 4157 L HA -0.239 4.100 4.340 -0.001 0.000 0.218 4157 L C 2.745 179.584 176.870 -0.052 0.000 1.075 4157 L CA 2.665 57.440 54.840 -0.109 0.000 0.767 4157 L CB -1.081 40.856 42.059 -0.204 0.000 0.890 4157 L HN 0.432 nan 8.230 nan 0.000 0.434 4158 A N -0.683 122.122 122.820 -0.025 0.000 1.849 4158 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 4158 A C 2.456 180.011 177.584 -0.048 0.000 1.202 4158 A CA 2.858 54.906 52.037 0.018 0.000 0.629 4158 A CB -1.532 17.529 19.000 0.101 0.000 0.834 4158 A HN 0.665 nan 8.150 nan 0.000 0.447 4159 A N -1.594 121.130 122.820 -0.161 0.000 1.892 4159 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 4159 A C 2.122 179.458 177.584 -0.413 0.000 1.188 4159 A CA 1.857 53.649 52.037 -0.408 0.000 0.631 4159 A CB -1.059 17.471 19.000 -0.784 0.000 0.822 4159 A HN 0.705 nan 8.150 nan 0.000 0.447 4160 H N -0.602 118.272 119.070 -0.327 0.000 2.389 4160 H HA -0.021 4.535 4.556 -0.001 0.000 0.299 4160 H C 0.879 176.181 175.328 -0.042 0.000 1.081 4160 H CA 1.591 57.553 56.048 -0.145 0.000 1.345 4160 H CB 0.238 29.841 29.762 -0.265 0.000 1.393 4160 H HN 0.494 nan 8.280 nan 0.000 0.520 4161 E N 0.287 120.523 120.200 0.061 0.000 2.603 4161 E HA -0.001 4.348 4.350 -0.001 0.000 0.211 4161 E C -0.209 176.417 176.600 0.043 0.000 0.995 4161 E CA -0.402 56.028 56.400 0.049 0.000 0.990 4161 E CB -0.126 29.589 29.700 0.025 0.000 1.036 4161 E HN 0.271 nan 8.360 nan 0.000 0.475 4162 N N 1.030 119.754 118.700 0.040 0.000 2.642 4162 N HA -0.187 4.552 4.740 -0.001 0.000 0.269 4162 N C -1.003 174.537 175.510 0.051 0.000 1.073 4162 N CA 0.779 53.858 53.050 0.048 0.000 0.748 4162 N CB -1.040 37.482 38.487 0.059 0.000 0.894 4162 N HN 0.098 nan 8.380 nan 0.000 0.548 4163 V N -2.381 117.566 119.914 0.054 0.000 3.114 4163 V HA 0.747 4.866 4.120 -0.001 0.000 0.308 4163 V C 0.185 176.339 176.094 0.100 0.000 1.168 4163 V CA -1.135 61.203 62.300 0.064 0.000 1.015 4163 V CB 2.230 34.077 31.823 0.040 0.000 1.050 4163 V HN -0.069 nan 8.190 nan 0.000 0.433 4164 V N 2.834 122.821 119.914 0.121 0.000 2.385 4164 V HA 0.393 4.512 4.120 -0.001 0.000 0.269 4164 V C 0.125 176.341 176.094 0.202 0.000 1.043 4164 V CA -0.243 62.156 62.300 0.163 0.000 0.906 4164 V CB 1.262 33.180 31.823 0.157 0.000 0.995 4164 V HN 0.721 nan 8.190 nan 0.000 0.467 4165 V N 6.455 126.528 119.914 0.264 0.000 2.407 4165 V HA 0.452 4.571 4.120 -0.001 0.000 0.278 4165 V C -0.073 176.273 176.094 0.420 0.000 1.037 4165 V CA -0.367 62.139 62.300 0.343 0.000 0.900 4165 V CB 1.777 33.782 31.823 0.304 0.000 0.983 4165 V HN 0.588 nan 8.190 nan 0.000 0.459 4166 V N 4.268 124.412 119.914 0.383 0.000 2.483 4166 V HA 0.495 4.614 4.120 -0.001 0.000 0.297 4166 V C 0.096 176.400 176.094 0.349 0.000 1.027 4166 V CA -0.535 61.952 62.300 0.312 0.000 0.855 4166 V CB 2.383 34.325 31.823 0.198 0.000 0.995 4166 V HN 0.990 nan 8.190 nan 0.000 0.424 4167 T N 3.783 118.556 114.554 0.365 0.000 2.771 4167 T HA 0.818 5.167 4.350 -0.001 0.000 0.281 4167 T C -0.413 174.453 174.700 0.276 0.000 0.982 4167 T CA -0.500 61.821 62.100 0.369 0.000 0.978 4167 T CB 1.285 70.406 68.868 0.422 0.000 0.930 4167 T HN 0.638 nan 8.240 nan 0.000 0.447 4168 I N 0.071 120.784 120.570 0.237 0.000 2.910 4168 I HA 0.655 4.824 4.170 -0.001 0.000 0.310 4168 I C -0.551 175.780 176.117 0.357 0.000 1.043 4168 I CA -1.287 60.143 61.300 0.216 0.000 1.053 4168 I CB 1.988 39.998 38.000 0.017 0.000 1.242 4168 I HN 0.542 nan 8.210 nan 0.000 0.452 4169 Q N 2.250 122.318 119.800 0.446 0.000 2.359 4169 Q HA 0.586 4.925 4.340 -0.001 0.000 0.275 4169 Q C -1.865 174.418 176.000 0.472 0.000 1.082 4169 Q CA -0.816 55.228 55.803 0.401 0.000 0.849 4169 Q CB 2.832 31.744 28.738 0.289 0.000 1.377 4169 Q HN 0.764 nan 8.270 nan 0.000 0.452 4170 Y N -3.120 117.307 120.300 0.211 0.000 2.565 4170 Y HA 0.440 4.989 4.550 -0.001 0.000 0.330 4170 Y C -1.104 174.862 175.900 0.110 0.000 1.150 4170 Y CA -1.368 56.826 58.100 0.157 0.000 1.055 4170 Y CB 0.721 39.247 38.460 0.109 0.000 1.337 4170 Y HN 0.431 nan 8.280 nan 0.000 0.457 4171 R N 3.163 123.721 120.500 0.096 0.000 2.488 4171 R HA 0.227 4.566 4.340 -0.001 0.000 0.317 4171 R C -0.631 175.721 176.300 0.087 0.000 0.941 4171 R CA 0.322 56.445 56.100 0.039 0.000 1.076 4171 R CB -0.050 30.290 30.300 0.066 0.000 0.917 4171 R HN 0.641 nan 8.270 nan 0.000 0.407 4172 L N 1.914 123.214 121.223 0.129 0.000 2.376 4172 L HA 0.476 4.815 4.340 -0.001 0.000 0.267 4172 L C 1.576 178.726 176.870 0.466 0.000 1.035 4172 L CA -0.377 54.655 54.840 0.321 0.000 0.800 4172 L CB 0.703 42.852 42.059 0.151 0.000 1.290 4172 L HN 0.855 nan 8.230 nan 0.000 0.462 4173 G N 0.260 109.350 108.800 0.483 0.000 2.602 4173 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.317 4173 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.317 4173 G C 0.875 176.058 174.900 0.471 0.000 1.327 4173 G CA 0.638 45.982 45.100 0.407 0.000 0.971 4173 G HN 0.666 nan 8.290 nan 0.000 0.540 4174 I N -0.760 120.040 120.570 0.385 0.000 2.087 4174 I HA -0.259 3.910 4.170 -0.001 0.000 0.240 4174 I C 2.867 179.228 176.117 0.407 0.000 1.054 4174 I CA 2.727 64.196 61.300 0.281 0.000 1.311 4174 I CB -0.458 37.474 38.000 -0.114 0.000 1.024 4174 I HN 0.604 nan 8.210 nan 0.000 0.402 4175 W N 0.711 122.156 121.300 0.243 0.000 2.292 4175 W HA -0.205 4.454 4.660 -0.002 0.000 0.304 4175 W C 2.281 178.861 176.519 0.102 0.000 1.228 4175 W CA 1.399 58.764 57.345 0.033 0.000 1.241 4175 W CB -0.941 28.471 29.460 -0.080 0.000 1.142 4175 W HN 0.310 nan 8.180 nan 0.000 0.520 4176 G N -2.914 106.095 108.800 0.349 0.000 3.044 4176 G HA2 0.122 4.081 3.960 -0.001 0.000 0.223 4176 G HA3 0.122 4.081 3.960 -0.001 0.000 0.223 4176 G C 0.553 175.133 174.900 -0.533 0.000 1.123 4176 G CA -0.058 45.012 45.100 -0.049 0.000 0.765 4176 G HN 0.128 nan 8.290 nan 0.000 0.546 4177 F N -0.911 119.309 119.950 0.450 0.000 2.899 4177 F HA 0.410 4.936 4.527 -0.002 0.000 0.337 4177 F C 0.207 176.142 175.800 0.225 0.000 1.129 4177 F CA -1.721 56.410 58.000 0.218 0.000 1.128 4177 F CB 0.207 39.246 39.000 0.064 0.000 1.154 4177 F HN 0.001 nan 8.300 nan 0.000 0.531 4178 F N 1.972 122.160 119.950 0.396 0.000 2.578 4178 F HA 0.368 4.895 4.527 -0.001 0.000 0.376 4178 F C 0.502 176.414 175.800 0.186 0.000 1.085 4178 F CA 0.465 58.593 58.000 0.213 0.000 1.260 4178 F CB 0.481 39.505 39.000 0.039 0.000 1.095 4178 F HN -0.086 nan 8.300 nan 0.000 0.573 4179 S N 3.240 118.512 115.700 -0.714 0.000 2.541 4179 S HA 0.401 4.871 4.470 -0.001 0.000 0.280 4179 S C 0.233 174.434 174.600 -0.666 0.000 1.112 4179 S CA -0.070 57.831 58.200 -0.498 0.000 0.925 4179 S CB 1.503 64.546 63.200 -0.262 0.000 1.067 4179 S HN 0.803 nan 8.310 nan 0.000 0.479 4180 T N 0.394 114.728 114.554 -0.368 0.000 3.054 4180 T HA 0.453 4.803 4.350 -0.001 0.000 0.255 4180 T C 1.426 176.059 174.700 -0.111 0.000 1.035 4180 T CA 0.608 62.571 62.100 -0.229 0.000 0.941 4180 T CB 0.191 69.027 68.868 -0.054 0.000 1.026 4180 T HN 1.699 nan 8.240 nan 0.000 0.533 4181 G N 2.147 110.878 108.800 -0.115 0.000 2.253 4181 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.251 4181 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.251 4181 G C -0.166 174.705 174.900 -0.049 0.000 0.998 4181 G CA 0.391 45.445 45.100 -0.076 0.000 0.621 4181 G HN 0.894 nan 8.290 nan 0.000 0.524 4182 D N -1.098 119.286 120.400 -0.027 0.000 2.758 4182 D HA 0.527 5.167 4.640 -0.001 0.000 0.262 4182 D C 1.365 177.646 176.300 -0.031 0.000 1.113 4182 D CA 0.032 54.012 54.000 -0.034 0.000 1.114 4182 D CB -0.151 40.630 40.800 -0.033 0.000 1.363 4182 D HN 0.100 nan 8.370 nan 0.000 0.617 4183 E N -0.436 119.698 120.200 -0.110 0.000 2.418 4183 E HA -0.200 4.149 4.350 -0.001 0.000 0.197 4183 E C 0.714 177.298 176.600 -0.026 0.000 1.026 4183 E CA 1.001 57.348 56.400 -0.090 0.000 0.862 4183 E CB -0.564 29.044 29.700 -0.154 0.000 0.799 4183 E HN 0.493 nan 8.360 nan 0.000 0.518 4184 H N 0.658 119.785 119.070 0.095 0.000 2.563 4184 H HA 0.175 4.730 4.556 -0.001 0.000 0.272 4184 H C 0.178 175.611 175.328 0.176 0.000 1.005 4184 H CA 0.949 57.065 56.048 0.113 0.000 1.171 4184 H CB 0.343 30.154 29.762 0.082 0.000 1.351 4184 H HN 0.146 nan 8.280 nan 0.000 0.602 4185 S N -0.393 115.504 115.700 0.329 0.000 3.015 4185 S HA 0.093 4.563 4.470 -0.001 0.000 0.135 4185 S C 0.827 175.650 174.600 0.372 0.000 0.774 4185 S CA -0.566 57.934 58.200 0.499 0.000 0.845 4185 S CB -0.178 63.269 63.200 0.412 0.000 1.565 4185 S HN 0.216 nan 8.310 nan 0.000 0.576 4186 R N 1.559 122.217 120.500 0.264 0.000 2.132 4186 R HA 0.192 4.531 4.340 -0.001 0.000 0.233 4186 R C 1.418 177.521 176.300 -0.329 0.000 1.125 4186 R CA 1.882 57.929 56.100 -0.087 0.000 0.914 4186 R CB -0.435 29.772 30.300 -0.155 0.000 0.845 4186 R HN 0.992 nan 8.270 nan 0.000 0.431 4187 G N -2.084 106.135 108.800 -0.967 0.000 2.343 4187 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.465 4187 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.465 4187 G C -0.996 173.209 174.900 -1.158 0.000 1.282 4187 G CA -0.386 44.083 45.100 -1.052 0.000 0.996 4187 G HN 0.285 nan 8.290 nan 0.000 0.521 4188 N N -1.244 117.108 118.700 -0.580 0.000 2.776 4188 N HA -0.194 4.545 4.740 -0.001 0.000 0.250 4188 N C 1.188 176.500 175.510 -0.330 0.000 1.112 4188 N CA 1.880 54.802 53.050 -0.214 0.000 0.733 4188 N CB -1.576 36.878 38.487 -0.055 0.000 1.097 4188 N HN 0.715 nan 8.380 nan 0.000 0.558 4189 W N 0.768 121.979 121.300 -0.149 0.000 2.335 4189 W HA -0.119 4.540 4.660 -0.001 0.000 0.311 4189 W C 2.527 178.921 176.519 -0.207 0.000 1.213 4189 W CA 0.911 58.179 57.345 -0.127 0.000 1.274 4189 W CB -0.750 28.660 29.460 -0.084 0.000 1.148 4189 W HN 0.296 nan 8.180 nan 0.000 0.498 4190 G N 0.009 108.551 108.800 -0.430 0.000 2.476 4190 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.218 4190 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.218 4190 G C 1.238 176.142 174.900 0.007 0.000 1.164 4190 G CA 1.533 46.488 45.100 -0.242 0.000 0.768 4190 G HN 0.282 nan 8.290 nan 0.000 0.560 4191 H N 0.456 119.556 119.070 0.049 0.000 2.353 4191 H HA 0.045 4.600 4.556 -0.001 0.000 0.300 4191 H C 2.795 178.136 175.328 0.021 0.000 1.090 4191 H CA 1.003 57.059 56.048 0.013 0.000 1.327 4191 H CB -0.509 29.276 29.762 0.038 0.000 1.383 4191 H HN 0.250 nan 8.280 nan 0.000 0.508 4192 L N 0.549 121.882 121.223 0.182 0.000 2.079 4192 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 4192 L C 2.118 179.103 176.870 0.191 0.000 1.081 4192 L CA 1.220 56.161 54.840 0.168 0.000 0.752 4192 L CB -0.348 41.832 42.059 0.202 0.000 0.896 4192 L HN 0.180 nan 8.230 nan 0.000 0.433 4193 D N -0.145 120.393 120.400 0.229 0.000 2.117 4193 D HA -0.193 4.446 4.640 -0.001 0.000 0.197 4193 D C 2.293 178.747 176.300 0.255 0.000 0.987 4193 D CA 1.150 55.352 54.000 0.336 0.000 0.829 4193 D CB -0.202 40.829 40.800 0.384 0.000 0.961 4193 D HN 0.453 nan 8.370 nan 0.000 0.460 4194 Q N 0.320 120.191 119.800 0.119 0.000 2.096 4194 Q HA -0.109 4.230 4.340 -0.001 0.000 0.204 4194 Q C 2.429 178.400 176.000 -0.050 0.000 0.982 4194 Q CA 0.944 56.723 55.803 -0.039 0.000 0.850 4194 Q CB -0.086 28.573 28.738 -0.131 0.000 0.901 4194 Q HN 0.162 nan 8.270 nan 0.000 0.422 4195 V N 1.029 120.958 119.914 0.024 0.000 2.358 4195 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 4195 V C 2.317 178.446 176.094 0.058 0.000 1.047 4195 V CA 1.700 64.022 62.300 0.037 0.000 1.035 4195 V CB -0.967 30.893 31.823 0.062 0.000 0.658 4195 V HN 0.413 nan 8.190 nan 0.000 0.452 4196 A N 0.042 122.936 122.820 0.123 0.000 1.940 4196 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 4196 A C 2.392 180.044 177.584 0.112 0.000 1.176 4196 A CA 2.298 54.456 52.037 0.201 0.000 0.631 4196 A CB -0.729 18.483 19.000 0.353 0.000 0.814 4196 A HN 0.587 nan 8.150 nan 0.000 0.446 4197 A N -0.543 122.115 122.820 -0.269 0.000 1.929 4197 A HA 0.050 4.369 4.320 -0.001 0.000 0.216 4197 A C 2.144 179.626 177.584 -0.170 0.000 1.176 4197 A CA 1.277 52.859 52.037 -0.758 0.000 0.628 4197 A CB -0.520 17.643 19.000 -1.395 0.000 0.816 4197 A HN 0.462 nan 8.150 nan 0.000 0.444 4198 L N -1.277 119.894 121.223 -0.086 0.000 2.079 4198 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 4198 L C 2.841 179.758 176.870 0.079 0.000 1.081 4198 L CA 1.689 56.540 54.840 0.019 0.000 0.752 4198 L CB -0.350 41.726 42.059 0.028 0.000 0.896 4198 L HN 0.423 nan 8.230 nan 0.000 0.433 4199 R N -0.893 119.662 120.500 0.092 0.000 2.073 4199 R HA -0.215 4.125 4.340 -0.001 0.000 0.229 4199 R C 2.183 178.562 176.300 0.131 0.000 1.120 4199 R CA 1.524 57.681 56.100 0.095 0.000 0.967 4199 R CB -0.392 29.967 30.300 0.098 0.000 0.862 4199 R HN 0.377 nan 8.270 nan 0.000 0.436 4200 W N 0.413 121.722 121.300 0.015 0.000 2.321 4200 W HA -0.259 4.400 4.660 -0.001 0.000 0.306 4200 W C 1.528 178.058 176.519 0.019 0.000 1.217 4200 W CA 1.554 58.922 57.345 0.039 0.000 1.257 4200 W CB -0.195 29.319 29.460 0.091 0.000 1.145 4200 W HN -0.134 nan 8.180 nan 0.000 0.509 4201 V N 0.965 121.123 119.914 0.407 0.000 2.407 4201 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 4201 V C 2.498 178.597 176.094 0.009 0.000 1.055 4201 V CA 2.006 64.462 62.300 0.261 0.000 1.049 4201 V CB -1.052 30.930 31.823 0.264 0.000 0.662 4201 V HN 0.234 nan 8.190 nan 0.000 0.455 4202 Q N -0.076 119.725 119.800 0.002 0.000 2.170 4202 Q HA -0.174 4.165 4.340 -0.001 0.000 0.203 4202 Q C 1.732 177.669 176.000 -0.105 0.000 0.976 4202 Q CA 1.485 57.270 55.803 -0.029 0.000 0.858 4202 Q CB -0.312 28.417 28.738 -0.015 0.000 0.907 4202 Q HN 0.693 nan 8.270 nan 0.000 0.433 4203 D N -1.000 119.275 120.400 -0.208 0.000 2.379 4203 D HA 0.067 4.707 4.640 -0.001 0.000 0.208 4203 D C 0.885 176.958 176.300 -0.379 0.000 1.065 4203 D CA 0.100 53.943 54.000 -0.262 0.000 0.848 4203 D CB 0.383 41.023 40.800 -0.265 0.000 0.949 4203 D HN 0.244 nan 8.370 nan 0.000 0.509 4204 N N 0.288 118.674 118.700 -0.524 0.000 2.529 4204 N HA 0.007 4.746 4.740 -0.001 0.000 0.231 4204 N C 1.749 177.156 175.510 -0.171 0.000 1.072 4204 N CA -0.216 52.492 53.050 -0.571 0.000 0.854 4204 N CB 0.644 38.278 38.487 -1.421 0.000 1.465 4204 N HN -0.043 nan 8.380 nan 0.000 0.452 4205 I N 2.875 123.405 120.570 -0.066 0.000 2.300 4205 I HA -0.238 3.931 4.170 -0.001 0.000 0.252 4205 I C 2.191 178.399 176.117 0.152 0.000 1.119 4205 I CA 0.772 