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 3la4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLSPREVEK LGLHNAGYLA QKRLARGVRL NYTEAVALIA SQIMEYARDG DATA SEQUENCE EKTVAQLMXL GQHLLGRRQV LPAVPHLLNA VQVEATFPDG TKLVTVHDPI DATA SEQUENCE SRENGELQEA LFGSLLPVPS LDKFAEXXXD NRIPGEILCE DECLTLNIGR DATA SEQUENCE KAVILKVTSK GDRPIQVGSH YHFIEVNPYL TFDRRKAYGM RLNIAAGTAV DATA SEQUENCE RFEPGDXKSV TLVSIEGNKV IRGGNAIADG PVNETNLEAA MHAVRSKGFG DATA SEQUENCE HEEEKDASEG FTKEDPNCPF NTFIHRKEYA NKYGPTTGDK IRLGDTNLLA DATA SEQUENCE EIEKDYALYG DECVFGGGKV IRDGMGQSCG HPPAISLDTV ITNAVIIDYT DATA SEQUENCE GIIKADIGIK DGLIASIGKA GNPDIMNGVF SNMIIGANTE VIAGEGLIVT DATA SEQUENCE AGAIDCHVHY ICPQLVYEAI SSGITTLVGG GTGPAAGTRA TTCTPSPTQM DATA SEQUENCE RLMLQSTDDL PLNFGFTGKG SSSKPDELHE IIKAGAMGLX LHEDWGSTPA DATA SEQUENCE AIDNCLTIAE HHDIQINIHT DTLNEAGFVE HSIAAFKGRT IHTYHSEGAG DATA SEQUENCE GGHAPDIIKV CGIKNVLPSS TNPTRPLTSN TIDEHLDMLM VXHHLDREIP DATA SEQUENCE EDLAFAHSRI RKKTIAAEDV LNDIGAISII SSDSQAMGRV GEVISRTWQT DATA SEQUENCE ADKMKAQTGP LKCDSSDNDN FRIRRYIAKY TINPAIANGF SQYVGSVEVG DATA SEQUENCE KLADLVMWKP SFFGTKPEMV IKGGMVAWAD IGDPNASIPT PEPVKMRPMY DATA SEQUENCE GTLGKAGGAL SIAFVSKAAL DQRVNVLYGL NKRVEAVSNV RKLTKLDMKL DATA SEQUENCE NDALPEITVD PESYTVKADG KLLCVSEATT VPLSRNYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.291 176.300 -0.016 0.000 1.140 1 M CA 0.000 55.289 55.300 -0.018 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 K N 2.398 122.790 120.400 -0.013 0.000 3.257 2 K HA -0.125 4.195 4.320 0.000 0.000 0.270 2 K C -0.789 175.803 176.600 -0.012 0.000 0.984 2 K CA 0.523 56.803 56.287 -0.011 0.000 0.739 2 K CB -2.148 30.346 32.500 -0.010 0.000 1.351 2 K HN 0.458 nan 8.250 nan 0.000 0.463 3 L N 1.710 122.925 121.223 -0.013 0.000 2.410 3 L HA 0.061 4.401 4.340 0.000 0.000 0.273 3 L C 1.364 178.227 176.870 -0.011 0.000 1.144 3 L CA -0.109 54.723 54.840 -0.014 0.000 0.863 3 L CB 0.823 42.873 42.059 -0.015 0.000 1.140 3 L HN 0.354 nan 8.230 nan 0.000 0.463 4 S N 2.712 118.406 115.700 -0.010 0.000 2.652 4 S HA 0.362 4.832 4.470 0.000 0.000 0.270 4 S C -1.892 172.702 174.600 -0.010 0.000 1.243 4 S CA -1.292 56.903 58.200 -0.009 0.000 0.999 4 S CB 1.314 64.510 63.200 -0.006 0.000 0.973 4 S HN 0.380 nan 8.310 nan 0.000 0.544 5 P HA -0.189 nan 4.420 nan 0.000 0.216 5 P C 1.616 178.910 177.300 -0.010 0.000 1.153 5 P CA 1.483 64.574 63.100 -0.014 0.000 0.858 5 P CB -0.077 31.611 31.700 -0.020 0.000 0.789 6 R N 0.209 120.705 120.500 -0.007 0.000 2.120 6 R HA -0.102 4.238 4.340 0.000 0.000 0.234 6 R C 1.848 178.148 176.300 -0.000 0.000 1.123 6 R CA 1.447 57.546 56.100 -0.002 0.000 0.975 6 R CB -1.163 29.139 30.300 0.003 0.000 0.866 6 R HN 0.208 nan 8.270 nan 0.000 0.446 7 E N 1.028 121.225 120.200 -0.005 0.000 2.072 7 E HA -0.110 4.240 4.350 0.000 0.000 0.191 7 E C 2.102 178.698 176.600 -0.007 0.000 0.985 7 E CA 1.404 57.798 56.400 -0.009 0.000 0.801 7 E CB 0.048 29.738 29.700 -0.015 0.000 0.750 7 E HN 0.146 nan 8.360 nan 0.000 0.452 8 V N 1.668 121.579 119.914 -0.005 0.000 2.343 8 V HA -0.247 3.873 4.120 0.000 0.000 0.247 8 V C 2.211 178.310 176.094 0.009 0.000 1.051 8 V CA 1.678 63.978 62.300 -0.001 0.000 1.036 8 V CB -0.422 31.399 31.823 -0.003 0.000 0.654 8 V HN 0.240 nan 8.190 nan 0.000 0.451 9 E N 0.073 120.278 120.200 0.008 0.000 2.058 9 E HA -0.219 4.131 4.350 0.000 0.000 0.194 9 E C 2.308 178.925 176.600 0.028 0.000 0.997 9 E CA 1.103 57.512 56.400 0.016 0.000 0.801 9 E CB -0.167 29.538 29.700 0.009 0.000 0.746 9 E HN 0.437 nan 8.360 nan 0.000 0.450 10 K N 0.734 121.148 120.400 0.024 0.000 2.209 10 K HA -0.122 4.198 4.320 0.000 0.000 0.204 10 K C 2.135 178.768 176.600 0.056 0.000 1.048 10 K CA 0.343 56.651 56.287 0.035 0.000 0.940 10 K CB -0.454 32.058 32.500 0.019 0.000 0.729 10 K HN 0.113 nan 8.250 nan 0.000 0.451 11 L N 0.740 121.985 121.223 0.037 0.000 2.093 11 L HA -0.007 4.333 4.340 0.000 0.000 0.208 11 L C 2.033 178.962 176.870 0.098 0.000 1.085 11 L CA 1.979 56.849 54.840 0.049 0.000 0.755 11 L CB -1.009 41.056 42.059 0.012 0.000 0.904 11 L HN 0.184 nan 8.230 nan 0.000 0.435 12 G N -0.379 108.465 108.800 0.074 0.000 2.418 12 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 12 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 12 G C 1.560 176.516 174.900 0.094 0.000 1.158 12 G CA 0.901 46.050 45.100 0.082 0.000 0.771 12 G HN 0.417 nan 8.290 nan 0.000 0.545 13 L N 0.378 121.652 121.223 0.085 0.000 2.012 13 L HA -0.072 4.268 4.340 0.000 0.000 0.210 13 L C 2.502 179.424 176.870 0.087 0.000 1.073 13 L CA 2.705 57.590 54.840 0.075 0.000 0.748 13 L CB -1.088 41.009 42.059 0.064 0.000 0.891 13 L HN 0.443 nan 8.230 nan 0.000 0.431 14 H N -0.388 118.700 119.070 0.030 0.000 2.352 14 H HA -0.155 4.401 4.556 0.000 0.000 0.299 14 H C 2.061 177.432 175.328 0.072 0.000 1.097 14 H CA 2.400 58.467 56.048 0.032 0.000 1.311 14 H CB -0.213 29.547 29.762 -0.004 0.000 1.377 14 H HN 0.555 nan 8.280 nan 0.000 0.504 15 N N -0.343 118.424 118.700 0.111 0.000 2.104 15 N HA -0.192 4.548 4.740 0.000 0.000 0.190 15 N C 2.044 177.608 175.510 0.091 0.000 1.024 15 N CA 0.842 53.961 53.050 0.115 0.000 0.853 15 N CB -0.193 38.378 38.487 0.139 0.000 1.008 15 N HN 0.472 nan 8.380 nan 0.000 0.424 16 A N 0.920 123.784 122.820 0.072 0.000 1.902 16 A HA -0.029 4.291 4.320 0.000 0.000 0.217 16 A C 2.373 179.953 177.584 -0.006 0.000 1.181 16 A CA 1.769 53.839 52.037 0.056 0.000 0.623 16 A CB -1.198 17.835 19.000 0.056 0.000 0.818 16 A HN 0.403 nan 8.150 nan 0.000 0.443 17 G N -1.789 106.985 108.800 -0.042 0.000 2.418 17 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 17 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 17 G C 1.553 176.407 174.900 -0.077 0.000 1.158 17 G CA 1.282 46.336 45.100 -0.076 0.000 0.771 17 G HN 0.554 nan 8.290 nan 0.000 0.545 18 Y N 0.894 121.037 120.300 -0.262 0.000 2.242 18 Y HA -0.016 4.534 4.550 0.000 0.000 0.291 18 Y C 2.446 178.294 175.900 -0.087 0.000 1.137 18 Y CA 1.218 59.196 58.100 -0.202 0.000 1.181 18 Y CB -0.370 37.960 38.460 -0.217 0.000 0.989 18 Y HN 0.141 nan 8.280 nan 0.000 0.527 19 L N 0.739 121.915 121.223 -0.078 0.000 2.012 19 L HA -0.118 4.222 4.340 0.000 0.000 0.210 19 L C 2.400 179.170 176.870 -0.166 0.000 1.073 19 L CA 2.335 57.103 54.840 -0.121 0.000 0.748 19 L CB -1.308 40.748 42.059 -0.005 0.000 0.891 19 L HN 0.195 nan 8.230 nan 0.000 0.431 20 A N -1.074 121.671 122.820 -0.125 0.000 1.933 20 A HA -0.254 4.066 4.320 0.000 0.000 0.218 20 A C 2.198 179.721 177.584 -0.101 0.000 1.175 20 A CA 1.866 53.841 52.037 -0.104 0.000 0.628 20 A CB -0.606 18.348 19.000 -0.076 0.000 0.814 20 A HN 0.698 nan 8.150 nan 0.000 0.444 21 Q N -0.376 119.345 119.800 -0.133 0.000 2.084 21 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 21 Q C 2.070 177.968 176.000 -0.169 0.000 0.978 21 Q CA 1.633 57.366 55.803 -0.117 0.000 0.844 21 Q CB -0.189 28.490 28.738 -0.098 0.000 0.898 21 Q HN 0.640 nan 8.270 nan 0.000 0.426 22 K N 0.479 120.688 120.400 -0.318 0.000 2.057 22 K HA -0.109 4.211 4.320 0.000 0.000 0.206 22 K C 2.138 178.648 176.600 -0.150 0.000 1.050 22 K CA 0.949 57.068 56.287 -0.280 0.000 0.935 22 K CB -0.067 32.204 32.500 -0.382 0.000 0.715 22 K HN 0.105 nan 8.250 nan 0.000 0.439 23 R N 0.678 121.102 120.500 -0.128 0.000 2.073 23 R HA -0.123 4.217 4.340 0.000 0.000 0.234 23 R C 2.392 178.667 176.300 -0.041 0.000 1.134 23 R CA 1.056 57.109 56.100 -0.080 0.000 0.952 23 R CB -0.445 29.810 30.300 -0.075 0.000 0.850 23 R HN 0.095 nan 8.270 nan 0.000 0.433 24 L N 0.850 122.074 121.223 0.002 0.000 2.042 24 L HA -0.126 4.214 4.340 0.000 0.000 0.210 24 L C 2.233 179.151 176.870 0.079 0.000 1.076 24 L CA 1.976 56.890 54.840 0.122 0.000 0.749 24 L CB -0.571 41.565 42.059 0.129 0.000 0.893 24 L HN 0.147 nan 8.230 nan 0.000 0.432 25 A N 0.343 123.165 122.820 0.004 0.000 2.024 25 A HA -0.226 4.094 4.320 0.000 0.000 0.220 25 A C 2.234 