62.181 61.300 0.181 0.000 1.384 4205 I CB -0.371 37.720 38.000 0.152 0.000 1.062 4205 I HN 0.119 nan 8.210 nan 0.000 0.426 4206 A N -0.539 122.298 122.820 0.027 0.000 1.940 4206 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 4206 A C 2.316 179.885 177.584 -0.026 0.000 1.176 4206 A CA 2.028 54.066 52.037 0.001 0.000 0.631 4206 A CB -1.117 17.858 19.000 -0.041 0.000 0.814 4206 A HN 0.593 nan 8.150 nan 0.000 0.446 4207 S N -2.272 113.371 115.700 -0.096 0.000 2.701 4207 S HA 0.220 4.690 4.470 -0.001 0.000 0.220 4207 S C 0.619 174.987 174.600 -0.387 0.000 0.954 4207 S CA 0.169 58.227 58.200 -0.237 0.000 0.936 4207 S CB -0.593 62.404 63.200 -0.338 0.000 0.777 4207 S HN 0.390 nan 8.310 nan 0.000 0.518 4208 F N 1.036 120.946 119.950 -0.067 0.000 2.688 4208 F HA 0.457 4.983 4.527 -0.001 0.000 0.310 4208 F C 1.648 177.452 175.800 0.007 0.000 1.098 4208 F CA -0.022 57.941 58.000 -0.061 0.000 1.228 4208 F CB 0.910 39.866 39.000 -0.073 0.000 1.042 4208 F HN 0.367 nan 8.300 nan 0.000 0.557 4209 G N 0.516 109.398 108.800 0.137 0.000 2.141 4209 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.231 4209 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.231 4209 G C 0.483 175.452 174.900 0.115 0.000 0.984 4209 G CA -0.245 44.925 45.100 0.118 0.000 0.660 4209 G HN 0.699 nan 8.290 nan 0.000 0.525 4210 G N -0.593 108.283 108.800 0.126 0.000 2.552 4210 G HA2 0.569 4.528 3.960 -0.001 0.000 0.318 4210 G HA3 0.569 4.528 3.960 -0.001 0.000 0.318 4210 G C -0.524 174.416 174.900 0.067 0.000 1.240 4210 G CA -0.136 45.028 45.100 0.106 0.000 1.002 4210 G HN 0.775 nan 8.290 nan 0.000 0.493 4211 N N 0.041 118.774 118.700 0.056 0.000 2.573 4211 N HA 0.353 5.093 4.740 -0.001 0.000 0.262 4211 N C -1.498 174.037 175.510 0.042 0.000 1.029 4211 N CA -2.065 51.001 53.050 0.027 0.000 0.882 4211 N CB 2.360 40.848 38.487 0.000 0.000 1.204 4211 N HN 0.066 nan 8.380 nan 0.000 0.519 4212 P HA -0.054 nan 4.420 nan 0.000 0.224 4212 P C 0.853 178.244 177.300 0.152 0.000 1.142 4212 P CA 0.826 63.976 63.100 0.083 0.000 0.778 4212 P CB 0.107 31.829 31.700 0.036 0.000 0.764 4213 G N -1.103 107.723 108.800 0.044 0.000 3.141 4213 G HA2 0.043 4.002 3.960 -0.001 0.000 0.218 4213 G HA3 0.043 4.002 3.960 -0.001 0.000 0.218 4213 G C 0.366 174.920 174.900 -0.575 0.000 1.170 4213 G CA 0.105 45.144 45.100 -0.102 0.000 0.769 4213 G HN 0.357 nan 8.290 nan 0.000 0.546 4214 S N 0.027 115.623 115.700 -0.174 0.000 2.386 4214 S HA 0.462 4.932 4.470 -0.001 0.000 0.152 4214 S C -1.136 173.565 174.600 0.169 0.000 1.511 4214 S CA -0.385 57.744 58.200 -0.119 0.000 1.246 4214 S CB 0.499 63.627 63.200 -0.120 0.000 1.338 4214 S HN -0.047 nan 8.310 nan 0.000 0.409 4215 V N 3.661 123.848 119.914 0.455 0.000 2.409 4215 V HA 0.539 4.658 4.120 -0.001 0.000 0.291 4215 V C 0.072 176.305 176.094 0.232 0.000 1.020 4215 V CA -0.479 61.982 62.300 0.267 0.000 0.848 4215 V CB 1.860 33.817 31.823 0.223 0.000 0.990 4215 V HN 0.696 nan 8.190 nan 0.000 0.430 4216 T N 6.529 121.182 114.554 0.165 0.000 2.771 4216 T HA 0.607 4.956 4.350 -0.001 0.000 0.281 4216 T C -0.101 174.718 174.700 0.198 0.000 0.982 4216 T CA -0.145 62.041 62.100 0.143 0.000 0.978 4216 T CB 0.803 69.691 68.868 0.033 0.000 0.930 4216 T HN 0.628 nan 8.240 nan 0.000 0.447 4217 I N 1.729 122.389 120.570 0.149 0.000 2.392 4217 I HA 0.874 5.043 4.170 -0.001 0.000 0.295 4217 I C -0.920 175.368 176.117 0.285 0.000 0.985 4217 I CA -1.020 60.361 61.300 0.135 0.000 1.221 4217 I CB 0.944 38.802 38.000 -0.237 0.000 1.366 4217 I HN 0.495 nan 8.210 nan 0.000 0.467 4218 F N 3.068 123.015 119.950 -0.006 0.000 2.654 4218 F HA 1.005 5.531 4.527 -0.001 0.000 0.308 4218 F C -0.444 175.201 175.800 -0.258 0.000 1.108 4218 F CA -1.296 56.720 58.000 0.028 0.000 0.957 4218 F CB 1.210 40.380 39.000 0.282 0.000 1.309 4218 F HN 0.848 nan 8.300 nan 0.000 0.446 4219 G N 0.537 109.050 108.800 -0.477 0.000 2.559 4219 G HA2 0.492 4.452 3.960 -0.001 0.000 0.291 4219 G HA3 0.492 4.452 3.960 -0.001 0.000 0.291 4219 G C -2.495 172.053 174.900 -0.587 0.000 1.424 4219 G CA -0.798 43.524 45.100 -1.297 0.000 0.786 4219 G HN 0.862 nan 8.290 nan 0.000 0.485 4220 E N 0.171 120.062 120.200 -0.515 0.000 2.212 4220 E HA 0.597 4.946 4.350 -0.001 0.000 0.268 4220 E C 0.717 177.353 176.600 0.060 0.000 0.902 4220 E CA 0.328 56.722 56.400 -0.009 0.000 0.779 4220 E CB 2.091 31.927 29.700 0.226 0.000 1.172 4220 E HN 0.856 nan 8.360 nan 0.000 0.409 4221 S N 2.998 118.789 115.700 0.152 0.000 4.139 4221 S HA -0.408 4.062 4.470 -0.001 0.000 0.603 4221 S C 1.506 176.209 174.600 0.171 0.000 1.897 4221 S CA 2.216 60.590 58.200 0.289 0.000 4.241 4221 S CB -1.591 61.890 63.200 0.467 0.000 0.221 4221 S HN 0.939 nan 8.310 nan 0.000 0.488 4222 A N 1.195 124.109 122.820 0.158 0.000 2.024 4222 A HA 0.133 4.452 4.320 -0.001 0.000 0.220 4222 A C 2.460 180.035 177.584 -0.016 0.000 1.164 4222 A CA 2.496 54.573 52.037 0.067 0.000 0.643 4222 A CB -1.579 17.468 19.000 0.079 0.000 0.806 4222 A HN 1.548 nan 8.150 nan 0.000 0.451 4223 G N -0.594 108.165 108.800 -0.068 0.000 2.394 4223 G HA2 0.087 4.046 3.960 -0.001 0.000 0.214 4223 G HA3 0.087 4.046 3.960 -0.001 0.000 0.214 4223 G C 1.536 176.297 174.900 -0.232 0.000 1.176 4223 G CA 1.103 46.043 45.100 -0.266 0.000 0.786 4223 G HN 0.657 nan 8.290 nan 0.000 0.533 4224 G N 0.456 109.181 108.800 -0.127 0.000 2.421 4224 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 4224 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 4224 G C 1.564 176.445 174.900 -0.033 0.000 1.171 4224 G CA 1.226 46.295 45.100 -0.052 0.000 0.775 4224 G HN 0.430 nan 8.290 nan 0.000 0.543 4225 E N 0.876 121.068 120.200 -0.013 0.000 2.070 4225 E HA -0.161 4.189 4.350 -0.001 0.000 0.197 4225 E C 2.653 179.210 176.600 -0.072 0.000 1.004 4225 E CA 1.527 57.914 56.400 -0.022 0.000 0.805 4225 E CB -0.368 29.327 29.700 -0.008 0.000 0.744 4225 E HN 0.351 nan 8.360 nan 0.000 0.451 4226 S N 0.050 115.702 115.700 -0.081 0.000 2.370 4226 S HA -0.140 4.329 4.470 -0.001 0.000 0.226 4226 S C 2.139 176.601 174.600 -0.229 0.000 1.033 4226 S CA 1.227 59.356 58.200 -0.119 0.000 1.011 4226 S CB -0.264 62.857 63.200 -0.132 0.000 0.852 4226 S HN 0.152 nan 8.310 nan 0.000 0.457 4227 V N 1.321 121.104 119.914 -0.219 0.000 2.295 4227 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 4227 V C 2.603 178.552 176.094 -0.242 0.000 1.049 4227 V CA 2.014 64.153 62.300 -0.269 0.000 1.024 4227 V CB -0.914 30.804 31.823 -0.176 0.000 0.648 4227 V HN 0.593 nan 8.190 nan 0.000 0.447 4228 S N -0.532 115.110 115.700 -0.096 0.000 2.383 4228 S HA -0.181 4.288 4.470 -0.001 0.000 0.229 4228 S C 1.916 176.444 174.600 -0.121 0.000 1.030 4228 S CA 2.000 60.181 58.200 -0.032 0.000 1.002 4228 S CB -0.215 63.027 63.200 0.069 0.000 0.829 4228 S HN 0.338 nan 8.310 nan 0.000 0.467 4229 V N 1.978 121.787 119.914 -0.175 0.000 2.323 4229 V HA -0.070 4.049 4.120 -0.001 0.000 0.244 4229 V C 2.426 178.401 176.094 -0.198 0.000 1.041 4229 V CA 1.701 63.870 62.300 -0.220 0.000 1.025 4229 V CB -0.694 30.894 31.823 -0.391 0.000 0.656 4229 V HN 0.486 nan 8.190 nan 0.000 0.451 4230 L N -0.217 120.864 121.223 -0.237 0.000 2.079 4230 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 4230 L C 2.484 179.374 176.870 0.034 0.000 1.081 4230 L CA 1.130 55.883 54.840 -0.146 0.000 0.752 4230 L CB -0.804 41.078 42.059 -0.296 0.000 0.896 4230 L HN 0.211 nan 8.230 nan 0.000 0.433 4231 V N 0.211 120.099 119.914 -0.042 0.000 2.568 4231 V HA -0.253 3.866 4.120 -0.001 0.000 0.253 4231 V C 2.072 178.210 176.094 0.073 0.000 1.072 4231 V CA 1.514 63.872 62.300 0.097 0.000 1.084 4231 V CB -0.254 31.424 31.823 -0.241 0.000 0.676 4231 V HN 0.413 nan 8.190 nan 0.000 0.469 4232 L N -1.305 119.926 121.223 0.013 0.000 2.616 4232 L HA 0.222 4.561 4.340 -0.001 0.000 0.229 4232 L C 1.109 177.996 176.870 0.029 0.000 1.110 4232 L CA 0.085 54.937 54.840 0.021 0.000 0.884 4232 L CB 0.285 42.336 42.059 -0.014 0.000 1.115 4232 L HN 0.195 nan 8.230 nan 0.000 0.481 4233 S N 0.092 115.806 115.700 0.023 0.000 2.562 4233 S HA 0.283 4.753 4.470 -0.001 0.000 0.275 4233 S C -1.664 172.963 174.600 0.045 0.000 1.281 4233 S CA -1.264 56.946 58.200 0.018 0.000 1.045 4233 S CB 1.412 64.603 63.200 -0.015 0.000 0.962 4233 S HN -0.126 nan 8.310 nan 0.000 0.503 4234 P HA 0.034 nan 4.420 nan 0.000 0.218 4234 P C 1.383 178.688 177.300 0.009 0.000 1.152 4234 P CA 0.766 63.883 63.100 0.029 0.000 0.826 4234 P CB 0.045 31.755 31.700 0.016 0.000 0.790 4235 L N -0.887 120.344 121.223 0.012 0.000 2.081 4235 L HA -0.194 4.145 4.340 -0.001 0.000 0.212 4235 L C 2.200 179.082 176.870 0.019 0.000 1.080 4235 L CA 1.724 56.573 54.840 0.015 0.000 0.754 4235 L CB -1.068 41.005 42.059 0.024 0.000 0.893 4235 L HN -0.018 nan 8.230 nan 0.000 0.433 4236 A N -0.853 121.990 122.820 0.039 0.000 2.218 4236 A HA 0.004 4.323 4.320 -0.001 0.000 0.209 4236 A C 0.937 178.501 177.584 -0.033 0.000 1.168 4236 A CA -0.102 51.985 52.037 0.083 0.000 0.804 4236 A CB -0.190 18.950 19.000 0.233 0.000 0.834 4236 A HN 0.181 nan 8.150 nan 0.000 0.482 4237 K N 1.570 121.918 120.400 -0.088 0.000 2.511 4237 K HA -0.084 4.235 4.320 -0.001 0.000 0.277 4237 K C -0.124 176.280 176.600 -0.327 0.000 1.025 4237 K CA 0.556 56.712 56.287 -0.219 0.000 1.112 4237 K CB -0.051 32.406 32.500 -0.073 0.000 0.859 4237 K HN 0.471 nan 8.250 nan 0.000 0.485 4238 N N 1.670 120.000 118.700 -0.616 0.000 2.741 4238 N HA -0.229 4.510 4.740 -0.001 0.000 0.250 4238 N C 0.069 175.339 175.510 -0.400 0.000 1.115 4238 N CA 0.807 53.543 53.050 -0.524 0.000 0.724 4238 N CB -0.928 37.392 38.487 -0.277 0.000 1.090 4238 N HN 0.546 nan 8.380 nan 0.000 0.558 4239 L N -1.233 119.750 121.223 -0.401 0.000 2.638 4239 L HA 0.241 4.580 4.340 -0.001 0.000 0.232 4239 L C 0.311 177.115 176.870 -0.109 0.000 1.099 4239 L CA 0.278 55.023 54.840 -0.159 0.000 0.883 4239 L CB 0.116 42.193 42.059 0.031 0.000 1.136 4239 L HN 0.154 nan 8.230 nan 0.000 0.492 4240 F N -4.442 115.274 119.950 -0.390 0.000 2.645 4240 F HA 0.467 4.993 4.527 -0.001 0.000 0.310 4240 F C 0.578 176.055 175.800 -0.537 0.000 1.102 4240 F CA -0.971 56.803 58.000 -0.375 0.000 0.952 4240 F CB 0.748 39.650 39.000 -0.164 0.000 1.326 4240 F HN -0.124 nan 8.300 nan 0.000 0.456 4241 H N 0.161 119.256 119.070 0.041 0.000 2.874 4241 H HA 0.412 4.967 4.556 -0.001 0.000 0.264 4241 H C -0.279 175.049 175.328 0.002 0.000 1.007 4241 H CA 0.034 56.048 56.048 -0.057 0.000 1.207 4241 H CB 0.718 30.442 29.762 -0.062 0.000 1.487 4241 H HN 0.520 nan 8.280 nan 0.000 0.505 4242 R N 0.146 120.769 120.500 0.205 0.000 2.734 4242 R HA 0.752 5.091 4.340 -0.001 0.000 0.271 4242 R C -1.398 175.071 176.300 0.283 0.000 1.021 4242 R CA -0.885 55.282 56.100 0.112 0.000 0.893 4242 R CB 2.402 32.552 30.300 -0.250 0.000 1.244 4242 R HN 0.073 nan 8.270 nan 0.000 0.464 4243 A N 1.469 124.523 122.820 0.389 0.000 2.574 4243 A HA 0.752 5.072 4.320 -0.001 0.000 0.297 4243 A C -1.369 176.465 177.584 0.417 0.000 1.062 4243 A CA -0.699 51.511 52.037 0.288 0.000 0.686 4243 A CB 1.518 20.524 19.000 0.009 0.000 1.285 4243 A HN 0.603 nan 8.150 nan 0.000 0.403 4244 I N 1.253 121.993 120.570 0.283 0.000 2.512 4244 I HA 0.343 4.512 4.170 -0.001 0.000 0.287 4244 I C -0.187 176.051 176.117 0.202 0.000 1.069 4244 I CA -0.318 61.081 61.300 0.166 0.000 1.056 4244 I CB 2.341 40.357 38.000 0.027 0.000 1.229 4244 I HN 0.492 nan 8.210 nan 0.000 0.429 4245 S N 4.995 120.761 115.700 0.111 0.000 2.442 4245 S HA 0.398 4.867 4.470 -0.001 0.000 0.297 4245 S C -0.509 174.129 174.600 0.064 0.000 1.131 4245 S CA -0.589 57.654 58.200 0.072 0.000 1.092 4245 S CB 1.041 64.254 63.200 0.022 0.000 0.998 4245 S HN 0.474 nan 8.310 nan 0.000 0.478 4246 E N 1.728 122.006 120.200 0.131 0.000 2.141 4246 E HA 0.348 4.697 4.350 -0.001 0.000 0.259 4246 E C -0.410 176.252 176.600 0.103 0.000 0.883 4246 E CA -0.514 56.003 56.400 0.195 0.000 0.744 4246 E CB 1.234 31.140 29.700 0.344 0.000 1.150 4246 E HN 0.627 nan 8.360 nan 0.000 0.420 4247 S N 1.555 117.287 115.700 0.054 0.000 3.641 4247 S HA -0.165 4.304 4.470 -0.001 0.000 0.346 4247 S C 0.057 174.820 174.600 0.271 0.000 1.074 4247 S CA 0.657 58.884 58.200 0.045 0.000 1.026 4247 S CB -1.032 62.088 63.200 -0.133 0.000 0.908 4247 S HN 0.852 nan 8.310 nan 0.000 0.479 4248 G N -0.626 108.307 108.800 0.223 0.000 2.716 4248 G HA2 0.593 4.552 3.960 -0.001 0.000 0.299 4248 G HA3 0.593 4.552 3.960 -0.001 0.000 0.299 4248 G C -0.939 174.013 174.900 0.087 0.000 1.450 4248 G CA 0.098 45.333 45.100 0.225 0.000 0.968 4248 G HN 1.357 nan 8.290 nan 0.000 0.566 4249 V N -1.039 118.901 119.914 0.044 0.000 3.188 4249 V HA 0.874 4.994 4.120 -0.001 0.000 0.305 4249 V C 1.039 177.116 176.094 -0.029 0.000 1.232 4249 V CA -0.160 62.145 62.300 0.008 0.000 1.043 4249 V CB 1.312 33.124 31.823 -0.018 0.000 1.068 4249 V HN 1.930 nan 8.190 nan 0.000 0.439 4250 A N 0.726 123.529 122.820 -0.028 0.000 2.225 4250 A HA 0.189 4.508 4.320 -0.001 0.000 0.215 4250 A C 1.390 178.924 177.584 -0.082 0.000 1.164 4250 A CA 1.402 53.402 52.037 -0.061 0.000 0.710 4250 A CB -0.653 18.313 19.000 -0.058 0.000 0.780 4250 A HN 0.878 nan 8.150 nan 0.000 0.473 4251 L N -0.205 120.967 121.223 -0.085 0.000 2.741 4251 L HA 0.084 4.423 4.340 -0.001 0.000 0.237 4251 L C 0.142 176.908 176.870 -0.174 0.000 1.178 4251 L CA -0.087 54.681 54.840 -0.119 0.000 0.973 4251 L CB 0.225 42.226 42.059 -0.096 0.000 1.255 4251 L HN 0.072 nan 8.230 nan 0.000 0.498 4252 T N 0.178 114.623 114.554 -0.182 0.000 3.455 4252 T HA 0.043 4.392 4.350 -0.001 0.000 0.286 4252 T C 1.471 176.011 174.700 -0.266 0.000 1.157 4252 T CA 0.240 62.181 62.100 -0.265 0.000 1.090 4252 T CB 0.323 69.036 68.868 -0.258 0.000 1.112 4252 T HN 0.452 nan 8.240 nan 0.000 0.779 4253 S N 2.303 117.830 115.700 -0.289 0.000 2.615 4253 S HA -0.269 4.200 4.470 -0.001 0.000 0.330 4253 S C 2.051 176.502 174.600 -0.249 0.000 1.300 4253 S CA 1.910 59.939 58.200 -0.286 0.000 1.166 4253 S CB -1.135 61.859 63.200 -0.343 0.000 1.246 4253 S HN 0.530 nan 8.310 nan 0.000 0.442 4254 V N 1.895 121.658 119.914 -0.251 0.000 2.515 4254 V HA 0.045 4.164 4.120 -0.001 0.000 0.250 4254 V C 2.082 178.073 176.094 -0.171 0.000 1.058 4254 V CA 1.727 63.905 62.300 -0.202 0.000 1.064 4254 V CB -0.533 31.181 31.823 -0.182 0.000 0.675 4254 V HN 0.602 nan 8.190 nan 0.000 