179.766 177.584 -0.086 0.000 1.164 25 A CA 1.764 53.789 52.037 -0.020 0.000 0.643 25 A CB -0.699 18.277 19.000 -0.040 0.000 0.806 25 A HN 0.703 nan 8.150 nan 0.000 0.451 26 R N -1.739 118.689 120.500 -0.120 0.000 2.359 26 R HA 0.390 4.730 4.340 0.000 0.000 0.231 26 R C 0.988 177.124 176.300 -0.273 0.000 0.913 26 R CA 0.733 56.740 56.100 -0.154 0.000 1.075 26 R CB -0.420 29.815 30.300 -0.108 0.000 1.087 26 R HN 0.715 nan 8.270 nan 0.000 0.515 27 G N 0.560 109.088 108.800 -0.454 0.000 2.141 27 G HA2 -0.231 3.729 3.960 0.000 0.000 0.231 27 G HA3 -0.231 3.729 3.960 0.000 0.000 0.231 27 G C -0.016 174.576 174.900 -0.514 0.000 0.984 27 G CA -0.052 44.488 45.100 -0.933 0.000 0.660 27 G HN 0.161 nan 8.290 nan 0.000 0.525 28 V N 2.196 122.007 119.914 -0.172 0.000 2.637 28 V HA 0.274 4.395 4.120 0.000 0.000 0.296 28 V C 1.098 177.289 176.094 0.162 0.000 1.046 28 V CA -0.168 62.126 62.300 -0.011 0.000 1.066 28 V CB 0.979 32.794 31.823 -0.013 0.000 0.968 28 V HN 0.336 nan 8.190 nan 0.000 0.483 29 R N 5.516 126.108 120.500 0.154 0.000 2.220 29 R HA 0.359 4.699 4.340 0.000 0.000 0.340 29 R C -0.527 175.821 176.300 0.080 0.000 1.076 29 R CA -0.302 55.902 56.100 0.173 0.000 0.920 29 R CB 0.300 30.677 30.300 0.130 0.000 1.062 29 R HN 0.571 nan 8.270 nan 0.000 0.469 30 L N 3.484 124.746 121.223 0.064 0.000 2.461 30 L HA -0.001 4.339 4.340 0.000 0.000 0.272 30 L C 1.057 177.928 176.870 0.002 0.000 1.197 30 L CA -0.231 54.619 54.840 0.016 0.000 0.836 30 L CB -0.046 42.013 42.059 -0.001 0.000 1.105 30 L HN 0.604 nan 8.230 nan 0.000 0.477 31 N N 1.028 119.724 118.700 -0.007 0.000 2.448 31 N HA -0.018 4.722 4.740 0.000 0.000 0.274 31 N C 0.684 176.211 175.510 0.027 0.000 1.239 31 N CA -0.520 52.532 53.050 0.002 0.000 0.982 31 N CB 0.156 38.639 38.487 -0.008 0.000 1.199 31 N HN 0.601 nan 8.380 nan 0.000 0.576 32 Y N 0.398 120.661 120.300 -0.061 0.000 2.030 32 Y HA -0.312 4.238 4.550 0.000 0.000 0.272 32 Y C 1.983 177.901 175.900 0.030 0.000 1.185 32 Y CA 3.175 61.272 58.100 -0.004 0.000 1.120 32 Y CB -1.025 37.449 38.460 0.023 0.000 0.955 32 Y HN 0.595 nan 8.280 nan 0.000 0.495 33 T N 0.331 114.902 114.554 0.028 0.000 2.720 33 T HA -0.230 4.120 4.350 0.000 0.000 0.268 33 T C 1.567 176.190 174.700 -0.128 0.000 1.037 33 T CA 1.939 64.003 62.100 -0.060 0.000 1.144 33 T CB -0.361 68.564 68.868 0.095 0.000 0.864 33 T HN 0.526 nan 8.240 nan 0.000 0.444 34 E N 1.191 121.336 120.200 -0.092 0.000 2.106 34 E HA 0.027 4.378 4.350 0.000 0.000 0.192 34 E C 2.596 179.134 176.600 -0.104 0.000 0.984 34 E CA 0.839 57.182 56.400 -0.094 0.000 0.806 34 E CB -0.261 29.391 29.700 -0.081 0.000 0.750 34 E HN 0.502 nan 8.360 nan 0.000 0.458 35 A N 1.058 123.804 122.820 -0.124 0.000 1.877 35 A HA -0.156 4.164 4.320 0.000 0.000 0.216 35 A C 2.524 180.019 177.584 -0.148 0.000 1.186 35 A CA 1.254 53.220 52.037 -0.118 0.000 0.620 35 A CB -0.744 18.189 19.000 -0.111 0.000 0.822 35 A HN 0.118 nan 8.150 nan 0.000 0.443 36 V N -0.059 119.702 119.914 -0.255 0.000 2.295 36 V HA -0.268 3.852 4.120 0.000 0.000 0.246 36 V C 3.075 179.095 176.094 -0.122 0.000 1.049 36 V CA 2.022 64.183 62.300 -0.232 0.000 1.024 36 V CB -1.356 30.246 31.823 -0.369 0.000 0.648 36 V HN 0.626 nan 8.190 nan 0.000 0.447 37 A N -0.369 122.387 122.820 -0.107 0.000 1.883 37 A HA -0.233 4.087 4.320 0.000 0.000 0.217 37 A C 2.278 179.838 177.584 -0.040 0.000 1.186 37 A CA 2.308 54.312 52.037 -0.056 0.000 0.624 37 A CB -0.594 18.378 19.000 -0.048 0.000 0.822 37 A HN 0.510 nan 8.150 nan 0.000 0.444 38 L N -0.521 120.674 121.223 -0.046 0.000 2.005 38 L HA -0.133 4.207 4.340 0.000 0.000 0.207 38 L C 2.425 179.299 176.870 0.007 0.000 1.072 38 L CA 1.664 56.491 54.840 -0.022 0.000 0.744 38 L CB -0.259 41.787 42.059 -0.022 0.000 0.895 38 L HN 0.441 nan 8.230 nan 0.000 0.433 39 I N -0.021 120.545 120.570 -0.006 0.000 2.179 39 I HA -0.298 3.872 4.170 0.000 0.000 0.242 39 I C 2.749 178.885 176.117 0.032 0.000 1.088 39 I CA 1.202 62.510 61.300 0.013 0.000 1.357 39 I CB -0.580 37.409 38.000 -0.018 0.000 1.051 39 I HN 0.357 nan 8.210 nan 0.000 0.409 40 A N 0.018 122.844 122.820 0.011 0.000 1.902 40 A HA -0.184 4.136 4.320 0.000 0.000 0.217 40 A C 2.481 180.098 177.584 0.056 0.000 1.181 40 A CA 2.142 54.195 52.037 0.028 0.000 0.623 40 A CB -0.695 18.311 19.000 0.009 0.000 0.818 40 A HN 0.385 nan 8.150 nan 0.000 0.443 41 S N -0.338 115.392 115.700 0.050 0.000 2.383 41 S HA -0.146 4.324 4.470 0.000 0.000 0.227 41 S C 2.121 176.788 174.600 0.112 0.000 1.026 41 S CA 1.268 59.515 58.200 0.077 0.000 0.981 41 S CB -0.254 62.955 63.200 0.016 0.000 0.818 41 S HN 0.573 nan 8.310 nan 0.000 0.472 42 Q N 0.716 120.589 119.800 0.123 0.000 2.119 42 Q HA 0.027 4.367 4.340 0.000 0.000 0.201 42 Q C 2.179 178.347 176.000 0.280 0.000 0.972 42 Q CA 0.832 56.759 55.803 0.206 0.000 0.847 42 Q CB -0.476 28.414 28.738 0.254 0.000 0.903 42 Q HN 0.444 nan 8.270 nan 0.000 0.433 43 I N 0.541 121.234 120.570 0.205 0.000 2.226 43 I HA -0.239 3.931 4.170 0.000 0.000 0.245 43 I C 2.291 178.481 176.117 0.121 0.000 1.100 43 I CA 1.223 62.637 61.300 0.190 0.000 1.374 43 I CB -0.970 37.108 38.000 0.129 0.000 1.057 43 I HN 0.250 nan 8.210 nan 0.000 0.413 44 M N -0.209 119.438 119.600 0.079 0.000 2.117 44 M HA -0.183 4.297 4.480 0.000 0.000 0.262 44 M C 2.132 178.424 176.300 -0.013 0.000 1.065 44 M CA 1.506 56.809 55.300 0.004 0.000 1.114 44 M CB -0.488 32.131 32.600 0.032 0.000 1.361 44 M HN 0.118 nan 8.290 nan 0.000 0.408 45 E N 0.043 120.276 120.200 0.055 0.000 2.077 45 E HA -0.155 4.195 4.350 0.000 0.000 0.193 45 E C 1.808 178.464 176.600 0.095 0.000 0.989 45 E CA 1.562 57.983 56.400 0.034 0.000 0.800 45 E CB -0.488 29.217 29.700 0.007 0.000 0.746 45 E HN 0.590 nan 8.360 nan 0.000 0.452 46 Y N 0.660 121.060 120.300 0.167 0.000 2.224 46 Y HA -0.181 4.369 4.550 0.000 0.000 0.289 46 Y C 2.368 178.217 175.900 -0.084 0.000 1.146 46 Y CA 0.989 59.119 58.100 0.050 0.000 1.182 46 Y CB -0.191 38.245 38.460 -0.041 0.000 0.983 46 Y HN 0.052 nan 8.280 nan 0.000 0.524 47 A N 0.137 122.884 122.820 -0.122 0.000 1.902 47 A HA -0.232 4.088 4.320 0.000 0.000 0.217 47 A C 2.105 179.488 177.584 -0.335 0.000 1.181 47 A CA 1.818 53.484 52.037 -0.618 0.000 0.623 47 A CB -0.569 17.690 19.000 -1.235 0.000 0.818 47 A HN 0.342 nan 8.150 nan 0.000 0.443 48 R N 0.430 120.824 120.500 -0.178 0.000 2.096 48 R HA -0.136 4.204 4.340 0.000 0.000 0.235 48 R C 1.253 177.534 176.300 -0.032 0.000 1.127 48 R CA 2.014 58.054 56.100 -0.100 0.000 0.968 48 R CB -0.816 29.435 30.300 -0.082 0.000 0.861 48 R HN 0.444 nan 8.270 nan 0.000 0.440 49 D N -0.856 119.563 120.400 0.030 0.000 2.219 49 D HA 0.036 4.676 4.640 0.000 0.000 0.205 49 D C 0.898 177.236 176.300 0.063 0.000 0.970 49 D CA 1.681 55.731 54.000 0.084 0.000 0.851 49 D CB -0.156 40.750 40.800 0.178 0.000 0.943 49 D HN 0.494 nan 8.370 nan 0.000 0.488 50 G N 0.471 109.298 108.800 0.045 0.000 2.179 50 G HA2 -0.359 3.601 3.960 0.000 0.000 0.257 50 G HA3 -0.359 3.601 3.960 0.000 0.000 0.257 50 G C 0.751 175.707 174.900 0.092 0.000 1.010 50 G CA 0.642 45.785 45.100 0.071 0.000 0.736 50 G HN 0.439 nan 8.290 nan 0.000 0.513 51 E N -1.136 119.121 120.200 0.096 0.000 2.473 51 E HA 0.178 4.528 4.350 0.000 0.000 0.204 51 E C 0.736 177.380 176.600 0.072 0.000 0.994 51 E CA 0.224 56.670 56.400 0.077 0.000 0.945 51 E CB 0.422 30.160 29.700 0.065 0.000 0.990 51 E HN 0.323 nan 8.360 nan 0.000 0.493 52 K N 1.060 121.524 120.400 0.107 0.000 2.259 52 K HA 0.237 4.557 4.320 0.000 0.000 0.252 52 K C -0.294 176.415 176.600 0.182 0.000 0.936 52 K CA -0.458 55.883 56.287 0.090 0.000 0.810 52 K CB 1.786 34.298 32.500 0.021 0.000 1.143 52 K HN -0.034 nan 8.250 nan 0.000 0.427 53 T N -1.981 112.630 114.554 0.095 0.000 2.824 53 T HA 0.178 4.529 4.350 0.000 0.000 0.277 53 T C 1.307 176.015 174.700 0.012 0.000 0.975 53 T CA -0.814 61.313 62.100 0.045 0.000 0.966 53 T CB 0.833 69.692 68.868 -0.016 0.000 1.054 53 T HN 0.089 nan 8.240 nan 0.000 0.533 54 V N 1.417 121.229 119.914 -0.171 0.000 2.287 54 V HA -0.151 3.970 4.120 0.000 0.000 0.248 54 V C 3.124 179.180 176.094 -0.063 0.000 1.053 54 V CA 2.433 64.623 62.300 -0.184 0.000 1.027 54 V CB -1.647 29.999 31.823 -0.294 0.000 0.646 54 V HN 1.076 nan 8.190 nan 0.000 0.447 55 A N -1.034 121.749 122.820 -0.063 0.000 1.902 55 A HA -0.298 4.022 4.320 0.000 0.000 0.217 55 A C 2.173 179.738 177.584 -0.032 0.000 1.181 55 A CA 2.022 54.035 52.037 -0.039 0.000 0.623 55 A CB -0.475 18.502 19.000 -0.038 0.000 0.818 55 A HN 0.642 nan 8.150 nan 0.000 0.443 56 Q N -0.546 119.235 119.800 -0.031 0.000 2.079 56 Q HA -0.042 4.298 4.340 0.000 0.000 0.200 56 Q C 2.008 177.961 176.000 -0.079 0.000 0.974 56 Q CA 1.319 57.094 55.803 -0.047 0.000 0.840 56 Q CB -0.279 28.433 28.738 -0.044 0.000 0.898 56 Q HN 0.682 nan 8.270 nan 0.000 0.430 57 L N -0.078 121.117 121.223 -0.047 0.000 2.217 57 L HA -0.055 4.285 4.340 0.000 0.000 0.211 57 L C 1.432 178.261 176.870 -0.067 0.000 1.107 57 L CA 0.150 54.952 54.840 -0.064 0.000 0.783 57 L CB -0.240 41.856 42.059 0.062 0.000 0.919 57 L HN 0.300 nan 8.230 nan 0.000 0.442 61 G N 0.386 109.023 108.800 -0.272 0.000 2.479 61 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 61 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 61 G C 1.001 175.796 174.900 -0.174 0.000 1.115 61 G CA 1.048 46.054 45.100 -0.156 0.000 0.757 61 G HN 0.551 nan 8.290 nan 0.000 0.560 62 Q N -0.474 119.130 119.800 -0.327 0.000 2.425 62 Q HA 0.050 4.390 4.340 0.000 0.000 0.204 62 Q C 0.915 176.884 176.000 -0.052 0.000 0.933 62 Q CA 0.301 55.984 55.803 -0.200 0.000 0.939 62 Q CB 0.283 28.922 28.738 -0.165 0.000 1.044 62 Q HN 0.555 nan 8.270 nan 0.000 0.513 63 H N -0.884 118.169 119.070 -0.028 0.000 2.594 63 H HA 0.176 4.732 4.556 0.000 0.000 0.279 63 H C 1.495 176.811 175.328 -0.021 0.000 1.042 63 H CA -0.076 55.954 56.048 -0.031 0.000 1.177 63 H CB 0.389 30.128 29.762 -0.039 0.000 1.524 63 H HN 0.163 nan 8.280 nan 0.000 0.537 64 L N -0.091 121.167 121.223 0.059 0.000 2.049 64 L HA 0.089 4.429 4.340 0.000 0.000 0.203 64 L C 0.485 177.363 176.870 0.014 0.000 1.074 64 L CA 0.984 55.854 54.840 0.051 0.000 0.749 64 L CB 0.002 42.090 42.059 0.048 0.000 0.907 64 L HN 0.034 nan 8.230 nan 0.000 0.439 65 L N -0.448 120.768 121.223 -0.012 0.000 2.341 65 L HA 0.575 4.915 4.340 0.000 0.000 0.278 65 L C 0.092 176.923 176.870 -0.065 0.000 1.005 65 L CA -0.563 54.243 54.840 -0.055 0.000 0.818 65 L CB 1.725 43.752 42.059 -0.053 0.000 1.259 65 L HN -0.063 nan 8.230 nan 0.000 0.418 66 G N 1.042 109.774 108.800 -0.113 0.000 2.521 66 G HA2 0.420 4.380 3.960 0.000 0.000 0.323 66 G HA3 0.420 4.380 3.960 0.000 0.000 0.323 66 G C 0.463 175.295 174.900 -0.113 0.000 1.211 66 G CA -0.557 44.483 45.100 -0.101 0.000 0.979 66 G HN 0.673 nan 8.290 nan 0.000 0.490 67 R N -0.729 119.719 120.500 -0.088 0.000 2.105 67 R HA -0.075 4.265 4.340 0.000 0.000 0.239 67 R C 2.575 178.823 176.300 -0.086 0.000 1.135 67 R CA 1.227 57.280 56.100 -0.078 0.000 0.967 67 R CB -0.069 30.193 30.300 -0.063 0.000 0.861 67 R HN 0.420 nan 8.270 nan 0.000 0.442 68 R N -0.050 120.380 120.500 -0.118 0.000 2.280 68 R HA -0.081 4.259 4.340 0.000 0.000 0.207 68 R C 1.157 177.321 176.300 -0.227 0.000 1.043 68 R CA 0.815 56.840 56.100 -0.125 0.000 1.006 68 R CB 0.139 30.366 30.300 -0.121 0.000 0.885 68 R HN 0.178 nan 8.270 nan 0.000 0.467 69 Q N -0.351 119.249 119.800 -0.333 0.000 2.247 69 Q HA 0.090 4.430 4.340 0.000 0.000 0.204 69 Q C -0.108 175.834 176.000 -0.097 0.000 0.872 69 Q CA 0.026 55.574 55.803 -0.424 0.000 0.951 69 Q CB 1.366 29.743 28.738 -0.601 0.000 1.099 69 Q HN 0.132 nan 8.270 nan 0.000 0.501 70 V N -3.802 116.078 119.914 -0.057 0.000 3.130 70 V HA 0.532 4.652 4.120 0.000 0.000 0.310 70 V C -0.254 175.841 176.094 0.001 0.000 1.158 70 V CA -1.434 60.856 62.300 -0.015 0.000 1.029 70 V CB 1.456 33.262 31.823 -0.029 0.000 1.057 70 V HN -0.010 nan 8.190 nan 0.000 0.436 71 L N 2.890 124.117 121.223 0.007 0.000 2.483 71 L HA 0.269 4.609 4.340 0.000 0.000 0.275 71 L C -0.857 176.015 176.870 0.003 0.000 1.220 71 L CA -1.180 53.664 54.840 0.006 0.000 0.833 71 L CB 0.780 42.834 42.059 -0.008 0.000 1.102 71 L HN 0.569 nan 8.230 nan 0.000 0.490 72 P HA -0.233 nan 4.420 nan 0.000 0.217 72 P C 0.990 178.330 177.300 0.066 0.000 1.148 72 P CA 1.737 64.853 63.100 0.027 0.000 0.828 72 P CB 0.160 31.883 31.700 0.038 0.000 0.783 73 A N -0.348 122.505 122.820 0.055 0.000 2.066 73 A HA -0.025 4.295 4.320 0.000 0.000 0.218 73 A C 2.419 180.047 177.584 0.073 0.000 1.157 73 A CA 0.956 53.050 52.037 0.095 0.000 0.670 73 A CB -1.455 17.521 19.000 -0.040 0.000 0.804 73 A HN 0.038 nan 8.150 nan 0.000 0.453 74 V N 0.724 120.656 119.914 0.031 0.000 2.282 74 V HA -0.215 3.905 4.120 0.000 0.000 0.249 74 V C -0.108 176.011 176.094 0.042 0.000 1.057 74 V CA 2.680 65.017 62.300 0.062 0.000 1.032 74 V CB -1.597 30.250 31.823 0.039 0.000 0.645 74 V HN 0.382 nan 8.190 nan 0.000 0.447 75 P HA -0.135 nan 4.420 nan 0.000 0.219 75 P C 1.211 178.427 177.300 -0.139 0.000 1.146 75 P CA 1.558 64.580 63.100 -0.130 0.000 0.808 75 P CB -0.092 31.463 31.700 -0.241 0.000 0.779 76 H N -1.797 117.286 119.070 0.022 0.000 2.415 76 H HA 0.094 4.650 4.556 0.000 0.000 0.297 76 H C 1.791 177.138 175.328 0.031 0.000 1.048 76 H CA 0.757 56.814 56.048 0.016 0.000 1.365 76 H CB -0.481 29.274 29.762 -0.011 0.000 1.421 76 H HN 0.040 nan 8.280 nan 0.000 0.533 77 L N -0.059 121.253 121.223 0.149 0.000 2.240 77 L HA 0.001 4.342 4.340 0.000 0.000 0.211 77 L C 0.172 177.188 176.870 0.243 0.000 1.106 77 L CA 0.068 54.971 54.840 0.106 0.000 0.793 77 L CB 0.268 42.303 42.059 -0.040 0.000 0.927 77 L HN 0.154 nan 8.230 nan 0.000 0.446 78 L N 0.468 121.846 121.223 0.259 0.000 2.353 78 L HA 0.217 4.557 4.340 0.000 0.000 0.269 78 L C 0.826 177.786 176.870 0.150 0.000 1.085 78 L CA 0.385 55.388 54.840 0.271 0.000 0.938 78 L CB 0.003 42.185 42.059 0.206 0.000 1.312 78 L HN 0.058 nan 8.230 nan 0.000 0.429 79 N N 2.617 121.409 118.700 0.153 0.000 2.300 79 N HA 0.234 4.974 4.740 0.000 0.000 0.179 79 N C 0.175 175.726 175.510 0.069 0.000 1.016 79 N CA 0.601 53.713 53.050 0.104 0.000 0.876 79 N CB 0.286 38.837 38.487 0.106 0.000 0.979 79 N HN 0.602 nan 8.380 nan 0.000 0.432 80 A N -0.011 122.839 122.820 0.051 0.000 2.567 80 A HA 0.544 4.864 4.320 0.000 0.000 0.291 80 A C -1.751 175.816 177.584 -0.028 0.000 1.048 80 A CA -0.532 51.484 52.037 -0.034 0.000 0.661 80 A CB 1.138 20.061 19.000 -0.128 0.000 1.288 80 A HN -0.135 nan 8.150 nan 0.000 0.424 81 V N 1.137 121.009 119.914 -0.070 0.000 2.588 81 V HA 0.599 4.719 4.120 0.000 0.000 0.304 81 V C -0.413 175.644 176.094 -0.062 0.000 1.042 81 V CA -0.341 61.927 62.300 -0.054 0.000 0.877 81 V CB 1.638 33.430 31.823 -0.052 0.000 0.996 81 V HN 0.899 nan 8.190 nan 0.000 0.425 82 Q N 2.334 122.112 119.800 -0.037 0.000 2.394 82 Q HA 0.889 5.229 4.340 0.000 0.000 0.273 82 Q C -1.511 174.492 176.000 0.005 0.000 1.089 82 Q CA -0.672 55.116 55.803 -0.024 0.000 0.812 82 Q CB 3.174 31.897 28.738 -0.025 0.000 1.353 82 Q HN 0.526 nan 8.270 nan 0.000 0.438 83 V N 1.092 121.022 119.914 0.027 0.000 3.177 83 V HA 0.292 4.412 4.120 0.000 0.000 0.287 83 V C -1.860 174.282 176.094 0.080 0.000 1.465 83 V CA -0.495 61.834 62.300 0.047 0.000 1.020 83 V CB 2.560 34.413 31.823 0.049 0.000 1.152 83 V HN 0.816 nan 8.190 nan 0.000 0.448 84 E N 2.882 123.132 120.200 0.082 0.000 2.227 84 E HA 0.861 5.211 4.350 0.000 0.000 0.268 84 E C -0.605 176.065 176.600 0.117 0.000 0.907 84 E CA -0.538 55.934 56.400 0.121 0.000 0.786 84 E CB 2.385 32.138 29.700 0.089 0.000 1.191 84 E HN 1.062 nan 8.360 nan 0.000 0.411 85 A N 1.127 124.052 122.820 0.175 0.000 2.609 85 A HA 0.533 4.853 4.320 0.000 0.000 0.291 85 A C -0.855 176.785 177.584 0.094 0.000 1.096 85 A CA -0.751 