0.461 4255 L N -0.081 121.041 121.223 -0.168 0.000 2.465 4255 L HA 0.075 4.414 4.340 -0.001 0.000 0.224 4255 L C 0.427 177.207 176.870 -0.151 0.000 1.145 4255 L CA 0.286 55.033 54.840 -0.156 0.000 0.834 4255 L CB 0.078 42.063 42.059 -0.124 0.000 0.944 4255 L HN 0.166 nan 8.230 nan 0.000 0.451 4256 V N 1.021 120.849 119.914 -0.144 0.000 2.378 4256 V HA 0.237 4.356 4.120 -0.001 0.000 0.288 4256 V C -0.094 175.926 176.094 -0.123 0.000 1.016 4256 V CA -0.958 61.269 62.300 -0.123 0.000 0.840 4256 V CB 1.532 33.286 31.823 -0.116 0.000 0.994 4256 V HN 0.011 nan 8.190 nan 0.000 0.431 4257 K N 4.682 125.018 120.400 -0.107 0.000 2.316 4257 K HA 0.474 4.793 4.320 -0.001 0.000 0.289 4257 K C -0.384 176.164 176.600 -0.088 0.000 1.070 4257 K CA -0.188 56.040 56.287 -0.098 0.000 0.928 4257 K CB 1.235 33.681 32.500 -0.090 0.000 1.039 4257 K HN 0.558 nan 8.250 nan 0.000 0.480 4258 K N 0.547 120.894 120.400 -0.087 0.000 2.259 4258 K HA 0.644 4.963 4.320 -0.001 0.000 0.249 4258 K C 0.101 176.665 176.600 -0.060 0.000 0.942 4258 K CA -0.453 55.788 56.287 -0.075 0.000 0.816 4258 K CB 1.929 34.379 32.500 -0.084 0.000 1.155 4258 K HN 0.749 nan 8.250 nan 0.000 0.428 4259 G N 1.419 110.190 108.800 -0.050 0.000 2.582 4259 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.222 4259 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.222 4259 G C -1.278 173.600 174.900 -0.038 0.000 1.311 4259 G CA -0.762 44.316 45.100 -0.036 0.000 0.915 4259 G HN 0.672 nan 8.290 nan 0.000 0.528 4260 D N 0.665 121.048 120.400 -0.028 0.000 2.363 4260 D HA 0.251 4.890 4.640 -0.001 0.000 0.263 4260 D C 1.916 178.192 176.300 -0.039 0.000 1.258 4260 D CA 0.577 54.559 54.000 -0.031 0.000 0.907 4260 D CB 1.199 41.988 40.800 -0.018 0.000 1.107 4260 D HN 1.152 nan 8.370 nan 0.000 0.495 4261 V N 2.909 122.789 119.914 -0.058 0.000 3.235 4261 V HA -0.038 4.081 4.120 -0.001 0.000 0.259 4261 V C 2.207 178.252 176.094 -0.080 0.000 1.133 4261 V CA 0.783 63.038 62.300 -0.075 0.000 1.128 4261 V CB -0.252 31.507 31.823 -0.107 0.000 0.757 4261 V HN 0.311 nan 8.190 nan 0.000 0.469 4262 K N 2.165 122.524 120.400 -0.069 0.000 2.071 4262 K HA -0.161 4.158 4.320 -0.001 0.000 0.217 4262 K C -0.047 176.532 176.600 -0.035 0.000 1.054 4262 K CA 2.878 59.130 56.287 -0.058 0.000 0.937 4262 K CB -1.874 30.608 32.500 -0.029 0.000 0.719 4262 K HN 0.451 nan 8.250 nan 0.000 0.454 4263 P HA -0.203 nan 4.420 nan 0.000 0.216 4263 P C 1.438 178.747 177.300 0.015 0.000 1.154 4263 P CA 1.257 64.359 63.100 0.004 0.000 0.865 4263 P CB -0.038 31.666 31.700 0.007 0.000 0.789 4264 L N -1.275 119.951 121.223 0.006 0.000 2.056 4264 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 4264 L C 2.172 179.076 176.870 0.057 0.000 1.078 4264 L CA 1.743 56.606 54.840 0.038 0.000 0.749 4264 L CB -0.895 41.179 42.059 0.025 0.000 0.901 4264 L HN -0.040 nan 8.230 nan 0.000 0.433 4265 A N 0.085 122.894 122.820 -0.019 0.000 1.892 4265 A HA -0.287 4.032 4.320 -0.001 0.000 0.218 4265 A C 1.991 179.660 177.584 0.143 0.000 1.188 4265 A CA 2.079 54.116 52.037 0.000 0.000 0.631 4265 A CB -0.612 18.274 19.000 -0.191 0.000 0.822 4265 A HN 0.581 nan 8.150 nan 0.000 0.447 4266 E N -0.984 119.261 120.200 0.075 0.000 2.077 4266 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 4266 E C 2.261 178.905 176.600 0.074 0.000 0.989 4266 E CA 1.325 57.769 56.400 0.072 0.000 0.800 4266 E CB -0.185 29.540 29.700 0.042 0.000 0.746 4266 E HN 0.823 nan 8.360 nan 0.000 0.452 4267 Q N 0.812 120.657 119.800 0.074 0.000 2.135 4267 Q HA -0.184 4.155 4.340 -0.001 0.000 0.204 4267 Q C 2.093 178.143 176.000 0.083 0.000 0.981 4267 Q CA 1.312 57.155 55.803 0.068 0.000 0.856 4267 Q CB -0.009 28.771 28.738 0.069 0.000 0.902 4267 Q HN 0.314 nan 8.270 nan 0.000 0.425 4268 I N 0.259 120.915 120.570 0.145 0.000 2.252 4268 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 4268 I C 2.415 178.578 176.117 0.076 0.000 1.102 4268 I CA 0.854 62.249 61.300 0.159 0.000 1.385 4268 I CB -0.459 37.727 38.000 0.311 0.000 1.064 4268 I HN 0.293 nan 8.210 nan 0.000 0.414 4269 A N 1.293 124.166 122.820 0.089 0.000 1.873 4269 A HA -0.156 4.163 4.320 -0.001 0.000 0.215 4269 A C 2.284 179.871 177.584 0.006 0.000 1.186 4269 A CA 1.400 53.449 52.037 0.020 0.000 0.616 4269 A CB -0.827 18.202 19.000 0.049 0.000 0.823 4269 A HN 0.347 nan 8.150 nan 0.000 0.442 4270 I N -0.190 120.393 120.570 0.023 0.000 2.208 4270 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 4270 I C 2.584 178.700 176.117 -0.001 0.000 1.097 4270 I CA 1.850 63.156 61.300 0.010 0.000 1.363 4270 I CB -0.696 37.313 38.000 0.016 0.000 1.051 4270 I HN 0.271 nan 8.210 nan 0.000 0.413 4271 T N 0.715 115.269 114.554 0.000 0.000 2.708 4271 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 4271 T C 1.894 176.581 174.700 -0.022 0.000 1.037 4271 T CA 1.386 63.478 62.100 -0.014 0.000 1.146 4271 T CB -0.337 68.519 68.868 -0.020 0.000 0.865 4271 T HN 0.477 nan 8.240 nan 0.000 0.435 4272 A N 0.594 123.398 122.820 -0.028 0.000 2.248 4272 A HA 0.433 4.753 4.320 -0.001 0.000 0.210 4272 A C 1.738 179.298 177.584 -0.039 0.000 1.174 4272 A CA 0.834 52.845 52.037 -0.044 0.000 0.750 4272 A CB -1.076 17.878 19.000 -0.076 0.000 0.780 4272 A HN 0.872 nan 8.150 nan 0.000 0.478 4273 G N -1.845 106.938 108.800 -0.028 0.000 2.248 4273 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.263 4273 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.263 4273 G C -0.015 174.869 174.900 -0.028 0.000 1.082 4273 G CA 0.050 45.136 45.100 -0.024 0.000 0.863 4273 G HN 0.613 nan 8.290 nan 0.000 0.495 4274 c N -0.149 118.434 118.600 -0.027 0.000 2.595 4274 c HA 0.846 5.415 4.570 -0.001 0.000 0.338 4274 c C 0.489 174.573 174.090 -0.010 0.000 1.219 4274 c CA -1.187 55.126 56.329 -0.028 0.000 1.811 4274 c CB 1.967 44.451 42.510 -0.044 0.000 2.313 4274 c HN 0.482 nan 8.230 nan 0.000 0.499 4275 K N 1.036 121.433 120.400 -0.005 0.000 2.098 4275 K HA 0.413 4.732 4.320 -0.001 0.000 0.261 4275 K C 0.613 177.220 176.600 0.012 0.000 0.987 4275 K CA 0.049 56.338 56.287 0.004 0.000 0.916 4275 K CB 1.307 33.810 32.500 0.005 0.000 1.039 4275 K HN 0.876 nan 8.250 nan 0.000 0.455 4276 T N -1.837 112.726 114.554 0.016 0.000 3.248 4276 T HA 0.084 4.434 4.350 -0.001 0.000 0.271 4276 T C 0.979 175.690 174.700 0.019 0.000 1.005 4276 T CA -0.284 61.830 62.100 0.024 0.000 0.902 4276 T CB -0.126 68.759 68.868 0.028 0.000 1.102 4276 T HN 0.391 nan 8.240 nan 0.000 0.548 4277 T N 2.669 117.231 114.554 0.014 0.000 2.635 4277 T HA -0.053 4.296 4.350 -0.001 0.000 0.267 4277 T C 1.272 175.978 174.700 0.011 0.000 1.040 4277 T CA 1.971 64.077 62.100 0.010 0.000 1.156 4277 T CB -0.407 68.465 68.868 0.006 0.000 0.863 4277 T HN 0.836 nan 8.240 nan 0.000 0.430 4278 T N -2.365 112.193 114.554 0.006 0.000 2.804 4278 T HA 0.536 4.885 4.350 -0.001 0.000 0.290 4278 T C 1.056 175.760 174.700 0.007 0.000 1.099 4278 T CA -0.478 61.624 62.100 0.004 0.000 1.011 4278 T CB 1.743 70.596 68.868 -0.025 0.000 1.291 4278 T HN -0.160 nan 8.240 nan 0.000 0.523 4279 S N -0.215 115.497 115.700 0.020 0.000 2.371 4279 S HA 0.091 4.560 4.470 -0.001 0.000 0.224 4279 S C 2.367 176.948 174.600 -0.032 0.000 1.029 4279 S CA 1.088 59.319 58.200 0.052 0.000 0.978 4279 S CB -0.905 62.408 63.200 0.187 0.000 0.833 4279 S HN 0.867 nan 8.310 nan 0.000 0.466 4280 A N 0.728 123.389 122.820 -0.265 0.000 1.969 4280 A HA -0.004 4.315 4.320 -0.001 0.000 0.218 4280 A C 2.217 179.751 177.584 -0.083 0.000 1.169 4280 A CA 1.165 53.013 52.037 -0.314 0.000 0.635 4280 A CB -0.674 17.978 19.000 -0.581 0.000 0.810 4280 A HN 0.353 nan 8.150 nan 0.000 0.445 4281 V N -0.343 119.540 119.914 -0.053 0.000 2.515 4281 V HA -0.264 3.855 4.120 -0.001 0.000 0.250 4281 V C 2.550 178.663 176.094 0.033 0.000 1.058 4281 V CA 2.046 64.356 62.300 0.017 0.000 1.064 4281 V CB -0.597 31.229 31.823 0.005 0.000 0.675 4281 V HN 0.580 nan 8.190 nan 0.000 0.461 4282 M N -0.764 118.850 119.600 0.023 0.000 2.077 4282 M HA -0.135 4.344 4.480 -0.001 0.000 0.261 4282 M C 2.181 178.469 176.300 -0.021 0.000 1.070 4282 M CA 1.694 57.009 55.300 0.025 0.000 1.125 4282 M CB -0.359 32.297 32.600 0.094 0.000 1.339 4282 M HN 0.222 nan 8.290 nan 0.000 0.409 4283 V N -0.728 119.196 119.914 0.018 0.000 2.407 4283 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 4283 V C 2.229 178.334 176.094 0.018 0.000 1.055 4283 V CA 2.243 64.523 62.300 -0.032 0.000 1.049 4283 V CB -1.132 30.733 31.823 0.071 0.000 0.662 4283 V HN 0.491 nan 8.190 nan 0.000 0.455 4284 H N -0.525 118.522 119.070 -0.037 0.000 2.357 4284 H HA -0.169 4.386 4.556 -0.001 0.000 0.301 4284 H C 2.326 177.638 175.328 -0.028 0.000 1.082 4284 H CA 1.960 57.994 56.048 -0.023 0.000 1.342 4284 H CB -0.583 29.161 29.762 -0.031 0.000 1.389 4284 H HN 0.465 nan 8.280 nan 0.000 0.511 4285 c N -0.092 118.438 118.600 -0.117 0.000 2.440 4285 c HA -0.028 4.541 4.570 -0.001 0.000 0.278 4285 c C 2.697 176.686 174.090 -0.168 0.000 1.295 4285 c CA 0.718 56.946 56.329 -0.169 0.000 1.738 4285 c CB -1.444 41.016 42.510 -0.083 0.000 1.987 4285 c HN 0.630 nan 8.230 nan 0.000 0.492 4286 L N 0.190 121.320 121.223 -0.155 0.000 2.109 4286 L HA -0.038 4.301 4.340 -0.001 0.000 0.207 4286 L C 2.997 179.852 176.870 -0.025 0.000 1.086 4286 L CA 1.302 56.054 54.840 -0.146 0.000 0.760 4286 L CB -0.711 41.140 42.059 -0.346 0.000 0.910 4286 L HN 0.313 nan 8.230 nan 0.000 0.437 4287 R N -0.161 120.347 120.500 0.013 0.000 2.241 4287 R HA -0.158 4.182 4.340 -0.001 0.000 0.224 4287 R C 1.918 178.162 176.300 -0.094 0.000 1.101 4287 R CA 0.925 57.023 56.100 -0.004 0.000 0.995 4287 R CB -0.098 30.218 30.300 0.027 0.000 0.870 4287 R HN 0.526 nan 8.270 nan 0.000 0.463 4288 Q N -0.104 119.605 119.800 -0.152 0.000 2.408 4288 Q HA 0.049 4.389 4.340 -0.001 0.000 0.205 4288 Q C -0.049 175.895 176.000 -0.093 0.000 0.919 4288 Q CA 0.211 55.929 55.803 -0.140 0.000 0.932 4288 Q CB 0.534 29.147 28.738 -0.209 0.000 1.058 4288 Q HN -0.025 nan 8.270 nan 0.000 0.517 4289 K N 1.842 122.189 120.400 -0.089 0.000 2.319 4289 K HA 0.063 4.382 4.320 -0.001 0.000 0.265 4289 K C 0.462 177.044 176.600 -0.030 0.000 1.000 4289 K CA 0.190 56.439 56.287 -0.063 0.000 0.943 4289 K CB 0.513 32.965 32.500 -0.081 0.000 0.950 4289 K HN 0.135 nan 8.250 nan 0.000 0.485 4290 T N -2.525 112.028 114.554 -0.001 0.000 2.816 4290 T HA 0.081 4.430 4.350 -0.001 0.000 0.282 4290 T C 1.341 176.103 174.700 0.103 0.000 0.993 4290 T CA -0.631 61.489 62.100 0.034 0.000 0.994 4290 T CB 1.133 70.016 68.868 0.026 0.000 1.025 4290 T HN 0.614 nan 8.240 nan 0.000 0.529 4291 E N 0.188 120.474 120.200 0.143 0.000 2.023 4291 E HA -0.276 4.073 4.350 -0.001 0.000 0.196 4291 E C 1.905 178.668 176.600 0.272 0.000 1.003 4291 E CA 1.675 58.240 56.400 0.275 0.000 0.809 4291 E CB -0.189 29.579 29.700 0.113 0.000 0.755 4291 E HN 0.786 nan 8.360 nan 0.000 0.449 4292 E N 0.710 120.990 120.200 0.134 0.000 2.153 4292 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 4292 E C 1.768 178.428 176.600 0.100 0.000 0.988 4292 E CA 1.475 57.938 56.400 0.104 0.000 0.811 4292 E CB -0.034 29.697 29.700 0.051 0.000 0.746 4292 E HN 0.373 nan 8.360 nan 0.000 0.466 4293 E N -0.453 119.794 120.200 0.078 0.000 2.072 4293 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 4293 E C 2.032 178.658 176.600 0.042 0.000 0.985 4293 E CA 1.079 57.502 56.400 0.040 0.000 0.801 4293 E CB -0.074 29.631 29.700 0.008 0.000 0.750 4293 E HN 0.307 nan 8.360 nan 0.000 0.452 4294 L N 0.496 121.756 121.223 0.061 0.000 2.217 4294 L HA -0.134 4.205 4.340 -0.001 0.000 0.211 4294 L C 2.410 179.359 176.870 0.130 0.000 1.107 4294 L CA 0.134 54.952 54.840 -0.037 0.000 0.783 4294 L CB -0.185 41.668 42.059 -0.342 0.000 0.919 4294 L HN 0.205 nan 8.230 nan 0.000 0.442 4295 L N 0.111 121.538 121.223 0.340 0.000 2.056 4295 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 4295 L C 2.354 179.329 176.870 0.174 0.000 1.078 4295 L CA 1.728 56.782 54.840 0.356 0.000 0.749 4295 L CB -0.462 41.754 42.059 0.261 0.000 0.901 4295 L HN 0.209 nan 8.230 nan 0.000 0.433 4296 E N -1.173 119.091 120.200 0.107 0.000 2.204 4296 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 4296 E C 1.814 178.431 176.600 0.028 0.000 0.990 4296 E CA 1.571 58.002 56.400 0.052 0.000 0.821 4296 E CB -0.251 29.468 29.700 0.031 0.000 0.750 4296 E HN 0.570 nan 8.360 nan 0.000 0.477 4297 T N 0.641 115.214 114.554 0.031 0.000 2.770 4297 T HA -0.111 4.238 4.350 -0.001 0.000 0.263 4297 T C 2.086 176.779 174.700 -0.011 0.000 1.039 4297 T CA 1.612 63.710 62.100 -0.003 0.000 1.142 4297 T CB -0.453 68.409 68.868 -0.010 0.000 0.868 4297 T HN 0.185 nan 8.240 nan 0.000 0.435 4298 T N 3.029 117.642 114.554 0.097 0.000 2.720 4298 T HA -0.011 4.339 4.350 -0.001 0.000 0.268 4298 T C 1.957 176.659 174.700 0.004 0.000 1.037 4298 T CA 0.981 63.185 62.100 0.174 0.000 1.144 4298 T CB -0.559 68.535 68.868 0.376 0.000 0.864 4298 T HN 0.274 nan 8.240 nan 0.000 0.444 4299 L N 0.147 121.386 121.223 0.027 0.000 2.275 4299 L HA -0.011 4.328 4.340 -0.001 0.000 0.215 4299 L C 2.561 179.385 176.870 -0.075 0.000 1.119 4299 L CA 1.131 55.966 54.840 -0.009 0.000 0.790 4299 L CB -0.444 41.625 42.059 0.018 0.000 0.919 4299 L HN 0.240 nan 8.230 nan 0.000 0.443 4300 K N -0.653 119.684 120.400 -0.105 0.000 2.137 4300 K HA 0.019 4.338 4.320 -0.001 0.000 0.202 4300 K C 2.072 178.541 176.600 -0.219 0.000 1.052 4300 K CA 0.675 56.888 56.287 -0.123 0.000 0.961 4300 K CB 0.004 32.450 32.500 -0.090 0.000 0.741 4300 K HN 0.126 nan 8.250 nan 0.000 0.452 4301 M N 1.174 120.535 119.600 -0.397 0.000 2.346 4301 M HA -0.097 4.382 4.480 -0.001 0.000 0.263 4301 M C 0.245 176.197 176.300 -0.579 0.000 1.064 4301 M CA 1.196 56.087 55.300 -0.682 0.000 1.083 4301 M CB -0.855 30.725 32.600 -1.699 0.000 1.399 4301 M HN 0.099 nan 8.290 nan 0.000 0.435 4302 K N 0.333 120.498 120.400 -0.391 0.000 3.148 4302 K HA -0.180 4.139 4.320 -0.001 0.000 0.267 4302 K C -0.554 175.992 176.600 -0.090 0.000 0.996 4302 K CA 0.002 56.186 56.287 -0.172 0.000 0.737 4302 K CB -1.796 30.643 32.500 -0.101 0.000 1.308 4302 K HN 0.216 nan 8.250 nan 0.000 0.470 4303 F N 0.451 120.425 119.950 0.041 0.000 2.535 4303 F HA -0.031 4.496 4.527 -0.001 0.000 0.332 4303 F C 1.719 177.540 175.800 0.035 0.000 1.208 4303 F CA -0.485 57.540 58.000 0.042 0.000 1.330 4303 F CB 0.357 39.395 39.000 0.062 0.000 1.167 4303 F HN 0.053 nan 8.300 nan 0.000 0.597 4304 L N 0.393 121.764 121.223 0.246 0.000 4.351 4304 L HA -0.262 4.078 4.340 -0.001 0.000 0.410 4304 L C -0.246 176.685 176.870 0.102 0.000 1.150 4304 L CA 0.477 55.399 54.840 0.137 0.000 0.961 4304 L CB -2.952 39.178 42.059 0.119 0.000 2.130 4304 L HN 0.586 nan 8.230 nan 0.000 0.787 4305 S N -1.092 114.670 115.700 0.103 0.000 2.704 4305 S HA 0.848 5.317 4.470 -0.001 0.000 0.296 4305 S C -0.628 174.019 174.600 0.078 0.000 1.138 4305 S CA -0.691 57.555 58.200 0.077 0.000 0.875 4305 S CB 2.796 66.023 63.200 0.045 0.000 1.151 4305 S HN 0.119 nan 8.310 nan 0.000 0.500 4306 L N 2.677 123.935 121.223 0.059 0.000 2.283 4306 L HA 0.457 4.797 4.340 -0.001 0.000 0.281 4306 L C -0.886 175.971 176.870 -0.023 0.000 1.033 4306 L CA -0.356 54.496 54.840 0.021 0.000 0.848 4306 L CB 0.642 42.687 42.059 -0.023 0.000 1.226 4306 L HN 0.488 nan 8.230 nan 0.000 0.429 4307 D N 4.259 124.646 120.400 -0.022 0.000 2.349 4307 D HA 0.033 4.672 4.640 -0.001 0.000 0.266 4307 D C 0.920 177.188 176.300 -0.054 0.000 1.293 4307 D CA 0.387 54.367 54.000 -0.032 0.000 0.926 4307 D CB 0.733 41.517 40.800 -0.027 0.000 1.090 4307 D HN 0.591 nan 8.370 nan 0.000 0.502 4308 L N 2.482 123.675 121.223 -0.049 0.000 2.591 4308 L HA 0.065 4.404 4.340 -0.001 0.000 0.228 4308 L C 1.187 178.039 176.870 -0.031 0.000 1.133 4308 L CA 0.277 55.086 54.840 -0.052 0.000 0.880 4308 L CB -0.080 41.950 42.059 -0.048 0.000 1.033 4308 L HN 0.374 nan 8.230 nan 0.000 0.450 4309 Q N 0.481 120.265 119.800 -0.027 0.000 2.413 4309 Q HA 0.529 4.868 4.340 -0.001 0.000 0.276 4309 Q C -0.207 175.785 176.000 -0.015 0.000 1.099 4309 Q CA 0.371 56.166 55.803 -0.013 0.000 0.814 4309 Q CB 2.666 31.399 28.738 -0.009 0.000 1.379 4309 Q HN 0.194 nan 8.270 nan 0.000 0.436 4310 G N 2.854 111.654 108.800 -0.000 0.000 2.795 4310 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.664 4310 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.664 4310 G C -0.796 174.102 174.900 -0.004 0.000 1.381 4310 G CA -0.226 44.876 45.100 0.002 0.000 0.853 4310 G HN 0.693 nan 8.290 nan 0.000 0.545 4311 D N 0.871 121.274 120.400 0.006 0.000 2.412 4311 D HA 0.277 4.916 4.640 -0.001 0.000 0.257 4311 D C -0.494 175.750 176.300 -0.094 0.000 1.217 4311 D CA -1.306 52.694 54.000 -0.001 0.000 0.897 4311 D CB 1.031 41.847 40.800 0.026 0.000 1.132 4311 D HN 0.053 nan 8.370 nan 0.000 0.493 4312 P HA -0.092 nan 4.420 nan 0.000 0.221 4312 P C 0.960 178.148 177.300 -0.186 0.000 1.145 4312 P CA 0.938 63.814 63.100 -0.373 0.000 0.795 4312 P CB 0.222 31.359 31.700 -0.939 0.000 0.775 4313 R N -0.408 119.988 120.500 -0.173 0.000 2.276 4313 R HA -0.010 4.329 4.340 -0.001 0.000 0.203 4313 R C 1.628 177.979 176.300 0.085 0.000 1.017 4313 R CA 0.827 56.963 56.100 0.060 0.000 1.010 4313 R CB -0.246 30.045 30.300 -0.016 0.000 0.900 4313 R HN 0.434 nan 8.270 nan 0.000 0.469 4314 E N 0.733 120.950 120.200 0.028 0.000 2.201 4314 E HA 0.001 4.350 4.350 -0.001 0.000 0.193 4314 E C 0.323 176.942 176.600 0.031 0.000 0.957 4314 E CA 0.162 56.582 56.400 0.032 0.000 0.858 4314 E CB 0.228 29.941 29.700 0.021 0.000 0.816 4314 E HN 0.136 nan 8.360 nan 0.000 0.475 4315 S N 1.350 117.060 115.700 0.017 0.000 2.558 4315 S HA -0.012 4.457 4.470 -0.001 0.000 0.293 4315 S C 0.107 174.734 174.600 0.045 0.000 1.292 4315 S CA -0.246 57.969 58.200 0.025 0.000 1.063 4315 S CB 0.820 64.023 63.200 0.004 0.000 0.831 4315 S HN 0.028 nan 8.310 nan 0.000 0.499 4316 Q N 2.774 122.627 119.800 0.089 0.000 2.523 4316 Q HA 0.361 4.700 4.340 -0.001 0.000 0.251 4316 Q C -1.617 174.496 176.000 0.188 0.000 1.033 4316 Q CA -2.294 53.576 55.803 0.113 0.000 0.746 4316 Q CB 1.412 30.241 28.738 0.152 0.000 1.189 4316 Q HN 0.543 nan 8.270 nan 0.000 0.508 4317 P HA -0.136 nan 4.420 nan 0.000 0.222 4317 P C -0.414 176.982 177.300 0.159 0.000 1.142 4317 P CA 0.899 64.082 63.100 0.138 0.000 0.788 4317 P CB 0.160 31.896 31.700 0.060 0.000 0.767 4318 L N -5.785 115.454 121.223 0.027 0.000 3.002 4318 L HA 0.373 4.712 4.340 -0.001 0.000 0.267 4318 L C -1.461 175.207 176.870 -0.335 0.000 0.997 4318 L CA -1.152 53.545 54.840 -0.238 0.000 0.961 4318 L CB 0.369 42.338 42.059 -0.150 0.000 1.502 4318 L HN -0.360 nan 8.230 nan 0.000 0.408 4319 L N 1.703 122.637 121.223 -0.482 0.000 2.261 4319 L HA 0.793 5.132 4.340 -0.001 0.000 0.289 4319 L C 0.761 177.458 176.870 -0.289 0.000 1.059 4319 L CA 0.113 54.783 54.840 -0.283 0.000 0.816 4319 L CB 0.463 42.414 42.059 -0.180 0.000 1.191 4319 L HN 0.979 nan 8.230 nan 0.000 0.431 4320 G N 1.894 110.538 108.800 -0.261 0.000 3.107 4320 G HA2 0.436 4.395 3.960 -0.001 0.000 0.232 4320 G HA3 0.436 4.395 3.960 -0.001 0.000 0.232 4320 G C -0.450 174.306 174.900 -0.240 0.000 1.339 4320 G CA -0.438 44.431 45.100 -0.384 0.000 1.033 4320 G HN 0.379 nan 8.290 nan 0.000 0.567 4321 T N 0.170 114.622 114.554 -0.169 0.000 2.940 4321 T HA 0.384 4.734 4.350 -0.001 0.000 0.309 4321 T C 0.464 175.160 174.700 -0.007 0.000 1.056 4321 T CA 0.409 62.534 62.100 0.042 0.000 1.137 4321 T CB 0.933 69.846 68.868 0.074 0.000 0.976 4321 T HN 1.130 nan 8.240 nan 0.000 0.547 4322 V N 0.280 120.200 119.914 0.009 0.000 3.141 4322 V HA 0.657 4.776 4.120 -0.001 0.000 0.312 4322 V C -0.873 175.188 176.094 -0.056 0.000 1.157 4322 V CA -1.338 60.933 62.300 -0.048 0.000 1.041 4322 V CB 1.929 33.707 31.823 -0.075 0.000 1.071 4322 V HN 0.619 nan 8.190 nan 0.000 0.441 4323 I N 3.681 124.212 120.570 -0.066 0.000 2.282 4323 I HA 0.347 4.516 4.170 -0.001 0.000 0.290 4323 I C 0.745 176.820 176.117 -0.070 0.000 1.090 4323 I CA -0.040 61.223 61.300 -0.062 0.000 1.231 4323 I CB 0.119 38.086 38.000 -0.055 0.000 1.434 4323 I HN 0.963 nan 8.210 nan 0.000 0.487 4324 D N 3.894 124.246 120.400 -0.079 0.000 2.346 4324 D HA 0.022 4.661 4.640 -0.001 0.000 0.206 4324 D C 1.371 177.633 176.300 -0.062 0.000 1.001 4324 D CA 0.947 54.892 54.000 -0.091 0.000 0.871 4324 D CB 0.626 41.342 40.800 -0.139 0.000 0.943 4324 D HN 0.689 nan 8.370 nan 0.000 0.518 4325 G N 0.410 109.182 108.800 -0.047 0.000 2.199 4325 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.254 4325 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.254 4325 G C 1.001 175.888 174.900 -0.022 0.000 0.982 4325 G CA 0.625 45.707 45.100 -0.030 0.000 0.632 4325 G HN 0.265 nan 8.290 nan 0.000 0.529 4326 M N -1.293 118.290 119.600 -0.028 0.000 2.730 4326 M HA 0.482 4.961 4.480 -0.001 0.000 0.258 4326 M C 2.160 178.453 176.300 -0.012 0.000 1.279 4326 M CA 1.126 56.419 55.300 -0.013 0.000 1.183 4326 M CB -0.293 32.302 32.600 -0.008 0.000 1.291 4326 M HN 0.312 nan 8.290 nan 0.000 0.518 4327 L N -0.709 120.497 121.223 -0.028 0.000 2.547 4327 L HA 0.371 4.710 4.340 -0.001 0.000 0.218 4327 L C -0.209 176.639 176.870 -0.036 0.000 1.048 4327 L CA 0.521 55.344 54.840 -0.028 0.000 0.859 4327 L CB 0.887 42.925 42.059 -0.036 0.000 1.128 4327 L HN 0.016 nan 8.230 nan 0.000 0.483 4328 L N 0.977 122.175 121.223 -0.042 0.000 2.415 4328 L HA 0.292 4.631 4.340 -0.001 0.000 0.268 4328 L C 0.100 176.952 176.870 -0.030 0.000 0.984 4328 L CA -0.322 54.495 54.840 -0.039 0.000 0.853 4328 L CB 1.935 43.960 42.059 -0.057 0.000 1.215 4328 L HN 0.102 nan 8.230 nan 0.000 0.419 4329 L N 2.554 123.768 121.223 -0.015 0.000 2.599 4329 L HA 0.094 4.433 4.340 -0.001 0.000 0.230 4329 L C 0.400 177.262 176.870 -0.014 0.000 1.141 4329 L CA 0.608 55.442 54.840 -0.011 0.000 0.877 4329 L CB -0.593 41.469 42.059 0.005 0.000 1.009 4329 L HN 0.600 nan 8.230 nan 0.000 0.447 4330 K N -1.792 118.596 120.400 -0.019 0.000 2.642 4330 K HA 0.323 4.642 4.320 -0.001 0.000 0.290 4330 K C -0.448 176.132 176.600 -0.033 0.000 1.006 4330 K CA -0.813 55.460 56.287 -0.024 0.000 0.869 4330 K CB 0.491 32.981 32.500 -0.016 0.000 1.499 4330 K HN -0.114 nan 8.250 nan 0.000 0.403 4331 T N -1.557 112.973 114.554 -0.039 0.000 2.908 4331 T HA 0.054 4.403 4.350 -0.001 0.000 0.325 4331 T C -1.821 172.851 174.700 -0.046 0.000 1.092 4331 T CA -0.614 61.457 62.100 -0.049 0.000 1.125 4331 T CB 0.130 68.965 68.868 -0.054 0.000 1.016 4331 T HN 0.342 nan 8.240 nan 0.000 0.550 4332 P HA -0.062 nan 4.420 nan 0.000 0.216 4332 P C 1.343 178.620 177.300 -0.038 0.000 1.150 4332 P CA 1.003 64.076 63.100 -0.046 0.000 0.837 4332 P CB 0.017 31.683 31.700 -0.057 0.000 0.786 4333 E N -0.055 120.116 120.200 -0.048 0.000 2.085 4333 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 4333 E C 1.813 178.395 176.600 -0.031 0.000 0.994 4333 E CA 1.333 57.708 56.400 -0.042 0.000 0.801 4333 E CB -0.754 28.913 29.700 -0.055 0.000 0.743 4333 E HN 0.444 nan 8.360 nan 0.000 0.453 4334 E N -0.214 119.967 120.200 -0.032 0.000 2.299 4334 E HA 0.030 4.380 4.350 -0.001 0.000 0.193 4334 E C 1.811 178.395 176.600 -0.026 0.000 0.998 4334 E CA 0.114 56.498 56.400 -0.027 0.000 0.851 4334 E CB 0.107 29.791 29.700 -0.025 0.000 0.795 4334 E HN 0.208 nan 8.360 nan 0.000 0.492 4335 L N 1.069 122.277 121.223 -0.025 0.000 2.240 4335 L HA -0.137 4.203 4.340 -0.001 0.000 0.211 4335 L C 2.326 179.180 176.870 -0.027 0.000 1.106 4335 L CA 0.957 55.784 54.840 -0.022 0.000 0.793 4335 L CB -0.059 41.992 42.059 -0.014 0.000 0.927 4335 L HN 0.220 nan 8.230 nan 0.000 0.446 4336 Q N -1.267 118.522 119.800 -0.019 0.000 2.384 4336 Q HA 0.123 4.462 4.340 -0.001 0.000 0.207 4336 Q C 1.905 177.890 176.000 -0.024 0.000 0.904 4336 Q CA 0.610 56.407 55.803 -0.011 0.000 0.933 4336 Q CB 0.105 28.853 28.738 0.018 0.000 1.077 4336 Q HN 0.302 nan 8.270 nan 0.000 0.522 4337 A N 2.451 125.254 122.820 -0.028 0.000 1.823 4337 A HA -0.151 4.168 4.320 -0.001 0.000 0.214 4337 A C 0.590 178.145 177.584 -0.048 0.000 1.227 4337 A CA 1.044 53.063 52.037 -0.030 0.000 0.616 4337 A CB -0.736 18.248 19.000 -0.026 0.000 0.874 4337 A HN 0.544 nan 8.150 nan 0.000 0.455 4338 E N 0.328 120.492 120.200 -0.059 0.000 2.452 4338 E HA 0.300 4.649 4.350 -0.001 0.000 0.261 4338 E C 0.045 176.565 176.600 -0.133 0.000 0.987 4338 E CA -0.398 55.951 56.400 -0.084 0.000 0.926 4338 E CB 0.122 29.775 29.700 -0.079 0.000 0.934 4338 E HN 0.277 nan 8.360 nan 0.000 0.452 4339 R N 3.085 123.497 120.500 -0.146 0.000 2.473 4339 R HA 0.040 4.379 4.340 -0.001 0.000 0.315 4339 R C -0.484 175.602 176.300 -0.358 0.000 0.972 4339 R CA 0.265 56.249 56.100 -0.193 0.000 1.047 4339 R CB -0.349 29.860 30.300 -0.153 0.000 0.932 4339 R HN 0.551 nan 8.270 nan 0.000 0.411 4340 N N 3.022 121.490 118.700 -0.387 0.000 2.538 4340 N HA 0.209 4.948 4.740 -0.001 0.000 0.292 4340 N C 0.601 175.716 175.510 -0.659 0.000 1.262 4340 N CA -0.262 52.378 53.050 -0.684 0.000 0.976 4340 N CB 0.259 38.534 38.487 -0.354 0.000 1.161 4340 N HN 0.312 nan 8.380 nan 0.000 0.598 4341 F N -0.076 119.842 119.950 -0.054 0.000 2.140 4341 F HA 0.126 4.652 4.527 -0.001 0.000 0.278 4341 F C 1.312 177.014 175.800 -0.164 0.000 1.121 4341 F CA 0.405 58.336 58.000 -0.117 0.000 1.139 4341 F CB -0.667 38.259 39.000 -0.124 0.000 1.062 4341 F HN 0.251 nan 8.300 nan 0.000 0.501 4342 H N 1.894 121.068 119.070 0.173 0.000 3.089 4342 H HA 0.165 4.720 4.556 -0.001 0.000 0.262 4342 H C -0.236 175.102 175.328 0.017 0.000 1.160 4342 H CA 0.195 56.266 56.048 0.039 0.000 1.482 4342 H CB -0.025 29.714 29.762 -0.040 0.000 1.511 4342 H HN 0.145 nan 8.280 nan 0.000 0.483 4343 T N 1.673 116.301 114.554 0.124 0.000 2.929 4343 T HA 0.422 4.771 4.350 -0.001 0.000 0.331 4343 T C 0.425 175.225 174.700 0.168 0.000 1.120 4343 T CA -0.943 61.217 62.100 0.100 0.000 0.973 4343 T CB -0.074 68.756 68.868 -0.063 0.000 1.036 4343 T HN 0.270 nan 8.240 nan 0.000 0.502 4344 V N 0.601 120.663 119.914 0.246 0.000 2.713 4344 V HA 0.730 4.850 4.120 -0.001 0.000 0.307 4344 V C -2.932 173.378 176.094 0.360 0.000 1.052 4344 V CA -3.302 59.125 62.300 0.211 0.000 0.967 4344 V CB 1.034 32.929 31.823 0.119 0.000 1.019 4344 V HN 0.442 nan 8.190 nan 0.000 0.459 4345 P HA 0.114 nan 4.420 nan 0.000 0.263 4345 P C -1.328 176.339 177.300 0.612 0.000 1.195 4345 P CA 0.680 64.042 63.100 0.436 0.000 0.762 4345 P CB -0.222 31.600 31.700 0.203 0.000 0.799 4346 Y N 3.779 124.258 120.300 0.299 0.000 2.364 4346 Y HA 0.518 5.067 4.550 -0.001 0.000 0.340 4346 Y C -0.294 175.557 175.900 -0.081 0.000 0.975 4346 Y CA -1.445 56.643 58.100 -0.020 0.000 1.089 4346 Y CB 1.387 39.424 38.460 -0.705 0.000 1.192 4346 Y HN 0.192 nan 8.280 nan 0.000 0.454 4347 M N 7.563 127.076 119.600 -0.145 0.000 2.114 4347 M HA 0.427 4.906 4.480 -0.001 0.000 0.332 4347 M C -2.111 173.882 176.300 -0.511 0.000 1.014 4347 M CA -0.731 54.268 55.300 -0.502 0.000 0.956 4347 M CB 0.946 32.969 32.600 -0.963 0.000 1.551 4347 M HN 0.408 nan 8.290 nan 0.000 0.427 4348 V N 4.661 124.239 119.914 -0.560 0.000 2.409 4348 V HA 0.779 4.899 4.120 -0.001 0.000 0.291 4348 V C 0.360 176.102 176.094 -0.588 0.000 1.020 4348 V CA -0.534 61.419 62.300 -0.578 0.000 0.848 4348 V CB 1.460 32.882 31.823 -0.669 0.000 0.990 4348 V HN 0.983 nan 8.190 nan 0.000 0.430 4349 G N 4.472 112.865 108.800 -0.677 0.000 2.569 4349 G HA2 0.910 4.869 3.960 -0.001 0.000 0.300 4349 G HA3 0.910 4.869 3.960 -0.001 0.000 0.300 4349 G C -1.114 173.432 174.900 -0.590 0.000 1.269 4349 G CA -0.707 43.546 45.100 -1.412 0.000 0.959 4349 G HN 0.887 nan 8.290 nan 0.000 0.478 4350 I N -2.463 117.859 120.570 -0.414 0.000 3.095 4350 I HA 0.556 4.726 4.170 -0.001 0.000 0.310 4350 I C -1.090 175.123 176.117 0.161 0.000 1.196 4350 I CA -1.340 59.931 61.300 -0.049 0.000 0.985 4350 I CB 2.409 40.386 38.000 -0.038 0.000 1.250 4350 I HN 0.438 nan 8.210 nan 0.000 0.446 4351 N N 1.639 120.436 118.700 0.161 0.000 2.472 4351 N HA 0.277 5.016 4.740 -0.001 0.000 0.289 4351 N C 0.119 175.741 175.510 0.187 0.000 1.156 4351 N CA -0.870 52.334 53.050 0.257 0.000 0.940 4351 N CB 1.793 40.418 38.487 0.230 0.000 1.200 4351 N HN 0.523 nan 8.380 nan 0.000 0.511 4352 K N 0.679 121.196 120.400 0.195 0.000 2.074 4352 K HA -0.141 4.178 4.320 -0.001 0.000 0.209 4352 K C -0.038 176.650 176.600 0.147 0.000 1.048 4352 K CA 1.835 58.211 56.287 0.149 0.000 0.926 4352 K CB 0.096 32.669 32.500 0.122 0.000 0.713 4352 K HN 0.531 nan 8.250 nan 0.000 0.444 4353 Q N 0.199 120.094 119.800 0.158 0.000 2.798 4353 Q HA 0.128 4.467 4.340 -0.001 0.000 0.250 4353 Q C -0.193 175.914 176.000 0.179 0.000 1.006 4353 Q CA -0.324 55.579 55.803 0.167 0.000 0.759 4353 Q CB 1.550 30.383 