51.316 52.037 0.050 0.000 0.684 85 A CB 1.750 20.682 19.000 -0.114 0.000 1.282 85 A HN 0.430 nan 8.150 nan 0.000 0.412 86 T N 1.958 116.505 114.554 -0.012 0.000 2.739 86 T HA 0.485 4.835 4.350 0.000 0.000 0.298 86 T C -0.490 174.192 174.700 -0.028 0.000 0.929 86 T CA 0.701 62.827 62.100 0.043 0.000 1.014 86 T CB -0.906 67.969 68.868 0.011 0.000 0.914 86 T HN 0.314 nan 8.240 nan 0.000 0.509 87 F N 3.293 123.258 119.950 0.024 0.000 2.375 87 F HA 0.337 4.864 4.527 0.000 0.000 0.317 87 F C -1.135 174.678 175.800 0.022 0.000 1.124 87 F CA -2.483 55.534 58.000 0.028 0.000 1.050 87 F CB 0.475 39.490 39.000 0.025 0.000 1.314 87 F HN 0.338 nan 8.300 nan 0.000 0.511 88 P HA -0.140 nan 4.420 nan 0.000 0.221 88 P C 0.040 177.406 177.300 0.110 0.000 1.145 88 P CA 1.356 64.531 63.100 0.125 0.000 0.795 88 P CB -0.006 31.759 31.700 0.108 0.000 0.775 89 D N -1.508 118.973 120.400 0.135 0.000 2.615 89 D HA 0.295 4.935 4.640 0.000 0.000 0.236 89 D C 0.838 177.187 176.300 0.081 0.000 1.233 89 D CA -0.292 53.755 54.000 0.079 0.000 0.829 89 D CB -0.378 40.446 40.800 0.040 0.000 1.024 89 D HN 0.111 nan 8.370 nan 0.000 0.490 90 G N 0.091 108.960 108.800 0.115 0.000 2.610 90 G HA2 -0.170 3.790 3.960 0.000 0.000 0.304 90 G HA3 -0.170 3.790 3.960 0.000 0.000 0.304 90 G C -0.323 174.675 174.900 0.164 0.000 1.309 90 G CA -0.532 44.631 45.100 0.105 0.000 0.906 90 G HN 0.227 nan 8.290 nan 0.000 0.521 91 T N 2.418 117.046 114.554 0.123 0.000 2.888 91 T HA 0.519 4.869 4.350 0.000 0.000 0.301 91 T C 0.212 174.993 174.700 0.136 0.000 1.001 91 T CA 0.196 62.387 62.100 0.151 0.000 1.147 91 T CB 0.788 69.710 68.868 0.090 0.000 0.931 91 T HN 0.581 nan 8.240 nan 0.000 0.541 92 K N 2.074 122.601 120.400 0.212 0.000 2.469 92 K HA 0.454 4.775 4.320 0.000 0.000 0.254 92 K C -1.013 175.650 176.600 0.105 0.000 0.939 92 K CA -1.001 55.308 56.287 0.037 0.000 0.812 92 K CB 2.603 34.890 32.500 -0.355 0.000 1.301 92 K HN 0.406 nan 8.250 nan 0.000 0.433 93 L N 1.943 123.180 121.223 0.024 0.000 2.292 93 L HA 0.444 4.784 4.340 0.000 0.000 0.284 93 L C -1.054 175.832 176.870 0.026 0.000 1.065 93 L CA -0.317 54.549 54.840 0.044 0.000 0.806 93 L CB 1.331 43.402 42.059 0.020 0.000 1.175 93 L HN 0.299 nan 8.230 nan 0.000 0.431 94 V N 4.227 124.181 119.914 0.066 0.000 2.487 94 V HA 0.521 4.641 4.120 0.000 0.000 0.298 94 V C -0.156 175.943 176.094 0.008 0.000 1.028 94 V CA -0.442 61.889 62.300 0.051 0.000 0.860 94 V CB 1.883 33.784 31.823 0.130 0.000 0.991 94 V HN 0.868 nan 8.190 nan 0.000 0.427 95 T N 4.332 118.867 114.554 -0.033 0.000 2.791 95 T HA 0.458 4.808 4.350 0.000 0.000 0.288 95 T C -0.321 174.271 174.700 -0.180 0.000 0.999 95 T CA -0.336 61.676 62.100 -0.147 0.000 0.952 95 T CB 1.450 70.167 68.868 -0.252 0.000 0.938 95 T HN 0.325 nan 8.240 nan 0.000 0.444 96 V N 5.813 125.629 119.914 -0.164 0.000 2.348 96 V HA 0.236 4.356 4.120 0.000 0.000 0.270 96 V C 0.365 176.367 176.094 -0.154 0.000 1.037 96 V CA -0.796 61.444 62.300 -0.100 0.000 0.872 96 V CB -0.013 31.772 31.823 -0.062 0.000 1.002 96 V HN 0.824 nan 8.190 nan 0.000 0.464 97 H N 4.135 123.194 119.070 -0.018 0.000 2.525 97 H HA 0.161 4.717 4.556 0.000 0.000 0.339 97 H C 0.098 175.421 175.328 -0.009 0.000 1.109 97 H CA -0.328 55.716 56.048 -0.006 0.000 1.352 97 H CB 0.950 30.707 29.762 -0.008 0.000 1.461 97 H HN 0.710 nan 8.280 nan 0.000 0.533 98 D N 2.845 123.308 120.400 0.105 0.000 2.810 98 D HA -0.143 4.497 4.640 0.000 0.000 0.224 98 D C -1.431 174.888 176.300 0.031 0.000 1.222 98 D CA 0.062 54.098 54.000 0.061 0.000 0.698 98 D CB -0.457 40.378 40.800 0.059 0.000 0.961 98 D HN 0.543 nan 8.370 nan 0.000 0.403 99 P HA -0.162 nan 4.420 nan 0.000 0.216 99 P C 0.984 178.280 177.300 -0.007 0.000 1.150 99 P CA 0.633 63.727 63.100 -0.010 0.000 0.837 99 P CB 0.217 31.904 31.700 -0.021 0.000 0.786 100 I N 1.517 122.083 120.570 -0.008 0.000 2.227 100 I HA 0.049 4.220 4.170 0.000 0.000 0.297 100 I C 1.451 177.559 176.117 -0.015 0.000 1.173 100 I CA 0.215 61.504 61.300 -0.020 0.000 1.356 100 I CB -0.807 37.172 38.000 -0.035 0.000 1.485 100 I HN 0.045 nan 8.210 nan 0.000 0.604 101 S N 4.976 120.679 115.700 0.004 0.000 2.512 101 S HA 0.312 4.782 4.470 0.000 0.000 0.216 101 S C 0.823 175.426 174.600 0.004 0.000 1.006 101 S CA -0.410 57.797 58.200 0.011 0.000 0.915 101 S CB 0.721 63.946 63.200 0.041 0.000 0.824 101 S HN 0.534 nan 8.310 nan 0.000 0.497 102 R N 0.352 120.851 120.500 -0.001 0.000 2.939 102 R HA 0.518 4.858 4.340 0.000 0.000 0.254 102 R C 0.385 176.662 176.300 -0.039 0.000 1.123 102 R CA -0.880 55.209 56.100 -0.018 0.000 1.020 102 R CB 0.688 30.980 30.300 -0.013 0.000 1.206 102 R HN -0.064 nan 8.270 nan 0.000 0.491 103 E N 0.899 121.073 120.200 -0.043 0.000 2.046 103 E HA 0.004 4.354 4.350 0.000 0.000 0.190 103 E C -0.183 176.370 176.600 -0.078 0.000 0.982 103 E CA 1.297 57.666 56.400 -0.053 0.000 0.800 103 E CB 0.165 29.840 29.700 -0.041 0.000 0.756 103 E HN 0.356 nan 8.360 nan 0.000 0.449 104 N N -0.154 118.500 118.700 -0.076 0.000 2.258 104 N HA 0.315 5.055 4.740 0.000 0.000 0.299 104 N C -0.176 175.286 175.510 -0.079 0.000 1.047 104 N CA -0.146 52.841 53.050 -0.105 0.000 0.814 104 N CB 2.087 40.525 38.487 -0.082 0.000 1.413 104 N HN -0.038 nan 8.380 nan 0.000 0.478 105 G N 0.009 108.751 108.800 -0.097 0.000 2.547 105 G HA2 0.159 4.119 3.960 0.000 0.000 0.291 105 G HA3 0.159 4.119 3.960 0.000 0.000 0.291 105 G C -0.158 174.733 174.900 -0.016 0.000 1.211 105 G CA -0.089 44.987 45.100 -0.039 0.000 0.950 105 G HN 0.438 nan 8.290 nan 0.000 0.504 106 E N 0.583 120.800 120.200 0.028 0.000 1.856 106 E HA 0.178 4.528 4.350 0.000 0.000 0.263 106 E C 1.629 178.267 176.600 0.063 0.000 1.137 106 E CA -0.226 56.199 56.400 0.041 0.000 1.007 106 E CB -0.210 29.525 29.700 0.059 0.000 1.117 106 E HN 0.370 nan 8.360 nan 0.000 0.438 107 L N 2.435 123.688 121.223 0.050 0.000 2.263 107 L HA -0.231 4.109 4.340 0.000 0.000 0.216 107 L C 2.217 179.151 176.870 0.105 0.000 1.111 107 L CA 1.212 56.096 54.840 0.074 0.000 0.773 107 L CB -0.275 41.834 42.059 0.083 0.000 0.906 107 L HN 0.583 nan 8.230 nan 0.000 0.439 108 Q N 0.375 120.239 119.800 0.107 0.000 2.172 108 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 108 Q C 1.937 178.052 176.000 0.191 0.000 0.964 108 Q CA 1.246 57.128 55.803 0.132 0.000 0.855 108 Q CB 0.202 29.009 28.738 0.115 0.000 0.918 108 Q HN 0.558 nan 8.270 nan 0.000 0.444 109 E N -0.193 120.120 120.200 0.187 0.000 2.112 109 E HA -0.097 4.253 4.350 0.000 0.000 0.190 109 E C 1.876 178.649 176.600 0.288 0.000 0.979 109 E CA 0.697 57.260 56.400 0.272 0.000 0.814 109 E CB -0.038 29.780 29.700 0.195 0.000 0.762 109 E HN 0.414 nan 8.360 nan 0.000 0.460 110 A N 0.800 123.732 122.820 0.186 0.000 2.019 110 A HA -0.133 4.187 4.320 0.000 0.000 0.219 110 A C 1.819 179.490 177.584 0.145 0.000 1.164 110 A CA 1.059 53.185 52.037 0.149 0.000 0.644 110 A CB -0.056 18.996 19.000 0.088 0.000 0.805 110 A HN 0.109 nan 8.150 nan 0.000 0.449 111 L N -1.536 119.778 121.223 0.152 0.000 2.640 111 L HA 0.322 4.662 4.340 0.000 0.000 0.230 111 L C 0.355 177.296 176.870 0.119 0.000 1.123 111 L CA -0.459 54.451 54.840 0.116 0.000 0.900 111 L CB -1.210 40.906 42.059 0.095 0.000 1.146 111 L HN 0.423 nan 8.230 nan 0.000 0.484 112 F N 1.268 121.232 119.950 0.024 0.000 2.623 112 F HA 0.323 4.850 4.527 0.000 0.000 0.386 112 F C 1.556 177.302 175.800 -0.090 0.000 1.068 112 F CA 0.865 58.834 58.000 -0.052 0.000 1.265 112 F CB 0.345 39.248 39.000 -0.161 0.000 1.026 112 F HN 0.334 nan 8.300 nan 0.000 0.568 113 G N 3.133 111.332 108.800 -1.002 0.000 2.184 113 G HA2 -0.376 3.584 3.960 0.000 0.000 0.264 113 G HA3 -0.376 3.584 3.960 0.000 0.000 0.264 113 G C 1.093 175.803 174.900 -0.315 0.000 0.975 113 G CA 1.017 45.610 45.100 -0.846 0.000 0.642 113 G HN 1.431 nan 8.290 nan 0.000 0.536 114 S N -0.457 115.160 115.700 -0.139 0.000 2.486 114 S HA 0.357 4.827 4.470 0.000 0.000 0.220 114 S C 1.578 176.218 174.600 0.066 0.000 1.011 114 S CA 0.953 59.185 58.200 0.054 0.000 0.921 114 S CB 0.115 63.412 63.200 0.161 0.000 0.785 114 S HN 1.185 nan 8.310 nan 0.000 0.517 115 L N -0.271 120.952 121.223 -0.001 0.000 4.696 115 L HA -0.131 4.209 4.340 0.000 0.000 0.425 115 L C -0.139 176.760 176.870 0.048 0.000 1.115 115 L CA 0.560 55.408 54.840 0.013 0.000 0.996 115 L CB -2.563 39.496 42.059 0.001 0.000 2.077 115 L HN 0.490 nan 8.230 nan 0.000 0.792 116 L N 1.974 123.236 121.223 0.065 0.000 2.350 116 L HA 0.382 4.722 4.340 0.000 0.000 0.275 116 L C -1.149 175.745 176.870 0.040 0.000 1.099 116 L CA -1.503 53.369 54.840 0.053 0.000 0.808 116 L CB 0.635 42.716 42.059 0.037 0.000 1.149 116 L HN -0.039 nan 8.230 nan 0.000 0.442 117 P HA 0.052 nan 4.420 nan 0.000 0.271 117 P C -0.620 176.703 177.300 0.038 0.000 1.216 117 P CA -0.261 62.857 63.100 0.030 0.000 0.771 117 P CB 0.943 32.655 31.700 0.019 0.000 0.864 118 V N 6.150 126.095 119.914 0.050 0.000 2.508 118 V HA 0.142 4.262 4.120 0.000 0.000 0.281 118 V C -1.211 174.922 176.094 0.065 0.000 1.041 118 V CA -0.990 61.350 62.300 0.068 0.000 1.016 118 V CB 0.209 32.076 31.823 0.075 0.000 0.984 118 V HN 0.655 nan 8.190 nan 0.000 0.478 119 P HA 0.263 nan 4.420 nan 0.000 0.278 119 P C -0.296 177.070 177.300 0.111 0.000 1.238 119 P CA -0.344 62.795 63.100 0.064 0.000 0.794 119 P CB 1.171 32.886 31.700 0.024 0.000 0.955 120 S N 1.822 117.564 115.700 0.071 0.000 2.585 120 S HA 0.121 4.591 4.470 0.000 0.000 0.273 120 S C 1.610 176.305 174.600 0.157 0.000 1.339 120 S CA -0.716 57.536 58.200 0.087 0.000 1.028 120 S CB 0.214 63.443 63.200 0.048 0.000 0.906 120 S HN 0.391 nan 8.310 nan 0.000 0.528 121 L N 1.035 122.357 121.223 0.165 0.000 2.187 121 L HA -0.140 4.200 4.340 0.000 0.000 0.213 121 L C 2.389 179.408 176.870 0.248 0.000 1.100 121 L CA 1.600 56.579 54.840 0.231 0.000 0.765 121 L CB -0.769 41.356 42.059 0.111 0.000 0.904 121 L HN 0.858 nan 8.230 nan 0.000 0.437 122 D N 0.166 120.644 120.400 0.131 0.000 2.350 122 D HA -0.198 4.442 4.640 0.000 0.000 0.216 122 D C 1.514 177.846 176.300 0.055 0.000 0.968 122 D CA 0.752 54.805 54.000 0.088 0.000 0.894 122 D CB -0.147 40.680 40.800 0.044 0.000 0.909 122 D HN 0.333 nan 8.370 nan 0.000 0.520 123 K N -0.415 119.989 120.400 0.006 0.000 2.439 123 K HA 0.009 4.329 4.320 0.000 0.000 0.197 123 K C -0.083 176.308 176.600 -0.348 0.000 1.041 123 K CA 0.207 56.371 56.287 -0.205 0.000 0.970 123 K CB -0.012 32.279 32.500 -0.349 0.000 0.773 123 K HN 0.162 nan 8.250 nan 0.000 0.479 124 F N 1.397 121.345 119.950 -0.003 0.000 2.334 124 F HA 0.266 4.793 4.527 0.000 0.000 0.365 124 F C 0.477 176.276 175.800 -0.003 0.000 1.124 124 F CA -1.099 56.898 58.000 -0.004 0.000 1.166 124 F CB 0.586 39.583 39.000 -0.005 0.000 1.355 124 F HN -0.135 nan 8.300 nan 0.000 0.532 125 A N 2.164 125.038 122.820 0.089 0.000 2.477 125 A HA 0.524 4.844 4.320 0.000 0.000 0.246 125 A C 0.530 178.157 177.584 0.072 0.000 1.078 125 A CA 0.144 52.217 52.037 0.061 0.000 0.770 125 A CB -0.145 18.867 19.000 0.021 0.000 1.011 125 A HN 0.794 nan 8.150 nan 0.000 0.494 131 N N 0.554 119.259 118.700 0.009 0.000 2.890 131 N HA 0.864 5.604 4.740 0.000 0.000 0.317 131 N C 0.696 176.190 175.510 -0.027 0.000 1.355 131 N CA -0.632 52.416 53.050 -0.005 0.000 0.803 131 N CB 0.811 39.298 38.487 -0.001 0.000 1.465 131 N HN 0.744 nan 8.380 nan 0.000 0.591 132 R N -0.524 119.948 120.500 -0.046 0.000 2.944 132 R HA 0.302 4.642 4.340 0.000 0.000 0.279 132 R C -0.490 175.704 176.300 -0.177 0.000 1.048 132 R CA 0.053 56.098 56.100 -0.092 0.000 1.196 132 R CB 0.100 30.355 30.300 -0.075 0.000 1.134 132 R HN 0.620 nan 8.270 nan 0.000 0.525 133 I N 1.996 122.421 120.570 -0.241 0.000 2.371 133 I HA 0.207 4.377 4.170 0.000 0.000 0.282 133 I C -2.154 173.851 176.117 -0.186 0.000 1.031 133 I CA -2.575 58.498 61.300 -0.380 0.000 1.180 133 I CB 1.663 39.391 38.000 -0.453 0.000 1.336 133 I HN 0.165 nan 8.210 nan 0.000 0.467 134 P HA 0.001 nan 4.420 nan 0.000 0.262 134 P C 0.891 178.147 177.300 -0.073 0.000 1.182 134 P CA 0.658 63.702 63.100 -0.093 0.000 0.761 134 P CB 0.546 32.176 31.700 -0.117 0.000 0.795 135 G N 1.825 110.592 108.800 -0.055 0.000 2.187 135 G HA2 -0.286 3.675 3.960 0.000 0.000 0.261 135 G HA3 -0.286 3.675 3.960 0.000 0.000 0.261 135 G C 0.173 175.052 174.900 -0.035 0.000 1.000 135 G CA 0.381 45.460 45.100 -0.035 0.000 0.718 135 G HN 0.726 nan 8.290 nan 0.000 0.519 136 E N 0.024 120.189 120.200 -0.059 0.000 2.415 136 E HA 0.407 4.757 4.350 0.000 0.000 0.262 136 E C 0.182 176.761 176.600 -0.034 0.000 1.038 136 E CA -0.575 55.794 56.400 -0.051 0.000 0.921 136 E CB 0.815 30.466 29.700 -0.082 0.000 0.950 136 E HN 0.151 nan 8.360 nan 0.000 0.438 137 I N 3.521 124.084 120.570 -0.012 0.000 2.336 137 I HA 0.231 4.401 4.170 0.000 0.000 0.292 137 I C -0.052 176.069 176.117 0.006 0.000 0.991 137 I CA -0.816 60.485 61.300 0.002 0.000 1.227 137 I CB 0.749 38.765 38.000 0.028 0.000 1.366 137 I HN 0.589 nan 8.210 nan 0.000 0.466 138 L N 5.941 127.165 121.223 0.002 0.000 2.287 138 L HA 0.546 4.886 4.340 0.000 0.000 0.287 138 L C -0.679 176.201 176.870 0.017 0.000 1.022 138 L CA -0.359 54.484 54.840 0.006 0.000 0.814 138 L CB 1.670 43.724 42.059 -0.007 0.000 1.217 138 L HN 0.569 nan 8.230 nan 0.000 0.420 139 C N 1.376 120.694 119.300 0.031 0.000 2.634 139 C HA 0.436 4.896 4.460 0.000 0.000 0.313 139 C C 0.144 175.148 174.990 0.024 0.000 1.198 139 C CA -1.036 57.999 59.018 0.028 0.000 1.605 139 C CB 2.104 29.877 27.740 0.055 0.000 2.196 139 C HN 0.633 nan 8.230 nan 0.000 0.486 140 E N 1.280 121.474 120.200 -0.011 0.000 2.390 140 E HA 0.062 4.412 4.350 0.000 0.000 0.261 140 E C -0.403 176.182 176.600 -0.025 0.000 1.076 140 E CA 0.145 56.535 56.400 -0.016 0.000 0.905 140 E CB 0.600 30.277 29.700 -0.038 0.000 0.984 140 E HN 0.587 nan 8.360 nan 0.000 0.427 141 D N 2.438 122.849 120.400 0.019 0.000 2.470 141 D HA 0.092 4.732 4.640 0.000 0.000 0.226 141 D C -0.634 175.636 176.300 -0.050 0.000 1.196 141 D CA 0.376 54.430 54.000 0.090 0.000 0.979 141 D CB -0.131 40.743 40.800 0.124 0.000 1.059 141 D HN 0.273 nan 8.370 nan 0.000 0.515 142 E N 1.264 121.269 120.200 -0.325 0.000 2.412 142 E HA 0.363 4.713 4.350 0.000 0.000 0.279 142 E C -1.162 175.175 176.600 -0.438 0.000 0.984 142 E CA -0.797 55.428 56.400 -0.291 0.000 0.788 142 E CB 1.626 31.202 29.700 -0.207 0.000 1.277 142 E HN 0.289 nan 8.360 nan 0.000 0.455 143 C N 1.801 120.971 119.300 -0.217 0.000 2.454 143 C HA 0.619 5.079 4.460 0.000 0.000 0.336 143 C C -0.412 174.536 174.990 -0.070 0.000 1.189 143 C CA -0.644 58.297 59.018 -0.129 0.000 1.877 143 C CB 0.183 27.909 27.740 -0.023 0.000 2.348 143 C HN 0.504 nan 8.230 nan 0.000 0.508 144 L N 1.569 122.754 121.223 -0.063 0.000 2.331 144 L HA 0.510 4.850 4.340 0.000 0.000 0.275 144 L C 0.111 177.025 176.870 0.073 0.000 1.022 144 L CA 0.018 54.784 54.840 -0.123 0.000 0.812 144 L CB 1.543 43.284 42.059 -0.530 0.000 1.257 144 L HN 0.646 nan 8.230 nan 0.000 0.435 145 T N 3.377 117.999 114.554 0.113 0.000 2.767 145 T HA 0.528 4.878 4.350 0.000 0.000 0.284 145 T C 0.034 174.769 174.700 0.058 0.000 0.973 145 T CA -0.485 61.666 62.100 0.085 0.000 0.996 145 T CB 0.884 69.823 68.868 0.119 0.000 0.927 145 T HN 0.255 nan 8.240 nan 0.000 0.456 146 L N 3.012 124.227 121.223 -0.013 0.000 2.421 146 L HA 0.390 4.730 4.340 0.000 0.000 0.263 146 L C 0.727 177.605 176.870 0.014 0.000 1.122 146 L CA -0.932 53.939 54.840 0.050 0.000 0.804 146 L CB 0.099 42.183 42.059 0.042 0.000 1.150 146 L HN 0.775 nan 8.230 nan 0.000 0.457 147 N N 0.837 119.562 118.700 0.042 0.000 2.698 147 N HA -0.213 4.528 4.740 0.000 0.000 0.258 147 N C -0.504 175.006 175.510 0.000 0.000 0.978 147 N CA 0.075 53.130 53.050 0.007 0.000 0.777 147 N CB -1.282 37.189 38.487 -0.027 0.000 0.907 147 N HN 0.390 nan 8.380 nan 0.000 0.543 148 