28.738 0.159 0.000 1.201 4353 Q HN 0.123 nan 8.270 nan 0.000 0.486 4354 E N 0.630 120.931 120.200 0.168 0.000 2.106 4354 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 4354 E C 0.516 177.251 176.600 0.226 0.000 0.984 4354 E CA 1.129 57.602 56.400 0.123 0.000 0.806 4354 E CB 0.222 29.891 29.700 -0.052 0.000 0.750 4354 E HN 0.496 nan 8.360 nan 0.000 0.458 4355 F N 0.668 120.661 119.950 0.073 0.000 2.668 4355 F HA 0.249 4.775 4.527 -0.001 0.000 0.297 4355 F C 1.733 177.556 175.800 0.039 0.000 1.124 4355 F CA -0.292 57.719 58.000 0.019 0.000 1.353 4355 F CB 0.439 39.416 39.000 -0.038 0.000 0.992 4355 F HN -0.050 nan 8.300 nan 0.000 0.524 4356 G N 0.665 109.548 108.800 0.139 0.000 2.480 4356 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.216 4356 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.216 4356 G C 1.099 176.101 174.900 0.170 0.000 1.200 4356 G CA 1.596 46.790 45.100 0.157 0.000 0.782 4356 G HN 0.631 nan 8.290 nan 0.000 0.554 4357 W N -1.135 120.131 121.300 -0.058 0.000 5.070 4357 W HA 0.337 4.997 4.660 -0.001 0.000 0.176 4357 W C 1.909 178.372 176.519 -0.093 0.000 1.077 4357 W CA 0.226 57.532 57.345 -0.065 0.000 1.880 4357 W CB -0.500 28.962 29.460 0.002 0.000 0.615 4357 W HN 0.078 nan 8.180 nan 0.000 1.044 4358 L N 1.945 123.164 121.223 -0.006 0.000 1.971 4358 L HA -0.195 4.145 4.340 -0.001 0.000 0.215 4358 L C 2.173 178.823 176.870 -0.368 0.000 1.072 4358 L CA 2.879 57.589 54.840 -0.216 0.000 0.758 4358 L CB -1.050 41.164 42.059 0.258 0.000 0.889 4358 L HN 0.179 nan 8.230 nan 0.000 0.433 4359 I N -0.523 119.858 120.570 -0.316 0.000 2.099 4359 I HA -0.232 3.937 4.170 -0.001 0.000 0.239 4359 I C -0.212 175.588 176.117 -0.530 0.000 1.066 4359 I CA 1.539 62.611 61.300 -0.380 0.000 1.324 4359 I CB -1.849 35.933 38.000 -0.364 0.000 1.037 4359 I HN 0.267 nan 8.210 nan 0.000 0.401 4360 P HA -0.183 nan 4.420 nan 0.000 0.216 4360 P C 1.096 178.175 177.300 -0.368 0.000 1.150 4360 P CA 1.281 63.954 63.100 -0.711 0.000 0.843 4360 P CB -0.028 31.207 31.700 -0.774 0.000 0.787 4364 M N -0.608 118.963 119.600 -0.048 0.000 2.561 4364 M HA 0.206 4.686 4.480 -0.001 0.000 0.238 4364 M C 0.548 176.909 176.300 0.101 0.000 1.131 4364 M CA 0.281 55.623 55.300 0.069 0.000 1.046 4364 M CB 0.230 32.938 32.600 0.180 0.000 1.532 4364 M HN 0.213 nan 8.290 nan 0.000 0.497 4365 S N 0.565 116.294 115.700 0.048 0.000 3.783 4365 S HA -0.169 4.300 4.470 -0.001 0.000 0.360 4365 S C -0.340 174.324 174.600 0.108 0.000 1.006 4365 S CA 0.260 58.490 58.200 0.050 0.000 1.115 4365 S CB -1.826 61.389 63.200 0.025 0.000 0.893 4365 S HN 0.474 nan 8.310 nan 0.000 0.475 4366 Y N 1.476 121.765 120.300 -0.019 0.000 2.336 4366 Y HA 0.377 4.926 4.550 -0.001 0.000 0.331 4366 Y C -1.819 174.100 175.900 0.031 0.000 1.211 4366 Y CA -1.322 56.799 58.100 0.034 0.000 1.346 4366 Y CB 0.546 39.034 38.460 0.048 0.000 1.271 4366 Y HN 0.063 nan 8.280 nan 0.000 0.538 4367 P HA 0.281 nan 4.420 nan 0.000 0.226 4367 P C -0.748 176.616 177.300 0.107 0.000 1.832 4367 P CA 0.325 63.458 63.100 0.054 0.000 1.092 4367 P CB -0.140 31.549 31.700 -0.019 0.000 1.873 4368 L N 0.668 121.977 121.223 0.143 0.000 3.255 4368 L HA 0.125 4.464 4.340 -0.001 0.000 0.293 4368 L C 1.579 178.513 176.870 0.106 0.000 1.302 4368 L CA 0.026 54.952 54.840 0.143 0.000 0.977 4368 L CB 0.222 42.407 42.059 0.209 0.000 1.390 4368 L HN 0.152 nan 8.230 nan 0.000 0.588 4369 S N -1.320 114.427 115.700 0.080 0.000 2.383 4369 S HA -0.115 4.354 4.470 -0.001 0.000 0.227 4369 S C 1.503 176.142 174.600 0.064 0.000 1.026 4369 S CA 0.713 58.955 58.200 0.070 0.000 0.981 4369 S CB -0.019 63.214 63.200 0.054 0.000 0.818 4369 S HN 0.381 nan 8.310 nan 0.000 0.472 4370 E N 1.317 121.550 120.200 0.055 0.000 2.472 4370 E HA 0.064 4.413 4.350 -0.001 0.000 0.200 4370 E C 1.760 178.393 176.600 0.054 0.000 1.046 4370 E CA 0.664 57.092 56.400 0.046 0.000 0.871 4370 E CB -0.940 28.780 29.700 0.034 0.000 0.806 4370 E HN 0.747 nan 8.360 nan 0.000 0.533 4371 G N 1.648 110.491 108.800 0.071 0.000 2.238 4371 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.270 4371 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.270 4371 G C 0.357 175.301 174.900 0.074 0.000 0.977 4371 G CA 1.267 46.415 45.100 0.081 0.000 0.639 4371 G HN 0.446 nan 8.290 nan 0.000 0.544 4372 Q N -1.114 118.720 119.800 0.057 0.000 2.351 4372 Q HA 0.873 5.212 4.340 -0.001 0.000 0.273 4372 Q C -1.288 174.731 176.000 0.031 0.000 1.077 4372 Q CA -1.225 54.606 55.803 0.047 0.000 0.843 4372 Q CB 2.749 31.508 28.738 0.036 0.000 1.367 4372 Q HN 0.521 nan 8.270 nan 0.000 0.449 4373 L N 1.861 123.099 121.223 0.024 0.000 2.588 4373 L HA 0.312 4.651 4.340 -0.001 0.000 0.263 4373 L C -1.716 175.151 176.870 -0.004 0.000 0.935 4373 L CA -0.144 54.688 54.840 -0.014 0.000 0.891 4373 L CB 2.093 44.122 42.059 -0.050 0.000 1.318 4373 L HN 0.847 nan 8.230 nan 0.000 0.409 4374 D N 3.061 123.451 120.400 -0.017 0.000 2.326 4374 D HA 0.196 4.835 4.640 -0.001 0.000 0.251 4374 D C 0.111 176.406 176.300 -0.008 0.000 1.023 4374 D CA -0.575 53.425 54.000 -0.001 0.000 0.966 4374 D CB 1.346 42.147 40.800 0.001 0.000 1.156 4374 D HN 0.546 nan 8.370 nan 0.000 0.494 4375 Q N 0.000 119.809 119.800 0.014 0.000 2.152 4375 Q HA -0.211 4.128 4.340 -0.001 0.000 0.206 4375 Q C 1.901 177.909 176.000 0.014 0.000 0.985 4375 Q CA 1.499 57.316 55.803 0.025 0.000 0.863 4375 Q CB -0.064 28.696 28.738 0.036 0.000 0.904 4375 Q HN 0.549 nan 8.270 nan 0.000 0.422 4376 K N -0.016 120.387 120.400 0.004 0.000 2.057 4376 K HA -0.103 4.216 4.320 -0.001 0.000 0.206 4376 K C 2.001 178.597 176.600 -0.007 0.000 1.050 4376 K CA 1.477 57.766 56.287 0.002 0.000 0.935 4376 K CB 0.104 32.604 32.500 -0.000 0.000 0.715 4376 K HN 0.068 nan 8.250 nan 0.000 0.439 4377 T N 0.905 115.442 114.554 -0.028 0.000 2.701 4377 T HA -0.105 4.244 4.350 -0.001 0.000 0.263 4377 T C 1.880 176.518 174.700 -0.103 0.000 1.040 4377 T CA 1.352 63.419 62.100 -0.054 0.000 1.147 4377 T CB -0.364 68.464 68.868 -0.067 0.000 0.865 4377 T HN 0.410 nan 8.240 nan 0.000 0.426 4378 A N 1.728 124.448 122.820 -0.166 0.000 1.892 4378 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 4378 A C 2.379 179.948 177.584 -0.026 0.000 1.188 4378 A CA 1.957 53.812 52.037 -0.304 0.000 0.631 4378 A CB -0.847 18.039 19.000 -0.190 0.000 0.822 4378 A HN 0.455 nan 8.150 nan 0.000 0.447 4379 M N 0.245 119.878 119.600 0.054 0.000 2.073 4379 M HA -0.209 4.271 4.480 -0.001 0.000 0.258 4379 M C 2.568 178.970 176.300 0.169 0.000 1.070 4379 M CA 2.260 57.636 55.300 0.126 0.000 1.103 4379 M CB -0.594 32.051 32.600 0.076 0.000 1.321 4379 M HN 0.704 nan 8.290 nan 0.000 0.405 4380 S N 0.266 116.036 115.700 0.116 0.000 2.402 4380 S HA -0.085 4.384 4.470 -0.001 0.000 0.229 4380 S C 1.786 176.502 174.600 0.194 0.000 1.021 4380 S CA 0.941 59.245 58.200 0.174 0.000 0.974 4380 S CB -0.775 62.487 63.200 0.103 0.000 0.800 4380 S HN 0.469 nan 8.310 nan 0.000 0.484 4381 L N -0.012 121.277 121.223 0.110 0.000 2.131 4381 L HA 0.110 4.450 4.340 -0.001 0.000 0.206 4381 L C 2.500 179.560 176.870 0.318 0.000 1.087 4381 L CA 0.624 55.534 54.840 0.116 0.000 0.767 4381 L CB -0.405 41.640 42.059 -0.022 0.000 0.917 4381 L HN 0.324 nan 8.230 nan 0.000 0.441 4382 L N -0.740 120.746 121.223 0.437 0.000 2.217 4382 L HA -0.202 4.137 4.340 -0.001 0.000 0.211 4382 L C 2.086 179.189 176.870 0.389 0.000 1.107 4382 L CA 1.542 56.673 54.840 0.485 0.000 0.783 4382 L CB -0.671 41.692 42.059 0.507 0.000 0.919 4382 L HN 0.342 nan 8.230 nan 0.000 0.442 4383 W N 0.464 121.862 121.300 0.163 0.000 2.378 4383 W HA -0.209 4.451 4.660 -0.001 0.000 0.313 4383 W C 1.951 178.541 176.519 0.119 0.000 1.197 4383 W CA 0.821 58.234 57.345 0.115 0.000 1.304 4383 W CB 0.056 29.547 29.460 0.052 0.000 1.148 4383 W HN 0.024 nan 8.180 nan 0.000 0.494 4384 K N 0.831 121.192 120.400 -0.065 0.000 2.152 4384 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 4384 K C 1.755 178.275 176.600 -0.133 0.000 1.048 4384 K CA 1.734 57.891 56.287 -0.216 0.000 0.933 4384 K CB -1.005 31.433 32.500 -0.103 0.000 0.721 4384 K HN 0.220 nan 8.250 nan 0.000 0.447 4385 S N 0.111 115.818 115.700 0.010 0.000 2.803 4385 S HA -0.016 4.453 4.470 -0.001 0.000 0.228 4385 S C 1.436 176.060 174.600 0.039 0.000 0.953 4385 S CA -0.407 57.833 58.200 0.067 0.000 0.983 4385 S CB -0.467 62.861 63.200 0.213 0.000 0.784 4385 S HN 0.231 nan 8.310 nan 0.000 0.498 4386 Y N 4.010 124.206 120.300 -0.173 0.000 2.181 4386 Y HA -0.097 4.452 4.550 -0.002 0.000 0.284 4386 Y C -0.948 174.877 175.900 -0.126 0.000 1.179 4386 Y CA 1.485 59.481 58.100 -0.173 0.000 1.179 4386 Y CB -1.287 36.940 38.460 -0.389 0.000 0.973 4386 Y HN 0.299 nan 8.280 nan 0.000 0.519 4387 P HA -0.138 nan 4.420 nan 0.000 0.225 4387 P C 1.217 178.396 177.300 -0.202 0.000 1.148 4387 P CA 1.553 64.540 63.100 -0.188 0.000 0.779 4387 P CB -0.041 31.618 31.700 -0.068 0.000 0.780 4388 L N -0.872 120.249 121.223 -0.170 0.000 2.388 4388 L HA 0.049 4.389 4.340 -0.001 0.000 0.209 4388 L C 2.437 179.140 176.870 -0.280 0.000 1.061 4388 L CA 0.680 55.399 54.840 -0.202 0.000 0.834 4388 L CB -0.432 41.535 42.059 -0.154 0.000 1.029 4388 L HN -0.159 nan 8.230 nan 0.000 0.473 4389 V N -5.449 114.323 119.914 -0.237 0.000 3.565 4389 V HA 0.121 4.240 4.120 -0.001 0.000 0.260 4389 V C 1.261 177.277 176.094 -0.130 0.000 1.231 4389 V CA -0.468 61.706 62.300 -0.209 0.000 1.100 4389 V CB -0.180 31.555 31.823 -0.148 0.000 0.807 4389 V HN 0.474 nan 8.190 nan 0.000 0.454 4390 C N 1.487 120.610 119.300 -0.296 0.000 4.028 4390 C HA -0.185 4.274 4.460 -0.001 0.000 0.300 4390 C C 0.643 175.765 174.990 0.220 0.000 1.399 4390 C CA 0.494 59.258 59.018 -0.423 0.000 2.051 4390 C CB -2.736 24.748 27.740 -0.427 0.000 1.318 4390 C HN 0.673 nan 8.230 nan 0.000 0.696 4391 I N 1.540 122.388 120.570 0.462 0.000 2.291 4391 I HA 0.400 4.569 4.170 -0.001 0.000 0.290 4391 I C 1.053 177.547 176.117 0.627 0.000 1.050 4391 I CA 0.061 61.699 61.300 0.562 0.000 1.245 4391 I CB 0.713 38.974 38.000 0.435 0.000 1.405 4391 I HN 0.515 nan 8.210 nan 0.000 0.478 4392 A N 5.607 128.752 122.820 0.542 0.000 2.555 4392 A HA -0.053 4.266 4.320 -0.001 0.000 0.233 4392 A C 1.538 179.278 177.584 0.259 0.000 1.060 4392 A CA 0.023 52.299 52.037 0.399 0.000 0.759 4392 A CB 0.226 19.386 19.000 0.267 0.000 0.995 4392 A HN 0.844 nan 8.150 nan 0.000 0.506 4393 K N 0.889 121.344 120.400 0.092 0.000 2.127 4393 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 4393 K C 1.485 178.006 176.600 -0.131 0.000 1.047 4393 K CA 2.557 58.681 56.287 -0.270 0.000 0.927 4393 K CB -0.164 31.882 32.500 -0.756 0.000 0.716 4393 K HN 0.805 nan 8.250 nan 0.000 0.450 4394 E N 0.008 120.175 120.200 -0.056 0.000 2.110 4394 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 4394 E C 1.653 178.251 176.600 -0.002 0.000 0.988 4394 E CA 1.315 57.695 56.400 -0.034 0.000 0.804 4394 E CB -0.082 29.611 29.700 -0.011 0.000 0.745 4394 E HN 0.336 nan 8.360 nan 0.000 0.458 4395 L N 0.267 121.513 121.223 0.038 0.000 2.509 4395 L HA 0.055 4.395 4.340 -0.001 0.000 0.222 4395 L C 1.751 178.661 176.870 0.067 0.000 1.123 4395 L CA -0.150 54.709 54.840 0.030 0.000 0.856 4395 L CB -0.219 41.845 42.059 0.010 0.000 0.985 4395 L HN 0.127 nan 8.230 nan 0.000 0.456 4396 I N 1.072 121.703 120.570 0.102 0.000 2.185 4396 I HA -0.211 3.958 4.170 -0.001 0.000 0.246 4396 I C 0.026 176.209 176.117 0.112 0.000 1.088 4396 I CA 2.110 63.497 61.300 0.146 0.000 1.347 4396 I CB -2.070 36.013 38.000 0.138 0.000 1.041 4396 I HN 0.202 nan 8.210 nan 0.000 0.415 4397 P HA -0.160 nan 4.420 nan 0.000 0.214 4397 P C 1.709 179.047 177.300 0.062 0.000 1.162 4397 P CA 1.343 64.473 63.100 0.050 0.000 0.874 4397 P CB -0.038 31.671 31.700 0.015 0.000 0.784 4398 E N -0.017 120.213 120.200 0.051 0.000 2.085 4398 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 4398 E C 1.861 178.528 176.600 0.112 0.000 0.994 4398 E CA 1.416 57.855 56.400 0.065 0.000 0.801 4398 E CB -0.639 29.089 29.700 0.047 0.000 0.743 4398 E HN 0.022 nan 8.360 nan 0.000 0.453 4399 A N 0.523 123.413 122.820 0.118 0.000 1.851 4399 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 4399 A C 2.480 180.168 177.584 0.172 0.000 1.195 4399 A CA 2.382 54.508 52.037 0.149 0.000 0.622 4399 A CB -1.292 17.808 19.000 0.167 0.000 0.831 4399 A HN 0.409 nan 8.150 nan 0.000 0.444 4400 T N -0.419 114.242 114.554 0.178 0.000 2.684 4400 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 4400 T C 1.908 176.711 174.700 0.171 0.000 1.036 4400 T CA 1.865 64.085 62.100 0.200 0.000 1.148 4400 T CB -0.290 68.687 68.868 0.183 0.000 0.863 4400 T HN 0.651 nan 8.240 nan 0.000 0.436 4401 E N 1.424 121.691 120.200 0.112 0.000 2.106 4401 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 4401 E C 2.056 178.678 176.600 0.036 0.000 0.984 4401 E CA 1.290 57.731 56.400 0.069 0.000 0.806 4401 E CB -0.261 29.464 29.700 0.042 0.000 0.750 4401 E HN 0.264 nan 8.360 nan 0.000 0.458 4402 K N -0.814 119.586 120.400 -0.000 0.000 2.152 4402 K HA -0.164 4.155 4.320 -0.001 0.000 0.206 4402 K C 1.479 178.000 176.600 -0.132 0.000 1.048 4402 K CA 1.574 57.747 56.287 -0.189 0.000 0.933 4402 K CB -0.496 31.651 32.500 -0.589 0.000 0.721 4402 K HN 0.287 nan 8.250 nan 0.000 0.447 4403 Y N -0.532 119.696 120.300 -0.121 0.000 2.353 4403 Y HA 0.210 4.760 4.550 -0.001 0.000 0.294 4403 Y C 1.847 177.764 175.900 0.029 0.000 1.135 4403 Y CA 0.766 58.850 58.100 -0.027 0.000 1.176 4403 Y CB 0.127 38.631 38.460 0.072 0.000 1.124 4403 Y HN -0.128 nan 8.280 nan 0.000 0.537 4404 L N -1.510 119.852 121.223 0.233 0.000 2.209 4404 L HA 0.069 4.409 4.340 -0.001 0.000 0.207 4404 L C 2.391 179.315 176.870 0.090 0.000 1.094 4404 L CA 0.997 55.935 54.840 0.164 0.000 0.790 4404 L CB -1.097 41.066 42.059 0.174 0.000 0.932 4404 L HN 0.273 nan 8.230 nan 0.000 0.447 4405 G N 0.380 109.219 108.800 0.065 0.000 2.564 4405 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.217 4405 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.217 4405 G C 1.489 176.398 174.900 0.016 0.000 1.120 4405 G CA 0.761 45.881 45.100 0.033 0.000 0.752 4405 G HN 0.484 nan 8.290 nan 0.000 0.558 4406 G N 0.214 109.021 108.800 0.012 0.000 2.453 4406 G HA2 0.071 4.030 3.960 -0.001 0.000 0.215 4406 G HA3 0.071 4.030 3.960 -0.001 0.000 0.215 4406 G C 1.165 