I N 0.064 120.644 120.570 0.017 0.000 2.696 148 I HA 0.151 4.321 4.170 0.000 0.000 0.284 148 I C 1.649 177.780 176.117 0.023 0.000 1.129 148 I CA 0.725 62.038 61.300 0.022 0.000 1.410 148 I CB 0.715 38.735 38.000 0.033 0.000 1.399 148 I HN 0.533 nan 8.210 nan 0.000 0.579 149 G N 4.609 113.434 108.800 0.043 0.000 2.160 149 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 149 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 149 G C 0.052 175.003 174.900 0.086 0.000 1.022 149 G CA -0.300 44.833 45.100 0.054 0.000 0.741 149 G HN 0.645 nan 8.290 nan 0.000 0.508 150 R N -0.468 120.083 120.500 0.085 0.000 2.854 150 R HA 0.761 5.101 4.340 0.000 0.000 0.271 150 R C 0.375 176.675 176.300 -0.001 0.000 0.996 150 R CA -0.323 55.806 56.100 0.049 0.000 0.961 150 R CB 1.017 31.301 30.300 -0.027 0.000 1.182 150 R HN 0.375 nan 8.270 nan 0.000 0.479 151 K N 0.781 121.095 120.400 -0.143 0.000 2.295 151 K HA 0.609 4.929 4.320 0.000 0.000 0.270 151 K C -0.362 175.960 176.600 -0.464 0.000 1.011 151 K CA 0.200 56.143 56.287 -0.573 0.000 0.953 151 K CB 0.868 33.085 32.500 -0.472 0.000 0.956 151 K HN 0.735 nan 8.250 nan 0.000 0.477 152 A N 0.288 122.713 122.820 -0.659 0.000 2.556 152 A HA 0.849 5.169 4.320 0.000 0.000 0.294 152 A C -1.199 176.048 177.584 -0.562 0.000 1.091 152 A CA -0.204 51.520 52.037 -0.521 0.000 0.704 152 A CB 1.773 20.478 19.000 -0.492 0.000 1.300 152 A HN 1.836 nan 8.150 nan 0.000 0.406 153 V N 1.062 120.823 119.914 -0.255 0.000 3.147 153 V HA 0.629 4.749 4.120 0.000 0.000 0.299 153 V C -1.825 174.308 176.094 0.064 0.000 1.302 153 V CA -0.569 61.684 62.300 -0.079 0.000 1.015 153 V CB 1.980 33.752 31.823 -0.086 0.000 1.086 153 V HN 0.814 nan 8.190 nan 0.000 0.437 154 I N 6.171 126.830 120.570 0.148 0.000 2.389 154 I HA 0.526 4.696 4.170 0.000 0.000 0.288 154 I C -0.765 175.378 176.117 0.045 0.000 0.999 154 I CA -0.462 60.889 61.300 0.085 0.000 1.129 154 I CB 1.594 39.651 38.000 0.095 0.000 1.288 154 I HN 0.389 nan 8.210 nan 0.000 0.444 155 L N 5.967 127.189 121.223 -0.001 0.000 2.341 155 L HA 0.532 4.873 4.340 0.000 0.000 0.267 155 L C -0.362 176.538 176.870 0.050 0.000 1.009 155 L CA -1.016 53.844 54.840 0.034 0.000 0.819 155 L CB 2.169 44.251 42.059 0.037 0.000 1.323 155 L HN 0.451 nan 8.230 nan 0.000 0.425 156 K N 1.662 122.119 120.400 0.094 0.000 2.227 156 K HA 0.504 4.824 4.320 0.000 0.000 0.280 156 K C -1.137 175.557 176.600 0.157 0.000 1.041 156 K CA -0.461 55.892 56.287 0.111 0.000 0.905 156 K CB 1.797 34.353 32.500 0.093 0.000 1.068 156 K HN 0.226 nan 8.250 nan 0.000 0.470 157 V N 3.114 123.126 119.914 0.163 0.000 2.409 157 V HA 0.240 4.360 4.120 0.000 0.000 0.291 157 V C -0.251 175.889 176.094 0.077 0.000 1.020 157 V CA -0.713 61.661 62.300 0.122 0.000 0.848 157 V CB 1.770 33.567 31.823 -0.043 0.000 0.990 157 V HN 0.750 nan 8.190 nan 0.000 0.430 158 T N 3.131 117.727 114.554 0.070 0.000 2.797 158 T HA 0.340 4.691 4.350 0.000 0.000 0.279 158 T C 0.010 174.715 174.700 0.008 0.000 0.991 158 T CA -0.283 61.852 62.100 0.058 0.000 0.979 158 T CB 1.562 70.472 68.868 0.071 0.000 0.943 158 T HN 0.662 nan 8.240 nan 0.000 0.444 159 S N 2.099 117.816 115.700 0.028 0.000 2.475 159 S HA 0.302 4.773 4.470 0.000 0.000 0.281 159 S C 0.571 175.212 174.600 0.068 0.000 1.198 159 S CA -0.593 57.627 58.200 0.033 0.000 1.063 159 S CB 0.289 63.541 63.200 0.086 0.000 0.972 159 S HN 0.653 nan 8.310 nan 0.000 0.486 160 K N 3.292 123.753 120.400 0.101 0.000 2.414 160 K HA 0.246 4.566 4.320 0.000 0.000 0.204 160 K C 0.835 177.523 176.600 0.148 0.000 1.026 160 K CA -0.221 56.143 56.287 0.130 0.000 1.108 160 K CB 0.679 33.267 32.500 0.145 0.000 0.855 160 K HN 0.684 nan 8.250 nan 0.000 0.517 161 G N 1.085 109.923 108.800 0.062 0.000 2.477 161 G HA2 0.065 4.025 3.960 0.000 0.000 0.304 161 G HA3 0.065 4.025 3.960 0.000 0.000 0.304 161 G C -0.019 174.810 174.900 -0.118 0.000 1.175 161 G CA -0.485 44.524 45.100 -0.153 0.000 0.907 161 G HN 0.190 nan 8.290 nan 0.000 0.509 162 D N -1.136 119.156 120.400 -0.181 0.000 2.368 162 D HA 0.102 4.742 4.640 0.000 0.000 0.218 162 D C 0.692 176.940 176.300 -0.086 0.000 1.112 162 D CA -0.158 53.778 54.000 -0.106 0.000 0.834 162 D CB 0.417 41.152 40.800 -0.108 0.000 0.953 162 D HN 0.245 nan 8.370 nan 0.000 0.505 163 R N 0.611 121.056 120.500 -0.092 0.000 2.771 163 R HA 0.471 4.811 4.340 0.000 0.000 0.274 163 R C -2.660 173.624 176.300 -0.027 0.000 0.987 163 R CA -1.821 54.243 56.100 -0.060 0.000 0.908 163 R CB 2.114 32.366 30.300 -0.079 0.000 1.213 163 R HN -0.047 nan 8.270 nan 0.000 0.468 164 P HA 0.105 nan 4.420 nan 0.000 0.268 164 P C -0.729 176.592 177.300 0.035 0.000 1.205 164 P CA 0.325 63.440 63.100 0.024 0.000 0.771 164 P CB 0.855 32.562 31.700 0.012 0.000 0.858 165 I N 1.912 122.537 120.570 0.091 0.000 2.499 165 I HA 0.328 4.498 4.170 0.000 0.000 0.288 165 I C 0.046 176.260 176.117 0.162 0.000 1.048 165 I CA -0.598 60.762 61.300 0.100 0.000 1.062 165 I CB 2.339 40.400 38.000 0.101 0.000 1.238 165 I HN 0.320 nan 8.210 nan 0.000 0.426 166 Q N 5.227 125.072 119.800 0.075 0.000 2.337 166 Q HA 0.649 4.989 4.340 0.000 0.000 0.270 166 Q C -1.847 174.162 176.000 0.015 0.000 1.043 166 Q CA -0.651 55.186 55.803 0.057 0.000 0.794 166 Q CB 2.754 31.492 28.738 0.001 0.000 1.281 166 Q HN 0.505 nan 8.270 nan 0.000 0.446 167 V N 2.722 122.675 119.914 0.066 0.000 2.495 167 V HA 0.644 4.764 4.120 0.000 0.000 0.298 167 V C 0.554 176.691 176.094 0.072 0.000 1.031 167 V CA -0.614 61.695 62.300 0.014 0.000 0.871 167 V CB 1.526 33.406 31.823 0.095 0.000 0.988 167 V HN 0.882 nan 8.190 nan 0.000 0.432 168 G N 2.026 110.865 108.800 0.065 0.000 2.539 168 G HA2 0.365 4.326 3.960 0.000 0.000 0.258 168 G HA3 0.365 4.326 3.960 0.000 0.000 0.258 168 G C 1.154 176.168 174.900 0.190 0.000 1.202 168 G CA 0.317 45.491 45.100 0.125 0.000 0.851 168 G HN 0.955 nan 8.290 nan 0.000 0.556 169 S N -0.124 115.689 115.700 0.187 0.000 2.387 169 S HA -0.204 4.266 4.470 0.000 0.000 0.230 169 S C 1.428 176.078 174.600 0.082 0.000 1.035 169 S CA 1.746 60.048 58.200 0.169 0.000 1.014 169 S CB -0.321 63.025 63.200 0.245 0.000 0.836 169 S HN 0.621 nan 8.310 nan 0.000 0.466 170 H N -0.778 118.334 119.070 0.070 0.000 2.487 170 H HA 0.420 4.976 4.556 0.000 0.000 0.290 170 H C -0.655 174.650 175.328 -0.038 0.000 1.081 170 H CA -0.867 55.181 56.048 -0.001 0.000 1.116 170 H CB -0.295 29.457 29.762 -0.017 0.000 1.560 170 H HN 0.523 nan 8.280 nan 0.000 0.548 171 Y N 1.125 121.443 120.300 0.029 0.000 2.319 171 Y HA 0.150 4.701 4.550 0.000 0.000 0.328 171 Y C 0.051 175.937 175.900 -0.022 0.000 1.133 171 Y CA -0.854 57.258 58.100 0.019 0.000 1.265 171 Y CB 0.241 38.742 38.460 0.069 0.000 1.218 171 Y HN 0.243 nan 8.280 nan 0.000 0.508 172 H N 6.780 125.641 119.070 -0.349 0.000 3.082 172 H HA -0.011 4.545 4.556 0.000 0.000 0.275 172 H C 0.470 175.824 175.328 0.044 0.000 1.032 172 H CA 0.539 56.496 56.048 -0.152 0.000 1.477 172 H CB 0.050 29.667 29.762 -0.241 0.000 1.520 172 H HN 0.824 nan 8.280 nan 0.000 0.521 173 F N 2.477 122.517 119.950 0.150 0.000 2.154 173 F HA -0.223 4.304 4.527 0.000 0.000 0.301 173 F C 2.098 178.101 175.800 0.338 0.000 1.087 173 F CA 1.232 59.360 58.000 0.213 0.000 1.274 173 F CB -0.130 38.903 39.000 0.056 0.000 1.009 173 F HN 0.636 nan 8.300 nan 0.000 0.485 174 I N -0.151 120.666 120.570 0.411 0.000 2.756 174 I HA -0.190 3.980 4.170 0.000 0.000 0.262 174 I C 1.397 177.656 176.117 0.237 0.000 1.225 174 I CA 1.107 62.635 61.300 0.380 0.000 1.472 174 I CB -0.218 37.955 38.000 0.288 0.000 1.094 174 I HN 0.051 nan 8.210 nan 0.000 0.454 175 E N 0.930 121.253 120.200 0.205 0.000 2.489 175 E HA 0.037 4.387 4.350 0.000 0.000 0.193 175 E C 0.729 177.621 176.600 0.487 0.000 1.057 175 E CA 0.092 56.611 56.400 0.198 0.000 0.866 175 E CB -0.199 29.500 29.700 -0.000 0.000 0.916 175 E HN 0.433 nan 8.360 nan 0.000 0.500 176 V N 0.107 120.283 