176.071 174.900 0.011 0.000 1.201 4406 G CA 1.558 46.657 45.100 -0.002 0.000 0.784 4406 G HN 0.694 nan 8.290 nan 0.000 0.545 4407 T N -3.519 111.051 114.554 0.027 0.000 2.905 4407 T HA 0.551 4.900 4.350 -0.001 0.000 0.279 4407 T C -0.023 174.695 174.700 0.031 0.000 0.998 4407 T CA -0.478 61.639 62.100 0.028 0.000 0.971 4407 T CB 2.189 71.079 68.868 0.036 0.000 1.188 4407 T HN -0.066 nan 8.240 nan 0.000 0.580 4408 D N -0.483 119.933 120.400 0.028 0.000 2.469 4408 D HA 0.107 4.747 4.640 -0.001 0.000 0.215 4408 D C -0.484 175.834 176.300 0.029 0.000 1.154 4408 D CA -0.076 53.940 54.000 0.026 0.000 0.832 4408 D CB 0.402 41.214 40.800 0.019 0.000 1.008 4408 D HN 0.575 nan 8.370 nan 0.000 0.506 4409 D N 1.862 122.283 120.400 0.035 0.000 2.402 4409 D HA -0.026 4.613 4.640 -0.001 0.000 0.235 4409 D C 1.656 177.984 176.300 0.046 0.000 1.226 4409 D CA 0.113 54.136 54.000 0.038 0.000 0.918 4409 D CB 1.104 41.927 40.800 0.039 0.000 1.043 4409 D HN 0.046 nan 8.370 nan 0.000 0.506 4410 T N 0.508 115.086 114.554 0.040 0.000 2.714 4410 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 4410 T C 1.860 176.592 174.700 0.054 0.000 1.036 4410 T CA 1.335 63.460 62.100 0.042 0.000 1.148 4410 T CB -0.317 68.570 68.868 0.032 0.000 0.856 4410 T HN 0.233 nan 8.240 nan 0.000 0.462 4411 V N 1.310 121.258 119.914 0.056 0.000 2.407 4411 V HA 0.003 4.122 4.120 -0.001 0.000 0.245 4411 V C 2.815 178.960 176.094 0.086 0.000 1.041 4411 V CA 1.531 63.871 62.300 0.068 0.000 1.040 4411 V CB -0.490 31.367 31.823 0.058 0.000 0.671 4411 V HN 0.478 nan 8.190 nan 0.000 0.455 4412 K N 0.038 120.484 120.400 0.078 0.000 2.209 4412 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 4412 K C 2.181 178.853 176.600 0.119 0.000 1.048 4412 K CA 1.091 57.432 56.287 0.090 0.000 0.940 4412 K CB -0.099 32.443 32.500 0.071 0.000 0.729 4412 K HN 0.437 nan 8.250 nan 0.000 0.451 4413 K N 0.794 121.263 120.400 0.116 0.000 2.031 4413 K HA -0.106 4.213 4.320 -0.001 0.000 0.205 4413 K C 2.080 178.801 176.600 0.203 0.000 1.049 4413 K CA 0.797 57.172 56.287 0.147 0.000 0.939 4413 K CB -0.032 32.532 32.500 0.107 0.000 0.717 4413 K HN -0.020 nan 8.250 nan 0.000 0.438 4414 K N 1.286 121.786 120.400 0.166 0.000 2.211 4414 K HA -0.198 4.122 4.320 -0.001 0.000 0.204 4414 K C 1.128 177.900 176.600 0.286 0.000 1.047 4414 K CA 1.473 57.888 56.287 0.212 0.000 0.935 4414 K CB 0.064 32.653 32.500 0.148 0.000 0.728 4414 K HN 0.151 nan 8.250 nan 0.000 0.452 4415 D N 0.637 121.172 120.400 0.224 0.000 2.110 4415 D HA -0.080 4.559 4.640 -0.001 0.000 0.202 4415 D C 2.130 178.578 176.300 0.247 0.000 0.975 4415 D CA 0.735 54.863 54.000 0.214 0.000 0.839 4415 D CB -0.153 40.742 40.800 0.157 0.000 0.996 4415 D HN 0.158 nan 8.370 nan 0.000 0.464 4416 L N 0.495 121.867 121.223 0.249 0.000 2.043 4416 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 4416 L C 2.481 179.558 176.870 0.346 0.000 1.075 4416 L CA 0.906 55.924 54.840 0.297 0.000 0.752 4416 L CB -0.506 41.721 42.059 0.280 0.000 0.891 4416 L HN 0.002 nan 8.230 nan 0.000 0.432 4417 F N 0.384 120.449 119.950 0.191 0.000 2.236 4417 F HA -0.230 4.296 4.527 -0.002 0.000 0.302 4417 F C 1.991 177.878 175.800 0.146 0.000 1.073 4417 F CA 1.436 59.529 58.000 0.154 0.000 1.336 4417 F CB -0.087 39.009 39.000 0.161 0.000 1.040 4417 F HN -0.064 nan 8.300 nan 0.000 0.507 4418 L N -0.778 120.520 121.223 0.125 0.000 2.249 4418 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 4418 L C 2.069 178.978 176.870 0.064 0.000 1.090 4418 L CA 0.680 55.568 54.840 0.080 0.000 0.802 4418 L CB -0.706 41.497 42.059 0.240 0.000 0.947 4418 L HN -0.041 nan 8.230 nan 0.000 0.453 4419 D N 0.427 120.917 120.400 0.151 0.000 2.144 4419 D HA -0.170 4.469 4.640 -0.001 0.000 0.199 4419 D C 2.069 178.451 176.300 0.137 0.000 0.984 4419 D CA 0.979 55.105 54.000 0.209 0.000 0.834 4419 D CB 0.010 41.004 40.800 0.324 0.000 0.955 4419 D HN 0.097 nan 8.370 nan 0.000 0.465 4420 L N 1.646 122.833 121.223 -0.061 0.000 1.943 4420 L HA -0.168 4.172 4.340 -0.001 0.000 0.215 4420 L C 2.201 178.807 176.870 -0.441 0.000 1.074 4420 L CA 1.593 56.121 54.840 -0.520 0.000 0.759 4420 L CB -1.350 40.311 42.059 -0.663 0.000 0.888 4420 L HN 0.016 nan 8.230 nan 0.000 0.433 4421 I N 0.107 120.353 120.570 -0.541 0.000 2.315 4421 I HA -0.307 3.862 4.170 -0.001 0.000 0.251 4421 I C 2.557 178.366 176.117 -0.512 0.000 1.125 4421 I CA 1.178 62.077 61.300 -0.668 0.000 1.392 4421 I CB -0.629 36.745 38.000 -1.043 0.000 1.065 4421 I HN 0.444 nan 8.210 nan 0.000 0.424 4422 A N 0.325 123.016 122.820 -0.215 0.000 1.898 4422 A HA -0.167 4.152 4.320 -0.001 0.000 0.214 4422 A C 1.980 179.580 177.584 0.025 0.000 1.183 4422 A CA 1.428 53.498 52.037 0.055 0.000 0.622 4422 A CB -0.403 18.714 19.000 0.195 0.000 0.824 4422 A HN 0.298 nan 8.150 nan 0.000 0.444 4423 D N 0.067 120.446 120.400 -0.035 0.000 2.123 4423 D HA -0.121 4.519 4.640 -0.001 0.000 0.196 4423 D C 2.049 178.183 176.300 -0.277 0.000 0.992 4423 D CA 1.618 55.594 54.000 -0.039 0.000 0.833 4423 D CB -0.283 40.600 40.800 0.138 0.000 0.954 4423 D HN 0.248 nan 8.370 nan 0.000 0.455 4424 V N 0.735 120.328 119.914 -0.535 0.000 2.453 4424 V HA -0.168 3.951 4.120 -0.001 0.000 0.247 4424 V C 2.416 178.215 176.094 -0.493 0.000 1.048 4424 V CA 1.179 63.076 62.300 -0.671 0.000 1.049 4424 V CB -0.302 31.024 31.823 -0.827 0.000 0.672 4424 V HN 0.185 nan 8.190 nan 0.000 0.457 4425 M N -1.806 117.474 119.600 -0.534 0.000 2.357 4425 M HA 0.126 4.605 4.480 -0.001 0.000 0.266 4425 M C 1.745 177.465 176.300 -0.967 0.000 1.095 4425 M CA 1.839 56.645 55.300 -0.824 0.000 1.156 4425 M CB 0.043 31.971 32.600 -1.119 0.000 1.365 4425 M HN 0.365 nan 8.290 nan 0.000 0.447 4426 F N -1.639 118.239 119.950 -0.120 0.000 2.463 4426 F HA 0.364 4.890 4.527 -0.002 0.000 0.271 4426 F C 2.375 178.126 175.800 -0.082 0.000 0.888 4426 F CA 0.204 58.161 58.000 -0.072 0.000 1.149 4426 F CB -1.366 37.632 39.000 -0.004 0.000 1.071 4426 F HN 0.024 nan 8.300 nan 0.000 0.802 4427 G N 1.305 110.195 108.800 0.151 0.000 2.672 4427 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 4427 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 4427 G C 1.729 176.631 174.900 0.005 0.000 1.238 4427 G CA 2.116 47.250 45.100 0.056 0.000 0.791 4427 G HN 0.167 nan 8.290 nan 0.000 0.606 4428 V N 2.446 122.356 119.914 -0.006 0.000 2.220 4428 V HA -0.148 3.971 4.120 -0.001 0.000 0.246 4428 V C 0.582 176.665 176.094 -0.019 0.000 1.049 4428 V CA 2.640 64.948 62.300 0.015 0.000 1.003 4428 V CB -1.287 30.542 31.823 0.010 0.000 0.634 4428 V HN 0.304 nan 8.190 nan 0.000 0.444 4429 P HA -0.157 nan 4.420 nan 0.000 0.216 4429 P C 2.056 179.315 177.300 -0.068 0.000 1.157 4429 P CA 2.152 65.201 63.100 -0.084 0.000 0.880 4429 P CB -0.139 31.473 31.700 -0.146 0.000 0.791 4430 S N -0.869 114.789 115.700 -0.070 0.000 2.359 4430 S HA -0.137 4.332 4.470 -0.001 0.000 0.224 4430 S C 1.981 176.489 174.600 -0.154 0.000 1.035 4430 S CA 1.462 59.595 58.200 -0.112 0.000 1.018 4430 S CB -1.287 61.846 63.200 -0.112 0.000 0.876 4430 S HN -0.051 nan 8.310 nan 0.000 0.448 4431 V N 2.205 122.049 119.914 -0.117 0.000 2.261 4431 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 4431 V C 2.089 178.158 176.094 -0.042 0.000 1.047 4431 V CA 1.648 63.881 62.300 -0.112 0.000 1.015 4431 V CB -0.744 31.065 31.823 -0.022 0.000 0.642 4431 V HN 0.446 nan 8.190 nan 0.000 0.446 4432 I N -0.278 120.291 120.570 -0.003 0.000 2.099 4432 I HA -0.257 3.912 4.170 -0.001 0.000 0.239 4432 I C 2.474 178.603 176.117 0.020 0.000 1.066 4432 I CA 1.584 62.900 61.300 0.027 0.000 1.324 4432 I CB -0.651 37.363 38.000 0.023 0.000 1.037 4432 I HN 0.141 nan 8.210 nan 0.000 0.401 4433 V N 1.279 121.187 119.914 -0.010 0.000 2.250 4433 V HA -0.395 3.724 4.120 -0.001 0.000 0.250 4433 V C 2.752 178.862 176.094 0.027 0.000 1.060 4433 V CA 2.348 64.657 62.300 0.015 0.000 1.030 4433 V CB -1.134 30.683 31.823 -0.011 0.000 0.643 4433 V HN 0.569 nan 8.190 nan 0.000 0.445 4434 A N -0.588 122.178 122.820 -0.091 0.000 1.908 4434 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 4434 A C 2.352 179.993 177.584 0.095 0.000 1.181 4434 A CA 2.040 53.999 52.037 -0.130 0.000 0.627 4434 A CB -0.535 18.198 19.000 -0.445 0.000 0.818 4434 A HN 0.532 nan 8.150 nan 0.000 0.445 4435 R N -0.491 120.095 120.500 0.143 0.000 2.081 4435 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 4435 R C 1.899 178.292 176.300 0.155 0.000 1.131 4435 R CA 1.783 58.022 56.100 0.231 0.000 0.960 4435 R CB -0.418 29.994 30.300 0.185 0.000 0.856 4435 R HN 0.632 nan 8.270 nan 0.000 0.436 4436 N N -0.646 118.127 118.700 0.122 0.000 2.309 4436 N HA -0.160 4.579 4.740 -0.001 0.000 0.182 4436 N C 1.520 177.102 175.510 0.121 0.000 1.018 4436 N CA 1.022 54.129 53.050 0.096 0.000 0.876 4436 N CB -0.143 38.390 38.487 0.076 0.000 0.972 4436 N HN 0.284 nan 8.380 nan 0.000 0.434 4437 H N 0.659 119.784 119.070 0.092 0.000 2.395 4437 H HA 0.122 4.678 4.556 -0.001 0.000 0.299 4437 H C 2.164 177.545 175.328 0.088 0.000 1.070 4437 H CA 1.300 57.417 56.048 0.116 0.000 1.356 4437 H CB 0.173 30.058 29.762 0.205 0.000 1.401 4437 H HN 0.032 nan 8.280 nan 0.000 0.524 4438 R N 0.375 120.969 120.500 0.157 0.000 2.073 4438 R HA -0.120 4.219 4.340 -0.001 0.000 0.234 4438 R C 0.996 177.297 176.300 0.000 0.000 1.134 4438 R CA 1.909 58.058 56.100 0.082 0.000 0.952 4438 R CB -0.137 30.252 30.300 0.147 0.000 0.850 4438 R HN 0.396 nan 8.270 nan 0.000 0.433 4439 D N -0.011 120.399 120.400 0.017 0.000 2.378 4439 D HA -0.077 4.562 4.640 -0.001 0.000 0.222 4439 D C 0.990 177.263 176.300 -0.045 0.000 0.980 4439 D CA 0.977 54.970 54.000 -0.012 0.000 0.907 4439 D CB 0.283 41.087 40.800 0.006 0.000 0.899 4439 D HN 0.402 nan 8.370 nan 0.000 0.527 4440 A N -0.590 122.182 122.820 -0.079 0.000 2.348 4440 A HA 0.523 4.842 4.320 -0.001 0.000 0.224 4440 A C 1.787 179.289 177.584 -0.137 0.000 1.227 4440 A CA 0.837 52.806 52.037 -0.113 0.000 0.885 4440 A CB 0.453 19.375 19.000 -0.131 0.000 0.933 4440 A HN 0.233 nan 8.150 nan 0.000 0.506 4441 G N -1.185 107.536 108.800 -0.132 0.000 2.339 4441 G HA2 0.121 4.081 3.960 -0.001 0.000 0.209 4441 G HA3 0.121 4.081 3.960 -0.001 0.000 0.209 4441 G C 0.643 175.468 174.900 -0.125 0.000 1.015 4441 G CA 0.019 45.052 45.100 -0.111 0.000 0.635 4441 G HN 1.536 nan 8.290 nan 0.000 0.499 4442 A N 1.626 124.300 122.820 -0.243 0.000 2.386 4442 A HA 0.645 4.964 4.320 -0.001 0.000 0.248 4442 A C -2.058 175.502 177.584 -0.040 0.000 1.082 4442 A CA -0.493 51.429 52.037 -0.192 0.000 0.789 4442 A CB 0.012 18.768 19.000 -0.408 0.000 1.025 4442 A HN 0.199 nan 8.150 nan 0.000 0.490 4443 P HA 0.245 nan 4.420 nan 0.000 0.271 4443 P C -0.571 176.826 177.300 0.162 0.000 1.233 4443 P CA 0.506 63.653 63.100 0.079 0.000 0.764 4443 P CB 0.774 32.566 31.700 0.154 0.000 0.825 4444 T N 3.153 117.676 114.554 -0.052 0.000 2.887 4444 T HA 0.595 4.944 4.350 -0.001 0.000 0.288 4444 T C -0.867 173.585 174.700 -0.414 0.000 1.021 4444 T CA -0.305 61.797 62.100 0.003 0.000 1.000 4444 T CB 0.857 69.843 68.868 0.196 0.000 1.034 4444 T HN 0.137 nan 8.240 nan 0.000 0.467 4445 Y N 0.484 120.737 120.300 -0.079 0.000 2.553 4445 Y HA 0.743 5.292 4.550 -0.001 0.000 0.347 4445 Y C -0.048 175.792 175.900 -0.099 0.000 1.019 4445 Y CA -1.201 56.813 58.100 -0.143 0.000 1.032 4445 Y CB 2.184 40.283 38.460 -0.602 0.000 1.284 4445 Y HN 0.402 nan 8.280 nan 0.000 0.466 4446 M N 2.071 121.903 119.600 0.386 0.000 2.618 4446 M HA 0.544 5.023 4.480 -0.001 0.000 0.281 4446 M C -1.809 174.789 176.300 0.496 0.000 1.267 4446 M CA -0.949 54.453 55.300 0.170 0.000 0.845 4446 M CB 3.731 36.206 32.600 -0.208 0.000 1.732 4446 M HN 0.766 nan 8.290 nan 0.000 0.461 4447 Y N -1.652 118.763 120.300 0.191 0.000 2.641 4447 Y HA 0.689 5.238 4.550 -0.001 0.000 0.333 4447 Y C -1.821 174.145 175.900 0.110 0.000 1.174 4447 Y CA -0.979 57.204 58.100 0.139 0.000 1.057 4447 Y CB 1.430 39.920 38.460 0.051 0.000 1.322 4447 Y HN 0.693 nan 8.280 nan 0.000 0.457 4448 E N 2.526 122.999 120.200 0.455 0.000 2.199 4448 E HA 0.396 4.745 4.350 -0.001 0.000 0.265 4448 E C -2.123 174.748 176.600 0.452 0.000 0.882 4448 E CA -0.922 55.687 56.400 0.348 0.000 0.759 4448 E CB 1.521 31.347 29.700 0.210 0.000 1.148 4448 E HN 0.603 nan 8.360 nan 0.000 0.412 4449 F N 3.249 123.404 119.950 0.341 0.000 2.394 4449 F HA 0.255 4.781 4.527 -0.001 0.000 0.340 4449 F C -0.134 175.767 175.800 0.168 0.000 1.105 4449 F CA -0.057 58.073 58.000 0.216 0.000 1.124 4449 F CB 1.244 40.364 39.000 0.201 0.000 1.145 4449 F HN 0.466 nan 8.300 nan 0.000 0.505 4450 Q N 6.512 126.072 119.800 -0.400 0.000 3.662 4450 Q HA 0.203 4.542 4.340 -0.001 0.000 0.237 4450 Q C -2.269 173.613 176.000 -0.198 0.000 0.895 4450 Q CA -0.415 55.290 55.803 -0.163 0.000 0.767 4450 Q CB 0.674 29.380 28.738 -0.053 0.000 1.469 4450 Q HN 0.779 nan 8.270 nan 0.000 0.424 4451 Y N 0.151 120.247 120.300 -0.339 0.000 2.597 4451 Y HA 0.484 5.034 4.550 -0.001 0.000 0.340 4451 Y C -1.755 174.154 175.900 0.015 0.000 1.097 4451 Y CA -1.033 56.945 58.100 -0.203 0.000 1.037 4451 Y CB 1.657 39.922 38.460 -0.325 0.000 1.305 4451 Y HN 0.347 nan 8.280 nan 0.000 0.463 4452 R N 6.238 126.352 120.500 -0.644 0.000 2.287 4452 R HA 0.452 4.791 4.340 -0.001 0.000 0.316 4452 R C -2.847 173.217 176.300 -0.393 0.000 1.050 4452 R CA -2.023 53.867 56.100 -0.349 0.000 0.983 4452 R CB 0.800 30.904 30.300 -0.327 0.000 1.140 4452 R HN 0.419 nan 8.270 nan 0.000 0.528 4453 P HA -0.040 nan 4.420 nan 0.000 0.269 4453 P C 0.330 177.490 177.300 -0.233 0.000 1.209 4453 P CA 0.110 63.248 63.100 0.062 0.000 0.776 4453 P CB 1.396 33.228 31.700 0.220 0.000 0.876 4454 S N 1.259 116.693 115.700 -0.444 0.000 2.515 4454 S HA -0.069 4.400 4.470 -0.001 0.000 0.231 4454 S C 1.035 175.246 174.600 -0.647 0.000 0.987 4454 S CA 0.402 58.250 58.200 -0.586 0.000 0.936 4454 S CB -1.065 61.715 63.200 -0.700 0.000 0.766 4454 S HN 0.374 nan 8.310 nan 0.000 0.528 4455 F N 2.191 121.889 119.950 -0.420 0.000 2.692 4455 F HA 0.420 4.946 4.527 -0.001 0.000 0.303 4455 F C 1.108 176.658 175.800 -0.417 0.000 1.114 4455 F CA -0.618 57.082 58.000 -0.501 0.000 1.361 4455 F CB -0.382 38.105 39.000 -0.856 0.000 1.063 4455 F HN 0.018 nan 8.300 nan 0.000 0.550 4456 S N -0.026 115.567 115.700 -0.178 0.000 2.584 4456 S HA 0.073 4.542 4.470 -0.001 