119.914 0.437 0.000 3.185 176 V HA 0.127 4.247 4.120 0.000 0.000 0.305 176 V C 0.792 177.040 176.094 0.257 0.000 1.090 176 V CA -1.153 61.285 62.300 0.232 0.000 1.107 176 V CB 0.483 32.193 31.823 -0.188 0.000 1.061 176 V HN 0.010 nan 8.190 nan 0.000 0.480 177 N N 3.770 122.521 118.700 0.085 0.000 2.052 177 N HA -0.052 4.688 4.740 0.000 0.000 0.283 177 N C -1.171 174.308 175.510 -0.052 0.000 1.272 177 N CA -0.131 52.939 53.050 0.033 0.000 0.810 177 N CB 0.957 39.453 38.487 0.014 0.000 1.042 177 N HN 0.682 nan 8.380 nan 0.000 0.483 178 P HA -0.150 nan 4.420 nan 0.000 0.223 178 P C 0.460 177.465 177.300 -0.491 0.000 1.144 178 P CA 1.378 64.011 63.100 -0.777 0.000 0.783 178 P CB -0.092 30.759 31.700 -1.414 0.000 0.771 179 Y N -0.399 119.786 120.300 -0.191 0.000 2.502 179 Y HA 0.153 4.704 4.550 0.000 0.000 0.295 179 Y C 1.412 177.269 175.900 -0.073 0.000 1.193 179 Y CA 0.009 58.039 58.100 -0.117 0.000 1.295 179 Y CB -0.274 38.127 38.460 -0.098 0.000 1.059 179 Y HN -0.126 nan 8.280 nan 0.000 0.514 180 L N 0.263 121.507 121.223 0.035 0.000 2.296 180 L HA 0.375 4.715 4.340 0.000 0.000 0.286 180 L C -0.093 176.855 176.870 0.130 0.000 1.023 180 L CA -0.338 54.540 54.840 0.063 0.000 0.812 180 L CB 1.532 43.616 42.059 0.042 0.000 1.223 180 L HN -0.099 nan 8.230 nan 0.000 0.421 181 T N 4.095 118.726 114.554 0.129 0.000 2.797 181 T HA 0.754 5.104 4.350 0.000 0.000 0.279 181 T C -0.622 174.213 174.700 0.225 0.000 0.991 181 T CA -0.261 61.861 62.100 0.038 0.000 0.979 181 T CB 0.939 69.800 68.868 -0.012 0.000 0.943 181 T HN 0.463 nan 8.240 nan 0.000 0.444 182 F N -0.389 119.589 119.950 0.047 0.000 3.194 182 F HA 0.463 4.991 4.527 0.000 0.000 0.327 182 F C -1.337 174.524 175.800 0.102 0.000 1.141 182 F CA -1.394 56.651 58.000 0.075 0.000 0.862 182 F CB 0.644 39.738 39.000 0.157 0.000 1.447 182 F HN 0.271 nan 8.300 nan 0.000 0.479 183 D N 1.597 122.189 120.400 0.319 0.000 2.435 183 D HA 0.192 4.832 4.640 0.000 0.000 0.230 183 D C 1.013 177.556 176.300 0.405 0.000 1.215 183 D CA 0.037 54.189 54.000 0.254 0.000 0.947 183 D CB 0.641 41.570 40.800 0.215 0.000 1.048 183 D HN 0.479 nan 8.370 nan 0.000 0.512 184 R N 2.657 123.339 120.500 0.303 0.000 2.127 184 R HA -0.155 4.185 4.340 0.000 0.000 0.238 184 R C 1.995 178.401 176.300 0.176 0.000 1.134 184 R CA 0.633 56.815 56.100 0.135 0.000 0.975 184 R CB -0.222 29.994 30.300 -0.140 0.000 0.865 184 R HN 0.473 nan 8.270 nan 0.000 0.447 185 R N 1.252 121.814 120.500 0.104 0.000 2.081 185 R HA -0.088 4.252 4.340 0.000 0.000 0.235 185 R C 1.761 178.160 176.300 0.165 0.000 1.131 185 R CA 1.323 57.464 56.100 0.068 0.000 0.960 185 R CB 0.105 30.427 30.300 0.037 0.000 0.856 185 R HN 0.011 nan 8.270 nan 0.000 0.436 186 K N -0.199 120.322 120.400 0.201 0.000 2.288 186 K HA -0.004 4.316 4.320 0.000 0.000 0.201 186 K C 1.729 178.445 176.600 0.193 0.000 1.048 186 K CA 1.032 57.420 56.287 0.168 0.000 0.956 186 K CB 0.131 32.718 32.500 0.145 0.000 0.746 186 K HN 0.229 nan 8.250 nan 0.000 0.461 187 A N 0.744 123.751 122.820 0.312 0.000 2.123 187 A HA -0.080 4.240 4.320 0.000 0.000 0.214 187 A C 0.630 178.396 177.584 0.303 0.000 1.152 187 A CA -0.148 52.095 52.037 0.343 0.000 0.728 187 A CB -0.463 18.954 19.000 0.695 0.000 0.814 187 A HN 0.297 nan 8.150 nan 0.000 0.464 188 Y N 1.226 121.617 120.300 0.152 0.000 2.805 188 Y HA 0.274 4.825 4.550 0.000 0.000 0.331 188 Y C 1.380 177.324 175.900 0.073 0.000 1.241 188 Y CA 0.737 58.894 58.100 0.095 0.000 1.546 188 Y CB -0.049 38.436 38.460 0.042 0.000 1.248 188 Y HN 0.516 nan 8.280 nan 0.000 0.559 189 G N 5.252 113.769 108.800 -0.472 0.000 2.153 189 G HA2 -0.237 3.723 3.960 0.000 0.000 0.252 189 G HA3 -0.237 3.723 3.960 0.000 0.000 0.252 189 G C -0.175 174.654 174.900 -0.118 0.000 0.994 189 G CA 0.417 45.295 45.100 -0.370 0.000 0.698 189 G HN 0.524 nan 8.290 nan 0.000 0.521 190 M N -0.979 118.603 119.600 -0.030 0.000 2.777 190 M HA 0.763 5.243 4.480 0.000 0.000 0.307 190 M C 0.503 176.802 176.300 -0.001 0.000 1.228 190 M CA -0.834 54.447 55.300 -0.032 0.000 0.871 190 M CB 1.894 34.474 32.600 -0.034 0.000 1.721 190 M HN 0.575 nan 8.290 nan 0.000 0.487 191 R N -0.255 120.206 120.500 -0.065 0.000 2.734 191 R HA 0.726 5.066 4.340 0.000 0.000 0.271 191 R C -1.671 174.567 176.300 -0.103 0.000 1.021 191 R CA -0.974 55.099 56.100 -0.044 0.000 0.893 191 R CB 0.989 31.191 30.300 -0.162 0.000 1.244 191 R HN 0.590 nan 8.270 nan 0.000 0.464 192 L N 1.854 123.052 121.223 -0.042 0.000 2.499 192 L HA 0.058 4.398 4.340 0.000 0.000 0.273 192 L C 0.336 177.146 176.870 -0.099 0.000 1.195 192 L CA -0.074 54.718 54.840 -0.080 0.000 0.882 192 L CB 0.178 42.257 42.059 0.033 0.000 1.133 192 L HN 0.644 nan 8.230 nan 0.000 0.483 193 N N 5.668 124.311 118.700 -0.096 0.000 3.188 193 N HA 0.296 5.036 4.740 0.000 0.000 0.279 193 N C -0.800 174.684 175.510 -0.043 0.000 1.213 193 N CA -0.232 52.771 53.050 -0.078 0.000 1.138 193 N CB -0.207 38.238 38.487 -0.071 0.000 1.417 193 N HN 0.474 nan 8.380 nan 0.000 0.526 194 I N -2.427 118.133 120.570 -0.017 0.000 3.042 194 I HA 0.742 4.912 4.170 0.000 0.000 0.310 194 I C -0.084 176.079 176.117 0.075 0.000 1.117 194 I CA -1.758 59.558 61.300 0.025 0.000 1.003 194 I CB 1.528 39.547 38.000 0.031 0.000 1.228 194 I HN 0.033 nan 8.210 nan 0.000 0.443 195 A N 2.637 125.524 122.820 0.111 0.000 2.584 195 A HA 0.432 4.752 4.320 0.000 0.000 0.239 195 A C 0.756 178.474 177.584 0.224 0.000 1.043 195 A CA 0.388 52.539 52.037 0.191 0.000 0.756 195 A CB -0.435 18.691 19.000 0.210 0.000 0.963 195 A HN 1.241 nan 8.150 nan 0.000 0.511 196 A N 2.239 125.209 122.820 0.250 0.000 2.567 196 A HA 0.473 4.793 4.320 0.000 0.000 0.240 196 A C 1.741 179.482 177.584 0.262 0.000 1.053 196 A CA 0.919 53.109 52.037 0.257 0.000 0.755 196 A CB -0.696 18.353 19.000 0.081 0.000 0.978 196 A HN 2.800 nan 8.150 nan 0.000 0.507 197 G N 1.648 110.560 108.800 0.187 0.000 2.217 197 G HA2 -0.188 3.772 3.960 0.000 0.000 0.246 197 G HA3 -0.188 3.772 3.960 0.000 0.000 0.246 197 G C 0.637 175.591 174.900 0.089 0.000 0.990 197 G CA 1.083 46.257 45.100 0.124 0.000 0.627 197 G HN 2.056 nan 8.290 nan 0.000 0.522 198 T N -1.642 112.976 114.554 0.106 0.000 2.884 198 T HA 0.940 5.291 4.350 0.000 0.000 0.277 198 T C 0.222 174.958 174.700 0.060 0.000 0.976 198 T CA 0.608 62.745 62.100 0.062 0.000 0.956 198 T CB 2.238 71.140 68.868 0.056 0.000 1.113 198 T HN 1.918 nan 8.240 nan 0.000 0.554 199 A N -0.220 122.617 122.820 0.028 0.000 2.583 199 A HA 0.745 5.066 4.320 0.000 0.000 0.289 199 A C -1.292 176.281 177.584 -0.018 0.000 1.151 199 A CA -0.847 51.205 52.037 0.025 0.000 0.695 199 A CB 1.449 20.457 19.000 0.014 0.000 1.290 199 A HN 0.899 nan 8.150 nan 0.000 0.419 200 V N 0.756 120.656 119.914 -0.023 0.000 2.540 200 V HA 0.583 4.703 4.120 0.000 0.000 0.302 200 V C 0.059 175.990 176.094 -0.271 0.000 1.035 200 V CA -0.617 61.583 62.300 -0.166 0.000 0.873 200 V CB 1.658 33.357 31.823 -0.206 0.000 0.992 200 V HN 0.899 nan 8.190 nan 0.000 0.428 201 R N 3.053 123.342 120.500 -0.352 0.000 2.407 201 R HA 0.589 4.929 4.340 0.000 0.000 0.303 201 R C -1.769 174.255 176.300 -0.460 0.000 0.981 201 R CA -0.433 55.507 56.100 -0.268 0.000 0.905 201 R CB 0.908 31.126 30.300 -0.137 0.000 1.099 201 R HN 0.551 nan 8.270 nan 0.000 0.459 202 F N 3.250 123.206 119.950 0.009 0.000 2.430 202 F HA 0.279 4.806 4.527 0.000 0.000 0.362 202 F C 0.172 175.977 175.800 0.008 0.000 1.103 202 F CA -0.764 57.247 58.000 0.018 0.000 1.045 202 F CB 1.379 40.398 39.000 0.033 0.000 1.276 202 F HN 0.313 nan 8.300 nan 0.000 0.444 203 E N 4.370 124.649 120.200 0.131 0.000 2.390 203 E HA 0.163 4.513 4.350 0.000 0.000 0.261 203 E C -2.325 174.333 176.600 0.097 0.000 1.076 203 E CA -1.979 54.469 56.400 0.080 0.000 0.905 203 E CB 0.303 30.027 29.700 0.039 0.000 0.984 203 E HN 0.193 nan 8.360 nan 0.000 0.427 204 P HA -0.083 nan 4.420 nan 0.000 0.261 204 P C 0.716 