0.000 0.270 4456 S C 0.641 175.202 174.600 -0.064 0.000 1.346 4456 S CA -0.559 57.601 58.200 -0.067 0.000 1.018 4456 S CB 0.909 64.040 63.200 -0.116 0.000 0.899 4456 S HN 0.267 nan 8.310 nan 0.000 0.542 4457 S N 0.321 116.011 115.700 -0.015 0.000 2.559 4457 S HA -0.045 4.424 4.470 -0.001 0.000 0.282 4457 S C 1.077 175.595 174.600 -0.136 0.000 1.336 4457 S CA -0.328 57.865 58.200 -0.012 0.000 1.037 4457 S CB 0.179 63.456 63.200 0.129 0.000 0.853 4457 S HN 0.726 nan 8.310 nan 0.000 0.523 4458 D N 2.182 122.539 120.400 -0.071 0.000 2.224 4458 D HA -0.019 4.621 4.640 -0.001 0.000 0.205 4458 D C 1.575 177.804 176.300 -0.118 0.000 0.965 4458 D CA 1.087 55.031 54.000 -0.094 0.000 0.852 4458 D CB 0.049 40.823 40.800 -0.044 0.000 0.947 4458 D HN 0.614 nan 8.370 nan 0.000 0.494 4459 M N 0.217 119.774 119.600 -0.072 0.000 2.619 4459 M HA -0.018 4.461 4.480 -0.001 0.000 0.251 4459 M C 0.966 177.134 176.300 -0.219 0.000 1.106 4459 M CA 0.451 55.748 55.300 -0.004 0.000 1.086 4459 M CB 0.108 32.842 32.600 0.223 0.000 1.465 4459 M HN -0.272 nan 8.290 nan 0.000 0.506 4460 K N 3.354 123.323 120.400 -0.718 0.000 2.262 4460 K HA 0.261 4.581 4.320 -0.001 0.000 0.282 4460 K C -2.277 173.926 176.600 -0.661 0.000 1.066 4460 K CA -1.806 53.644 56.287 -1.395 0.000 0.901 4460 K CB 0.883 32.335 32.500 -1.747 0.000 1.089 4460 K HN -0.097 nan 8.250 nan 0.000 0.476 4461 P HA -0.063 nan 4.420 nan 0.000 0.269 4461 P C -0.465 176.699 177.300 -0.226 0.000 1.211 4461 P CA 0.130 63.087 63.100 -0.238 0.000 0.781 4461 P CB 0.669 32.295 31.700 -0.123 0.000 0.877 4462 K N 0.088 120.393 120.400 -0.157 0.000 2.365 4462 K HA -0.047 4.272 4.320 -0.001 0.000 0.199 4462 K C 1.802 178.332 176.600 -0.116 0.000 1.045 4462 K CA 1.583 57.782 56.287 -0.146 0.000 0.962 4462 K CB -0.480 31.947 32.500 -0.122 0.000 0.759 4462 K HN 0.629 nan 8.250 nan 0.000 0.469 4463 T N -1.531 112.972 114.554 -0.085 0.000 3.055 4463 T HA 0.021 4.370 4.350 -0.001 0.000 0.265 4463 T C 0.870 175.550 174.700 -0.034 0.000 1.111 4463 T CA -0.065 62.006 62.100 -0.049 0.000 1.118 4463 T CB -0.221 68.636 68.868 -0.018 0.000 0.909 4463 T HN -0.200 nan 8.240 nan 0.000 0.501 4464 V N 2.643 122.527 119.914 -0.048 0.000 2.479 4464 V HA 0.343 4.462 4.120 -0.001 0.000 0.281 4464 V C 0.098 176.183 176.094 -0.015 0.000 1.031 4464 V CA -0.303 61.995 62.300 -0.002 0.000 1.038 4464 V CB -0.177 31.645 31.823 -0.002 0.000 0.981 4464 V HN 0.441 nan 8.190 nan 0.000 0.478 4465 I N 3.699 124.281 120.570 0.020 0.000 2.466 4465 I HA 0.630 4.799 4.170 -0.001 0.000 0.289 4465 I C 0.854 177.016 176.117 0.075 0.000 1.026 4465 I CA -0.528 60.775 61.300 0.005 0.000 1.078 4465 I CB 1.795 39.778 38.000 -0.029 0.000 1.249 4465 I HN 0.798 nan 8.210 nan 0.000 0.429 4466 G N 3.739 112.612 108.800 0.121 0.000 2.324 4466 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.292 4466 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.292 4466 G C -0.315 174.715 174.900 0.218 0.000 1.079 4466 G CA 0.017 45.253 45.100 0.227 0.000 1.026 4466 G HN 0.770 nan 8.290 nan 0.000 0.506 4467 D N -0.809 119.717 120.400 0.211 0.000 2.360 4467 D HA 0.343 4.983 4.640 -0.001 0.000 0.242 4467 D C 0.963 177.393 176.300 0.217 0.000 1.184 4467 D CA -0.424 53.714 54.000 0.230 0.000 0.930 4467 D CB 0.355 41.322 40.800 0.278 0.000 1.161 4467 D HN 0.450 nan 8.370 nan 0.000 0.447 4468 H N 0.675 119.817 119.070 0.121 0.000 3.216 4468 H HA 0.238 4.793 4.556 -0.001 0.000 0.283 4468 H C 1.222 176.601 175.328 0.085 0.000 0.921 4468 H CA 1.722 57.800 56.048 0.049 0.000 1.419 4468 H CB -0.286 29.496 29.762 0.034 0.000 1.460 4468 H HN 0.627 nan 8.280 nan 0.000 0.553 4469 G N 4.351 112.856 108.800 -0.492 0.000 2.137 4469 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.237 4469 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.237 4469 G C 0.749 175.397 174.900 -0.421 0.000 1.002 4469 G CA 0.379 45.127 45.100 -0.586 0.000 0.702 4469 G HN 0.676 nan 8.290 nan 0.000 0.515 4470 D N 0.299 120.634 120.400 -0.108 0.000 2.355 4470 D HA 0.067 4.706 4.640 -0.001 0.000 0.218 4470 D C 2.295 178.570 176.300 -0.042 0.000 1.004 4470 D CA 0.910 54.992 54.000 0.136 0.000 0.880 4470 D CB 0.103 41.112 40.800 0.348 0.000 0.911 4470 D HN 0.715 nan 8.370 nan 0.000 0.528 4471 E N 0.784 120.670 120.200 -0.523 0.000 2.435 4471 E HA -0.076 4.273 4.350 -0.001 0.000 0.195 4471 E C 1.787 178.014 176.600 -0.622 0.000 1.029 4471 E CA 0.155 55.891 56.400 -1.108 0.000 0.865 4471 E CB -0.315 28.631 29.700 -1.257 0.000 0.833 4471 E HN 0.299 nan 8.360 nan 0.000 0.510 4472 L N -0.040 120.864 121.223 -0.532 0.000 2.083 4472 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 4472 L C 2.408 179.024 176.870 -0.423 0.000 1.083 4472 L CA 1.345 55.889 54.840 -0.494 0.000 0.752 4472 L CB -0.547 41.086 42.059 -0.709 0.000 0.899 4472 L HN 0.036 nan 8.230 nan 0.000 0.433 4473 F N -0.548 119.302 119.950 -0.166 0.000 2.171 4473 F HA -0.211 4.315 4.527 -0.002 0.000 0.300 4473 F C 2.644 178.388 175.800 -0.092 0.000 1.090 4473 F CA 1.303 59.226 58.000 -0.128 0.000 1.293 4473 F CB -0.458 38.528 39.000 -0.024 0.000 1.013 4473 F HN -0.011 nan 8.300 nan 0.000 0.486 4474 S N -0.163 115.551 115.700 0.023 0.000 2.377 4474 S HA -0.090 4.379 4.470 -0.001 0.000 0.223 4474 S C 2.225 176.682 174.600 -0.237 0.000 1.030 4474 S CA 0.944 59.106 58.200 -0.063 0.000 0.970 4474 S CB -0.469 62.684 63.200 -0.079 0.000 0.830 4474 S HN 0.116 nan 8.310 nan 0.000 0.473 4475 V N 0.643 120.301 119.914 -0.427 0.000 2.469 4475 V HA -0.118 4.002 4.120 -0.001 0.000 0.251 4475 V C 1.333 177.095 176.094 -0.554 0.000 1.064 4475 V CA 1.601 63.517 62.300 -0.639 0.000 1.066 4475 V CB -0.714 30.714 31.823 -0.658 0.000 0.667 4475 V HN 0.442 nan 8.190 nan 0.000 0.461 4476 F N 0.174 119.951 119.950 -0.289 0.000 2.639 4476 F HA 0.495 5.021 4.527 -0.001 0.000 0.302 4476 F C 1.667 177.399 175.800 -0.113 0.000 1.097 4476 F CA 0.342 58.208 58.000 -0.224 0.000 1.294 4476 F CB 0.002 38.824 39.000 -0.298 0.000 1.027 4476 F HN 0.221 nan 8.300 nan 0.000 0.550 4477 G N 0.966 109.798 108.800 0.052 0.000 2.323 4477 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.292 4477 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.292 4477 G C 1.319 176.380 174.900 0.269 0.000 1.040 4477 G CA 0.372 45.632 45.100 0.267 0.000 0.942 4477 G HN 0.579 nan 8.290 nan 0.000 0.506 4478 A N 0.007 122.875 122.820 0.081 0.000 1.978 4478 A HA 0.075 4.394 4.320 -0.001 0.000 0.220 4478 A C 0.561 178.035 177.584 -0.184 0.000 1.170 4478 A CA 2.085 54.036 52.037 -0.144 0.000 0.636 4478 A CB -0.679 18.118 19.000 -0.338 0.000 0.810 4478 A HN 0.476 nan 8.150 nan 0.000 0.448 4479 P HA -0.032 nan 4.420 nan 0.000 0.239 4479 P C 0.182 177.228 177.300 -0.423 0.000 1.184 4479 P CA 0.769 63.802 63.100 -0.111 0.000 0.760 4479 P CB -0.115 31.437 31.700 -0.246 0.000 0.884 4480 F N -2.540 117.457 119.950 0.078 0.000 2.661 4480 F HA 0.281 4.807 4.527 -0.001 0.000 0.306 4480 F C 1.478 177.333 175.800 0.091 0.000 1.094 4480 F CA 0.214 58.285 58.000 0.118 0.000 1.254 4480 F CB 0.038 39.153 39.000 0.191 0.000 1.040 4480 F HN -0.194 nan 8.300 nan 0.000 0.562 4481 L N -1.676 119.637 121.223 0.150 0.000 2.902 4481 L HA 0.277 4.616 4.340 -0.001 0.000 0.254 4481 L C 0.575 177.473 176.870 0.046 0.000 1.115 4481 L CA 0.115 55.012 54.840 0.094 0.000 0.947 4481 L CB 0.370 42.466 42.059 0.062 0.000 1.369 4481 L HN -0.197 nan 8.230 nan 0.000 0.538 4482 K N 0.464 120.879 120.400 0.025 0.000 2.245 4482 K HA 0.442 4.762 4.320 -0.001 0.000 0.234 4482 K C -0.431 176.245 176.600 0.127 0.000 1.021 4482 K CA -0.662 55.666 56.287 0.068 0.000 0.898 4482 K CB 1.578 34.110 32.500 0.052 0.000 1.163 4482 K HN -0.093 nan 8.250 nan 0.000 0.459 4483 E N -0.256 120.022 120.200 0.131 0.000 2.248 4483 E HA 0.260 4.609 4.350 -0.001 0.000 0.272 4483 E C -0.435 176.200 176.600 0.059 0.000 1.008 4483 E CA -0.375 56.072 56.400 0.079 0.000 0.856 4483 E CB 1.348 31.075 29.700 0.045 0.000 1.120 4483 E HN 0.759 nan 8.360 nan 0.000 0.397 4484 G N 1.339 110.140 108.800 0.002 0.000 2.381 4484 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.281 4484 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.281 4484 G C -0.315 174.508 174.900 -0.129 0.000 0.984 4484 G CA 0.274 45.339 45.100 -0.058 0.000 1.339 4484 G HN 0.535 nan 8.290 nan 0.000 0.485 4485 A N 1.661 124.418 122.820 -0.105 0.000 2.317 4485 A HA 0.881 5.201 4.320 -0.001 0.000 0.327 4485 A C 0.812 178.320 177.584 -0.127 0.000 1.178 4485 A CA 0.301 52.245 52.037 -0.156 0.000 0.817 4485 A CB 0.995 19.953 19.000 -0.070 0.000 1.189 4485 A HN 1.514 nan 8.150 nan 0.000 0.489 4486 S N 1.055 116.679 115.700 -0.125 0.000 2.558 4486 S HA -0.010 4.459 4.470 -0.001 0.000 0.287 4486 S C 1.210 175.771 174.600 -0.065 0.000 1.321 4486 S CA 0.208 58.362 58.200 -0.076 0.000 1.048 4486 S CB 0.652 63.830 63.200 -0.037 0.000 0.844 4486 S HN 0.873 nan 8.310 nan 0.000 0.512 4487 E N 1.881 122.051 120.200 -0.050 0.000 2.171 4487 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 4487 E C 1.956 178.531 176.600 -0.042 0.000 0.997 4487 E CA 1.882 58.256 56.400 -0.043 0.000 0.810 4487 E CB -0.139 29.544 29.700 -0.028 0.000 0.738 4487 E HN 0.836 nan 8.360 nan 0.000 0.467 4488 E N 0.206 120.387 120.200 -0.032 0.000 2.046 4488 E HA -0.237 4.113 4.350 -0.001 0.000 0.190 4488 E C 2.092 178.649 176.600 -0.072 0.000 0.982 4488 E CA 1.229 57.610 56.400 -0.032 0.000 0.800 4488 E CB -0.342 29.361 29.700 0.006 0.000 0.756 4488 E HN 0.371 nan 8.360 nan 0.000 0.449 4489 E N 0.412 120.580 120.200 -0.053 0.000 2.171 4489 E HA -0.191 4.158 4.350 -0.001 0.000 0.197 4489 E C 2.099 178.630 176.600 -0.116 0.000 0.997 4489 E CA 1.421 57.763 56.400 -0.097 0.000 0.810 4489 E CB -0.089 29.610 29.700 -0.001 0.000 0.738 4489 E HN 0.462 nan 8.360 nan 0.000 0.467 4490 I N 0.011 120.507 120.570 -0.123 0.000 2.439 4490 I HA -0.193 3.976 4.170 -0.001 0.000 0.251 4490 I C 2.738 178.840 176.117 -0.025 0.000 1.139 4490 I CA 0.505 61.705 61.300 -0.167 0.000 1.438 4490 I CB -0.267 37.608 38.000 -0.207 0.000 1.085 4490 I HN 0.086 nan 8.210 nan 0.000 0.427 4491 R N 0.746 121.223 120.500 -0.039 0.000 2.070 4491 R HA -0.179 4.160 4.340 -0.001 0.000 0.233 4491 R C 2.334 178.603 176.300 -0.053 0.000 1.137 4491 R CA 1.396 57.481 56.100 -0.025 0.000 0.945 4491 R CB -0.638 29.638 30.300 -0.041 0.000 0.845 4491 R HN 0.217 nan 8.270 nan 0.000 0.430 4492 L N 0.739 121.893 121.223 -0.115 0.000 2.129 4492 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 4492 L C 2.236 179.051 176.870 -0.091 0.000 1.087 4492 L CA 1.886 56.631 54.840 -0.158 0.000 0.757 4492 L CB -0.582 41.263 42.059 -0.356 0.000 0.896 4492 L HN 0.044 nan 8.230 nan 0.000 0.434 4493 S N -1.336 114.345 115.700 -0.032 0.000 2.388 4493 S HA -0.098 4.371 4.470 -0.001 0.000 0.223 4493 S C 2.006 176.602 174.600 -0.007 0.000 1.034 4493 S CA 0.685 58.899 58.200 0.023 0.000 0.963 4493 S CB -0.114 63.202 63.200 0.194 0.000 0.827 4493 S HN 0.491 nan 8.310 nan 0.000 0.481 4494 K N 0.624 121.046 120.400 0.038 0.000 2.103 4494 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 4494 K C 2.227 178.761 176.600 -0.111 0.000 1.048 4494 K CA 1.526 57.777 56.287 -0.059 0.000 0.930 4494 K CB -0.278 32.224 32.500 0.003 0.000 0.716 4494 K HN 0.445 nan 8.250 nan 0.000 0.444 4495 M N 0.665 120.195 119.600 -0.116 0.000 2.059 4495 M HA -0.183 4.296 4.480 -0.001 0.000 0.259 4495 M C 2.109 178.308 176.300 -0.168 0.000 1.072 4495 M CA 1.565 56.738 55.300 -0.211 0.000 1.117 4495 M CB -0.048 32.449 32.600 -0.171 0.000 1.320 4495 M HN -0.077 nan 8.290 nan 0.000 0.408 4496 V N 1.081 120.957 119.914 -0.064 0.000 2.324 4496 V HA -0.356 3.763 4.120 -0.001 0.000 0.250 4496 V C 2.440 178.508 176.094 -0.044 0.000 1.060 4496 V CA 2.124 64.390 62.300 -0.057 0.000 1.042 4496 V CB -0.713 30.893 31.823 -0.361 0.000 0.650 4496 V HN 0.574 nan 8.190 nan 0.000 0.450 4497 M N -1.172 118.351 119.600 -0.128 0.000 2.117 4497 M HA -0.156 4.323 4.480 -0.001 0.000 0.262 4497 M C 2.362 178.697 176.300 0.057 0.000 1.065 4497 M CA 1.623 56.871 55.300 -0.087 0.000 1.114 4497 M CB -0.518 31.974 32.600 -0.181 0.000 1.361 4497 M HN 0.225 nan 8.290 nan 0.000 0.408 4498 K N 0.377 120.784 120.400 0.013 0.000 2.002 4498 K HA -0.079 4.240 4.320 -0.001 0.000 0.209 4498 K C 1.869 178.585 176.600 0.194 0.000 1.048 4498 K CA 1.591 57.896 56.287 0.029 0.000 0.930 4498 K CB -0.689 31.751 32.500 -0.100 0.000 0.714 4498 K HN 0.324 nan 8.250 nan 0.000 0.438 4499 F N -0.043 120.059 119.950 0.254 0.000 2.063 4499 F HA -0.307 4.219 4.527 -0.001 0.000 0.298 4499 F C 2.598 178.595 175.800 0.329 0.000 1.109 4499 F CA 0.896 59.112 58.000 0.360 0.000 1.212 4499 F CB -0.282 39.109 39.000 0.652 0.000 0.973 4499 F HN 0.266 nan 8.300 nan 0.000 0.480 4500 W N -0.093 121.336 121.300 0.215 0.000 2.335 4500 W HA -0.235 4.425 4.660 -0.001 0.000 0.311 4500 W C 2.573 179.105 176.519 0.022 0.000 1.213 4500 W CA 1.055 58.437 57.345 0.061 0.000 1.274 4500 W CB -0.583 28.848 29.460 -0.050 0.000 1.148 4500 W HN -0.013 nan 8.180 nan 0.000 0.498 4501 A N -0.024 122.926 122.820 0.217 0.000 2.066 4501 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 4501 A C 1.627 179.258 177.584 0.077 0.000 1.157 4501 A CA 1.257 53.346 52.037 0.087 0.000 0.670 4501 A CB -0.703 18.330 19.000 0.055 0.000 0.804 4501 A HN 0.205 nan 8.150 nan 0.000 0.453 4502 N N -1.025 117.752 118.700 0.129 0.000 2.270 4502 N HA -0.067 4.672 4.740 -0.001 0.000 0.181 4502 N C 1.263 176.806 175.510 0.054 0.000 1.016 4502 N CA 0.976 54.083 53.050 0.096 0.000 0.870 4502 N CB -0.440 38.140 38.487 0.155 0.000 0.979 4502 N HN 0.515 nan 8.380 nan 0.000 0.431 4503 F N 1.658 121.536 119.950 -0.120 0.000 2.163 4503 F HA 0.078 4.604 4.527 -0.001 0.000 0.297 4503 F C 2.126 177.846 175.800 -0.134 0.000 1.094 4503 F CA 0.936 58.805 58.000 -0.219 0.000 1.290 4503 F CB -0.494 38.283 39.000 -0.371 0.000 1.017 4503 F HN 0.003 nan 8.300 nan 0.000 0.483 4504 A N 0.391 123.161 122.820 -0.083 0.000 2.024 4504 A HA -0.195 4.124 4.320 -0.001 0.000 0.220 4504 A C 2.349 179.849 177.584 -0.141 0.000 1.164 4504 A CA 1.755 53.713 52.037 -0.131 0.000 0.643 4504 A CB -0.639 18.323 19.000 -0.063 0.000 0.806 4504 A HN 0.462 nan 8.150 nan 0.000 0.451 4505 R N -0.943 119.491 120.500 -0.110 0.000 2.066 4505 R HA 0.032 4.372 4.340 -0.001 0.000 0.224 4505 R C 0.171 176.400 176.300 -0.119 0.000 1.122 4505 R CA 1.287 57.334 56.100 -0.087 0.000 0.974 4505 R CB 0.006 30.282 30.300 -0.039 0.000 0.871 4505 R HN 0.524 nan 8.270 nan 0.000 0.435 4506 N N -1.070 117.540 118.700 -0.150 0.000 2.387 4506 N HA 0.094 4.833 4.740 -0.001 0.000 0.259 4506 N C -0.064 175.333 175.510 -0.188 0.000 1.369 4506 N CA 0.547 53.517 53.050 -0.134 0.000 0.867 4506 N CB 1.884 40.335 38.487 -0.061 0.000 1.341 4506 N HN 0.288 nan 8.380 nan 0.000 0.495 4507 G N 1.902 110.447 108.800 -0.425 0.000 2.283 4507 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.280 4507 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.280 4507 G C -0.118 174.714 174.900 -0.114 0.000 1.029 4507 G CA 0.772 45.539 45.100 -0.555 0.000 0.840 4507 G HN 0.593 nan 8.290 nan 0.000 0.505 4508 N N -1.066 117.567 118.700 -0.111 0.000 2.600 4508 N HA 0.438 5.177 4.740 -0.001 0.000 0.272 4508 N C -1.383 174.026 175.510 -0.169 0.000 1.095 4508 N CA -1.002 51.963 53.050 -0.143 0.000 0.993 4508 N CB 1.664 40.150 38.487 -0.003 0.000 1.603 4508 N HN -0.127 nan 8.380 nan 0.000 0.526 4509 P HA -0.059 nan 4.420 nan 0.000 0.225 4509 P C -0.576 176.823 177.300 0.166 0.000 1.156 4509 P CA 0.557 63.548 63.100 -0.181 0.000 0.787 4509 P CB 0.105 31.374 31.700 -0.720 0.000 0.802 4510 N N 0.887 119.632 118.700 0.074 0.000 2.395 4510 N HA 0.240 4.980 4.740 -0.001 0.000 0.246 4510 N C 0.925 176.556 175.510 0.202 0.000 1.246 4510 N CA 1.169 54.361 53.050 0.238 0.000 0.879 4510 N CB 0.438 39.042 38.487 0.194 0.000 1.098 4510 N HN 0.160 nan 8.380 nan 0.000 0.444 4511 G N 0.208 109.135 108.800 0.213 0.000 2.523 4511 G HA2 0.186 4.145 3.960 -0.001 0.000 0.291 4511 G HA3 0.186 4.145 3.960 -0.001 0.000 0.291 4511 G C -1.455 173.511 174.900 0.110 0.000 1.450 4511 G CA -0.708 44.470 45.100 0.130 0.000 0.790 4511 G HN 0.421 nan 8.290 nan 0.000 0.496 4512 E N -0.452 119.792 120.200 0.073 0.000 2.360 4512 E HA 0.411 4.761 4.350 -0.001 0.000 0.269 4512 E C 1.108 177.728 176.600 0.033 0.000 1.022 4512 E CA 0.971 57.405 56.400 0.058 0.000 0.887 4512 E CB 1.065 30.792 29.700 0.044 0.000 0.990 4512 E HN 1.637 nan 8.360 nan 0.000 0.426 4513 G N 2.572 111.391 108.800 0.032 0.000 2.141 4513 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.242 4513 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.242 4513 G C -0.141 174.746 174.900 -0.023 0.000 0.982 4513 G CA -0.117 44.986 45.100 0.005 0.000 0.662 4513 G HN 0.346 nan 8.290 nan 0.000 0.527 4514 L N -0.035 121.193 121.223 0.008 0.000 2.401 4514 L HA 0.569 4.908 4.340 -0.001 0.000 0.266 4514 L C -2.196 174.781 176.870 0.178 0.000 0.991 4514 L CA -2.441 52.385 54.840 -0.023 0.000 0.818 4514 L CB 2.030 43.973 42.059 -0.194 0.000 1.321 4514 L HN -0.161 nan 8.230 nan 0.000 0.413 4515 P HA -0.016 nan 4.420 nan 0.000 0.265 4515 P C -0.791 176.748 177.300 0.398 0.000 1.187 4515 P CA -0.068 63.203 63.100 0.284 0.000 0.766 4515 P CB 0.235 32.082 31.700 0.245 0.000 0.820 4516 H N 2.207 121.415 119.070 0.230 0.000 2.928 4516 H HA 0.130 4.685 4.556 -0.001 0.000 0.338 4516 H C -1.014 174.488 175.328 0.289 0.000 1.047 4516 H CA 0.282 56.481 56.048 0.251 0.000 1.435 4516 H CB 0.220 30.086 29.762 0.173 0.000 1.428 4516 H HN 0.367 nan 8.280 nan 0.000 0.590 4517 W N 9.408 130.368 121.300 -0.566 0.000 2.362 4517 W HA 0.327 4.986 4.660 -0.001 0.000 0.316 4517 W C -2.875 173.342 176.519 -0.503 0.000 1.024 4517 W CA -3.187 53.907 57.345 -0.418 0.000 1.270 4517 W CB 1.142 30.350 29.460 -0.420 0.000 1.273 4517 W HN 0.563 nan 8.180 nan 0.000 0.424 4518 P HA 0.068 nan 4.420 nan 0.000 0.275 4518 P C -0.390 177.107 177.300 0.329 0.000 1.227 4518 P CA 0.078 63.302 63.100 0.208 0.000 0.781 4518 P CB 1.506 33.355 31.700 0.248 0.000 0.906 4519 E N 2.531 122.841 120.200 0.183 0.000 2.360 4519 E HA -0.051 4.298 4.350 -0.001 0.000 0.269 4519 E C -0.879 175.709 176.600 -0.020 0.000 1.022 4519 E CA -0.491 55.819 56.400 -0.151 0.000 0.887 4519 E CB 0.155 29.723 29.700 -0.220 0.000 0.990 4519 E HN 0.361 nan 8.360 nan 0.000 0.426 4520 Y N 6.207 126.397 120.300 -0.184 0.000 2.517 4520 Y HA 0.025 4.574 4.550 -0.001 0.000 0.341 4520 Y C -0.274 175.596 175.900 -0.049 0.000 1.247 4520 Y CA -0.132 57.947 58.100 -0.035 0.000 1.774 4520 Y CB -0.727 37.719 38.460 -0.022 0.000 1.641 4520 Y HN 0.534 nan 8.280 nan 0.000 0.457 4521 N N 0.301 118.886 118.700 -0.193 0.000 2.786 4521 N HA 0.097 4.836 4.740 -0.001 0.000 0.315 4521 N C 0.743 176.102 175.510 -0.251 0.000 1.359 4521 N CA -0.355 52.596 53.050 -0.164 0.000 0.846 4521 N CB 0.156 38.594 38.487 -0.083 0.000 1.117 4521 N HN 0.198 nan 8.380 nan 0.000 0.541 4522 Q N -0.327 119.387 119.800 -0.144 0.000 2.291 4522 Q HA -0.019 4.320 4.340 -0.001 0.000 0.206 4522 Q C 1.001 176.919 176.000 -0.137 0.000 0.976 4522 Q CA 1.265 56.991 55.803 -0.128 0.000 0.875 4522 Q CB -0.325 28.372 28.738 -0.067 0.000 0.927 4522 Q HN 0.614 nan 8.270 nan 0.000 0.450 4523 K N 0.467 120.791 120.400 -0.125 0.000 2.365 4523 K HA -0.027 4.292 4.320 -0.001 0.000 0.197 4523 K C -0.056 176.470 176.600 -0.123 0.000 1.042 4523 K CA 0.041 56.279 56.287 -0.082 0.000 0.987 4523 K CB 0.283 32.766 32.500 -0.029 0.000 0.779 4523 K HN 0.203 nan 8.250 nan 0.000 0.484 4524 E N -0.085 119.917 120.200 -0.330 0.000 2.389 4524 E HA -0.156 4.193 4.350 -0.001 0.000 0.243 4524 E C 0.049 176.664 176.600 0.025 0.000 1.154 4524 E CA 0.105 56.164 56.400 -0.569 0.000 0.723 4524 E CB -1.639 27.848 29.700 -0.356 0.000 1.261 4524 E HN 0.495 nan 8.360 nan 0.000 0.390 4525 G N 0.413 109.267 108.800 0.090 0.000 2.569 4525 G HA2 0.431 4.391 3.960 -0.001 0.000 0.249 4525 G HA3 0.431 4.391 3.960 -0.001 0.000 0.249 4525 G C -0.301 174.893 174.900 0.490 0.000 1.216 4525 G CA 0.233 45.472 45.100 0.232 0.000 0.845 4525 G HN 0.323 nan 8.290 nan 0.000 0.568 4526 Y N -0.951 119.499 120.300 0.250 0.000 2.750 4526 Y HA 0.670 5.220 4.550 -0.001 0.000 0.335 4526 Y C -1.694 174.225 175.900 0.030 0.000 1.252 4526 Y CA -1.719 56.539 58.100 0.264 0.000 1.064 4526 Y CB 1.202 39.804 38.460 0.237 0.000 1.321 4526 Y HN 0.604 nan 8.280 nan 0.000 0.451 4527 L N 2.164 123.365 121.223 -0.036 0.000 2.322 4527 L HA 0.520 4.859 4.340 -0.001 0.000 0.279 4527 L C -0.771 176.048 176.870 -0.086 0.000 1.036 4527 L CA -0.425 54.137 54.840 -0.463 0.000 0.807 4527 L CB 1.834 43.012 42.059 -1.470 0.000 1.226 4527 L HN 0.774 nan 8.230 nan 0.000 0.433 4528 Q N 5.143 124.858 119.800 -0.142 0.000 2.372 4528 Q HA 0.494 4.833 4.340 -0.001 0.000 0.259 4528 Q C -1.158 174.802 176.000 -0.067 0.000 0.993 4528 Q CA -0.229 55.581 55.803 0.013 0.000 0.854 4528 Q CB 1.532 30.264 28.738 -0.010 0.000 1.231 4528 Q HN 0.564 nan 8.270 nan 0.000 0.462 4529 I N 2.020 122.561 120.570 -0.049 0.000 2.336 4529 I HA 0.667 4.836 4.170 -0.001 0.000 0.292 4529 I C 0.633 176.560 176.117 -0.316 0.000 0.991 4529 I CA -0.264 60.960 61.300 -0.127 0.000 1.227 4529 I CB 1.514 39.497 38.000 -0.028 0.000 1.366 4529 I HN 0.728 nan 8.210 nan 0.000 0.466 4530 G N 3.277 111.918 108.800 -0.264 0.000 2.393 4530 G HA2 0.386 4.345 3.960 -0.001 0.000 0.264 4530 G HA3 0.386 4.345 3.960 -0.001 0.000 0.264 4530 G C 0.239 175.057 174.900 -0.136 0.000 1.221 4530 G CA 0.135 45.074 45.100 -0.268 0.000 0.912 4530 G HN 0.523 nan 8.290 nan 0.000 0.483 4531 A N -0.681 122.149 122.820 0.016 0.000 1.972 4531 A HA 0.171 4.490 4.320 -0.001 0.000 0.219 4531 A C 0.879 178.456 177.584 -0.012 0.000 1.169 4531 A CA 1.340 53.395 52.037 0.031 0.000 0.635 4531 A CB -0.332 18.742 19.000 0.123 0.000 0.810 4531 A HN 0.396 nan 8.150 nan 0.000 0.446 4532 N N 0.654 119.344 118.700 -0.017 0.000 2.518 4532 N HA 0.287 5.026 4.740 -0.001 0.000 0.254 4532 N C -1.458 174.033 175.510 -0.031 0.000 0.979 4532 N CA 0.054 53.093 53.050 -0.018 0.000 0.930 4532 N CB 1.463 39.945 38.487 -0.009 0.000 1.152 4532 N HN 0.043 nan 8.380 nan 0.000 0.505 4533 T N 3.200 117.739 114.554 -0.025 0.000 2.749 4533 T HA 0.415 4.764 4.350 -0.001 0.000 0.287 4533 T C -0.030 174.661 174.700 -0.014 0.000 0.970 4533 T CA -0.615 61.469 62.100 -0.026 0.000 0.980 4533 T CB 1.009 69.882 68.868 0.009 0.000 0.924 4533 T HN 0.426 nan 8.240 nan 0.000 0.456 4534 Q N 1.749 121.517 119.800 -0.054 0.000 2.578 4534 Q HA 0.650 4.989 4.340 -0.001 0.000 0.284 4534 Q C -1.250 174.673 176.000 -0.128 0.000 0.960 4534 Q CA -1.093 54.680 55.803 -0.051 0.000 0.809 4534 Q CB 1.220 29.943 28.738 -0.025 0.000 1.462 4534 Q HN 0.587 nan 8.270 nan 0.000 0.392 4535 A N 0.743 123.501 122.820 -0.104 0.000 2.429 4535 A HA 0.774 5.093 4.320 -0.001 0.000 0.242 4535 A C -0.020 177.403 177.584 -0.268 0.000 1.088 4535 A CA 0.698 52.631 52.037 -0.173 0.000 0.784 4535 A CB -0.078 18.908 19.000 -0.023 0.000 1.038 4535 A HN 1.411 nan 8.150 nan 0.000 0.501 4536 A N -0.305 122.233 122.820 -0.470 0.000 2.524 4536 A HA 0.744 5.063 4.320 -0.001 0.000 0.303 4536 A C -0.996 176.357 177.584 -0.385 0.000 1.195 4536 A CA -0.518 51.208 52.037 -0.518 0.000 0.651 4536 A CB 0.867 19.365 19.000 -0.838 0.000 1.323 4536 A HN 0.839 nan 8.150 nan 0.000 0.479 4537 Q N -0.038 119.704 119.800 -0.097 0.000 2.377 4537 Q HA 0.500 4.840 4.340 -0.001 0.000 0.279 4537 Q C -1.588 174.628 176.000 0.361 0.000 1.049 4537 Q CA -0.945 54.968 55.803 0.182 0.000 0.825 4537 Q CB 2.183 30.974 28.738 0.087 0.000 1.401 4537 Q HN 0.648 nan 8.270 nan 0.000 0.404 4538 K N 1.425 122.033 120.400 0.347 0.000 4.868 4538 K HA -0.210 4.110 4.320 -0.001 0.000 0.314 4538 K C -0.855 175.901 176.600 0.261 0.000 0.932 4538 K CA 0.038 56.480 56.287 0.258 0.000 0.998 4538 K CB -0.960 31.633 32.500 0.156 0.000 1.704 4538 K HN 0.464 nan 8.250 nan 0.000 0.426 4539 L N 2.861 124.175 121.223 0.152 0.000 2.410 4539 L HA 0.089 4.428 4.340 -0.001 0.000 0.273 4539 L C 0.670 177.525 176.870 -0.024 0.000 1.152 4539 L CA 0.392 55.128 54.840 -0.174 0.000 0.855 4539 L CB 0.580 42.218 42.059 -0.703 0.000 1.129 4539 L HN 0.338 nan 8.230 nan 0.000 0.463 4540 K N 2.725 123.131 120.400 0.010 0.000 2.914 4540 K HA -0.298 4.021 4.320 -0.001 0.000 0.253 4540 K C 0.920 177.585 176.600 0.109 0.000 0.986 4540 K CA 1.175 57.503 56.287 0.069 0.000 0.730 4540 K CB -1.355 31.179 32.500 0.057 0.000 1.228 4540 K HN 0.942 nan 8.250 nan 0.000 0.483 4541 D N 1.022 121.487 120.400 0.109 0.000 2.103 4541 D HA -0.153 4.486 4.640 -0.001 0.000 0.190 4541 D C 1.544 177.918 176.300 0.123 0.000 0.997 4541 D CA 1.788 55.859 54.000 0.118 0.000 0.833 4541 D CB 0.193 41.059 40.800 0.108 0.000 0.961 4541 D HN 0.483 nan 8.370 nan 0.000 0.447 4542 K N -0.279 120.187 120.400 0.109 0.000 2.097 4542 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 4542 K C 2.186 178.893 176.600 0.179 0.000 1.049 4542 K CA 1.241 57.593 56.287 0.108 0.000 0.933 4542 K CB -0.034 32.497 32.500 0.053 0.000 0.717 4542 K HN 0.140 nan 8.250 nan 0.000 0.442 4543 E N 0.532 120.866 120.200 0.223 0.000 2.077 4543 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 4543 E C 2.004 178.904 176.600 0.500 0.000 0.989 4543 E CA 0.934 57.584 56.400 0.416 0.000 0.800 4543 E CB -0.338 29.609 29.700 0.412 0.000 0.746 4543 E HN -0.009 nan 8.360 nan 0.000 0.452 4544 V N 1.058 121.163 119.914 0.318 0.000 2.261 4544 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 4544 V C 2.230 178.466 176.094 0.236 0.000 1.047 4544 V CA 1.926 64.389 62.300 0.271 0.000 1.015 4544 V CB -0.928 31.000 31.823 0.175 0.000 0.642 4544 V HN 0.378 nan 8.190 nan 0.000 0.446 4545 A N -0.377 122.553 122.820 0.184 0.000 1.883 4545 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 4545 A C 2.132 179.781 177.584 0.107 0.000 1.186 4545 A CA 2.272 54.387 52.037 0.129 0.000 0.624 4545 A CB -0.814 18.251 19.000 0.109 0.000 0.822 4545 A HN 0.543 nan 8.150 nan 0.000 0.444 4546 F N -0.843 119.112 119.950 0.007 0.000 2.095 4546 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 4546 F C 1.930 177.589 175.800 -0.235 0.000 1.104 4546 F CA 1.808 59.719 58.000 -0.148 0.000 1.232 4546 F CB -0.552 38.298 39.000 -0.250 0.000 0.987 4546 F HN 0.389 nan 8.300 nan 0.000 0.475 4547 W N 0.285 121.464 121.300 -0.201 0.000 2.443 4547 W HA -0.058 4.601 4.660 -0.001 0.000 0.296 4547 W C 2.620 179.054 176.519 -0.142 0.000 1.202 4547 W CA 1.620 58.768 57.345 -0.330 0.000 1.312 4547 W CB -1.150 28.311 29.460 0.002 0.000 1.120 4547 W HN -0.187 nan 8.180 nan 0.000 0.536 4548 T N 0.212 114.894 114.554 0.212 0.000 2.737 4548 T HA -0.306 4.043 4.350 -0.001 0.000 0.269 4548 T C 1.402 176.146 174.700 0.075 0.000 1.040 4548 T CA 1.953 64.163 62.100 0.182 0.000 1.142 4548 T CB -0.546 68.397 68.868 0.127 0.000 0.861 4548 T HN 0.210 nan 8.240 nan 0.000 0.456 4549 N N 0.335 119.000 118.700 -0.058 0.000 2.171 4549 N HA -0.017 4.722 4.740 -0.001 0.000 0.184 4549 N C 1.720 177.115 175.510 -0.191 0.000 1.021 4549 N CA 0.569 53.551 53.050 -0.113 0.000 0.854 4549 N CB -0.347 38.056 38.487 -0.139 0.000 0.994 4549 N HN 0.161 nan 8.380 nan 0.000 0.426 4550 L N -0.021 120.945 121.223 -0.428 0.000 1.961 4550 L HA -0.007 4.333 4.340 -0.001 0.000 0.210 4550 L C 1.715 178.452 176.870 -0.221 0.000 1.072 4550 L CA 1.716 56.267 54.840 -0.481 0.000 0.749 4550 L CB -1.162 40.341 42.059 -0.928 0.000 0.889 4550 L HN 0.227 nan 8.230 nan 0.000 0.432 4551 F N 0.214 120.141 119.950 -0.039 0.000 2.043 4551 F HA -0.297 4.229 4.527 -0.001 0.000 0.297 4551 F C 2.333 178.135 175.800 0.003 0.000 1.118 4551 F CA 1.206 59.222 58.000 0.026 0.000 1.202 4551 F CB -0.890 38.144 39.000 0.056 0.000 0.965 4551 F HN 0.225 nan 8.300 nan 0.000 0.482 4552 A N -0.341 122.598 122.820 0.197 0.000 2.265 4552 A HA -0.124 4.196 4.320 -0.001 0.000 0.203 4552 A C 1.745 179.359 177.584 0.050 0.000 1.285 4552 A CA 0.839 52.936 52.037 0.100 0.000 0.839 4552 A CB -0.778 18.265 19.000 0.072 0.000 0.758 4552 A HN 0.368 nan 8.150 nan 0.000 0.502 4553 K N -0.437 119.987 120.400 0.040 0.000 2.393 4553 K HA 0.065 4.385 4.320 -0.001 0.000 0.193 4553 K C 1.288 177.906 176.600 0.030 0.000 1.026 4553 K CA 0.622 56.917 56.287 0.013 0.000 1.064 4553 K CB -0.058 32.431 32.500 -0.019 0.000 0.833 4553 K HN 0.559 nan 8.250 nan 0.000 0.521 4554 K N 0.000 120.433 120.400 0.055 0.000 2.780 4554 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 4554 K CA 0.000 56.320 56.287 0.054 0.000 0.838 4554 K CB 0.000 32.542 32.500 0.071 0.000 1.064 4554 K HN 0.000 nan 8.250 nan 0.000 0.543