178.047 177.300 0.051 0.000 1.183 204 P CA 0.999 64.124 63.100 0.042 0.000 0.761 204 P CB 0.295 31.999 31.700 0.006 0.000 0.785 205 G N 2.469 111.306 108.800 0.062 0.000 2.217 205 G HA2 -0.202 3.758 3.960 0.000 0.000 0.246 205 G HA3 -0.202 3.758 3.960 0.000 0.000 0.246 205 G C 0.198 175.148 174.900 0.084 0.000 0.990 205 G CA 0.027 45.164 45.100 0.061 0.000 0.627 205 G HN 0.484 nan 8.290 nan 0.000 0.522 209 S N 1.376 117.136 115.700 0.101 0.000 2.537 209 S HA 0.535 5.005 4.470 0.000 0.000 0.275 209 S C -0.350 174.274 174.600 0.041 0.000 1.272 209 S CA -0.811 57.429 58.200 0.067 0.000 1.050 209 S CB 1.042 64.263 63.200 0.036 0.000 0.961 209 S HN 0.385 nan 8.310 nan 0.000 0.496 210 V N 0.930 120.847 119.914 0.004 0.000 2.876 210 V HA 0.746 4.866 4.120 0.000 0.000 0.312 210 V C -0.319 175.718 176.094 -0.096 0.000 1.085 210 V CA -0.753 61.515 62.300 -0.053 0.000 0.945 210 V CB 1.767 33.537 31.823 -0.089 0.000 1.017 210 V HN 0.656 nan 8.190 nan 0.000 0.428 211 T N 5.533 120.039 114.554 -0.081 0.000 2.767 211 T HA 0.711 5.061 4.350 0.000 0.000 0.288 211 T C -0.284 174.341 174.700 -0.125 0.000 0.963 211 T CA -0.205 61.865 62.100 -0.050 0.000 1.019 211 T CB 0.772 69.645 68.868 0.009 0.000 0.923 211 T HN 0.636 nan 8.240 nan 0.000 0.468 212 L N 3.241 124.376 121.223 -0.147 0.000 2.333 212 L HA 0.862 5.202 4.340 0.000 0.000 0.269 212 L C -0.205 176.575 176.870 -0.150 0.000 1.010 212 L CA -1.357 53.366 54.840 -0.195 0.000 0.818 212 L CB 1.851 43.747 42.059 -0.271 0.000 1.306 212 L HN 0.408 nan 8.230 nan 0.000 0.430 213 V N -1.720 118.106 119.914 -0.146 0.000 2.914 213 V HA 0.647 4.767 4.120 0.000 0.000 0.314 213 V C 0.091 176.106 176.094 -0.132 0.000 1.084 213 V CA -0.878 61.337 62.300 -0.142 0.000 0.963 213 V CB 1.597 33.349 31.823 -0.118 0.000 1.025 213 V HN 0.852 nan 8.190 nan 0.000 0.432 214 S N 3.282 118.906 115.700 -0.126 0.000 2.576 214 S HA 0.560 5.030 4.470 0.000 0.000 0.276 214 S C 0.254 174.801 174.600 -0.089 0.000 1.339 214 S CA -0.460 57.679 58.200 -0.102 0.000 1.039 214 S CB 0.426 63.572 63.200 -0.090 0.000 0.902 214 S HN 1.272 nan 8.310 nan 0.000 0.516 215 I N -0.880 119.642 120.570 -0.080 0.000 2.945 215 I HA 0.530 4.700 4.170 0.000 0.000 0.292 215 I C 0.305 176.396 176.117 -0.042 0.000 1.093 215 I CA -0.653 60.607 61.300 -0.067 0.000 1.336 215 I CB 0.407 38.385 38.000 -0.038 0.000 1.435 215 I HN 0.531 nan 8.210 nan 0.000 0.593 216 E N 1.707 121.890 120.200 -0.027 0.000 2.549 216 E HA 0.566 4.916 4.350 0.000 0.000 0.200 216 E C 0.405 176.996 176.600 -0.014 0.000 0.732 216 E CA 0.063 56.451 56.400 -0.021 0.000 0.987 216 E CB 0.065 29.751 29.700 -0.023 0.000 1.810 216 E HN 1.022 nan 8.360 nan 0.000 0.377 217 G N 1.142 109.929 108.800 -0.022 0.000 2.574 217 G HA2 -0.390 3.570 3.960 0.000 0.000 0.286 217 G HA3 -0.390 3.570 3.960 0.000 0.000 0.286 217 G C 0.526 175.418 174.900 -0.014 0.000 1.212 217 G CA 0.699 45.784 45.100 -0.026 0.000 0.979 217 G HN 0.507 nan 8.290 nan 0.000 0.557 218 N N 1.577 120.273 118.700 -0.007 0.000 2.512 218 N HA 0.109 4.849 4.740 0.000 0.000 0.183 218 N C 0.376 175.885 175.510 -0.001 0.000 1.073 218 N CA 0.782 53.832 53.050 -0.000 0.000 0.911 218 N CB -0.140 38.352 38.487 0.008 0.000 0.964 218 N HN 0.676 nan 8.380 nan 0.000 0.447 219 K N 0.222 120.620 120.400 -0.002 0.000 3.619 219 K HA -0.142 4.178 4.320 0.000 0.000 0.275 219 K C -1.492 175.094 176.600 -0.023 0.000 0.993 219 K CA 0.061 56.340 56.287 -0.013 0.000 0.787 219 K CB -1.544 30.943 32.500 -0.022 0.000 1.431 219 K HN 0.002 nan 8.250 nan 0.000 0.451 220 V N 2.665 122.573 119.914 -0.010 0.000 2.444 220 V HA 0.404 4.524 4.120 0.000 0.000 0.294 220 V C 0.486 176.530 176.094 -0.084 0.000 1.022 220 V CA -0.774 61.503 62.300 -0.037 0.000 0.850 220 V CB 1.679 33.494 31.823 -0.014 0.000 0.992 220 V HN 0.246 nan 8.190 nan 0.000 0.426 221 I N 5.713 126.164 120.570 -0.198 0.000 2.395 221 I HA 0.535 4.705 4.170 0.000 0.000 0.289 221 I C 0.342 176.244 176.117 -0.359 0.000 1.023 221 I CA -0.113 60.899 61.300 -0.480 0.000 1.350 221 I CB 0.727 38.434 38.000 -0.489 0.000 1.409 221 I HN 0.548 nan 8.210 nan 0.000 0.507 222 R N 3.599 123.845 120.500 -0.422 0.000 2.707 222 R HA 0.687 5.028 4.340 0.000 0.000 0.272 222 R C -0.128 176.071 176.300 -0.168 0.000 1.011 222 R CA -0.583 55.399 56.100 -0.197 0.000 0.893 222 R CB 2.122 32.376 30.300 -0.075 0.000 1.233 222 R HN 0.870 nan 8.270 nan 0.000 0.464 223 G N 0.425 109.172 108.800 -0.089 0.000 2.568 223 G HA2 0.149 4.109 3.960 0.000 0.000 0.222 223 G HA3 0.149 4.109 3.960 0.000 0.000 0.222 223 G C 0.498 175.369 174.900 -0.047 0.000 1.321 223 G CA -0.173 44.905 45.100 -0.036 0.000 0.893 223 G HN 1.347 nan 8.290 nan 0.000 0.569 224 G N -0.415 108.391 108.800 0.009 0.000 2.596 224 G HA2 -0.318 3.642 3.960 0.000 0.000 0.304 224 G HA3 -0.318 3.642 3.960 0.000 0.000 0.304 224 G C 0.859 175.831 174.900 0.119 0.000 1.189 224 G CA 1.108 46.255 45.100 0.078 0.000 0.986 224 G HN 1.749 nan 8.290 nan 0.000 0.548 225 N N 2.256 121.014 118.700 0.096 0.000 2.230 225 N HA 0.391 5.131 4.740 0.000 0.000 0.202 225 N C 1.337 176.840 175.510 -0.012 0.000 1.119 225 N CA 1.406 54.511 53.050 0.091 0.000 0.851 225 N CB 0.509 39.096 38.487 0.166 0.000 0.990 225 N HN 1.827 nan 8.380 nan 0.000 0.497 226 A N 0.753 123.549 122.820 -0.041 0.000 2.832 226 A HA -0.193 4.127 4.320 0.000 0.000 0.280 226 A C 1.324 178.847 177.584 -0.102 0.000 1.464 226 A CA 0.440 52.440 52.037 -0.062 0.000 0.804 226 A CB -2.060 16.922 19.000 -0.029 0.000 1.020 226 A HN 0.242 nan 8.150 nan 0.000 0.563 227 I N -1.535 118.938 120.570 -0.162 0.000 2.233 227 I HA -0.046 4.124 4.170 0.000 0.000 0.243 227 I C 2.091 178.137 176.117 -0.118 0.000 1.093 227 I CA 2.102 63.266 61.300 -0.227 0.000 1.380 227 I CB -0.815 36.952 38.000 -0.388 0.000 1.067 227 I HN 0.914 nan 8.210 nan 0.000 0.413 228 A N 0.619 123.398 122.820 -0.069 0.000 2.855 228 A HA 0.113 4.433 4.320 0.000 0.000 0.301 228 A C 0.232 177.809 177.584 -0.012 0.000 1.076 228 A CA -0.456 51.600 52.037 0.032 0.000 1.004 228 A CB -0.371 18.746 19.000 0.196 0.000 1.152 228 A HN 0.281 nan 8.150 nan 0.000 0.531 229 D N 1.102 121.467 120.400 -0.057 0.000 2.493 229 D HA 0.384 5.024 4.640 0.000 0.000 0.240 229 D C 0.572 176.848 176.300 -0.040 0.000 1.142 229 D CA 2.374 56.328 54.000 -0.077 0.000 0.872 229 D CB 0.736 41.498 40.800 -0.063 0.000 1.173 229 D HN 0.885 nan 8.370 nan 0.000 0.467 230 G N 3.436 112.201 108.800 -0.057 0.000 2.371 230 G HA2 -0.074 3.886 3.960 0.000 0.000 0.663 230 G HA3 -0.074 3.886 3.960 0.000 0.000 0.663 230 G C -3.013 171.875 174.900 -0.020 0.000 1.311 230 G CA -0.785 44.300 45.100 -0.024 0.000 0.985 230 G HN 0.462 nan 8.290 nan 0.000 0.566 231 P HA 0.343 nan 4.420 nan 0.000 0.268 231 P C 0.412 177.737 177.300 0.042 0.000 1.205 231 P CA -0.005 63.099 63.100 0.006 0.000 0.771 231 P CB 1.106 32.815 31.700 0.014 0.000 0.858 232 V N 4.886 124.804 119.914 0.005 0.000 2.409 232 V HA 0.037 4.157 4.120 0.000 0.000 0.270 232 V C 0.769 176.950 176.094 0.145 0.000 1.019 232 V CA 0.822 63.147 62.300 0.041 0.000 1.066 232 V CB -1.399 30.368 31.823 -0.094 0.000 1.021 232 V HN 0.837 nan 8.190 nan 0.000 0.476 233 N N 1.993 120.844 118.700 0.251 0.000 3.116 233 N HA 0.209 4.949 4.740 0.000 0.000 0.244 233 N C 0.320 175.885 175.510 0.092 0.000 1.485 233 N CA -0.857 52.277 53.050 0.140 0.000 0.884 233 N CB 1.107 39.637 38.487 0.072 0.000 1.415 233 N HN 0.185 nan 8.380 nan 0.000 0.524 234 E N -0.667 119.550 120.200 0.029 0.000 2.085 234 E HA -0.167 4.183 4.350 0.000 0.000 0.194 234 E C 0.706 177.264 176.600 -0.070 0.000 0.994 234 E CA 2.332 58.713 56.400 -0.032 0.000 0.801 234 E CB -0.147 29.542 29.700 -0.018 0.000 0.743 234 E HN 0.686 nan 8.360 nan 0.000 0.453 235 T N 0.931 115.462 114.554 -0.040 0.000 2.746 235 T HA -0.104 4.246 4.350 0.000 0.000 0.267 235 T C 1.495 176.153 174.700 -0.070 0.000 1.039 235 T CA 1.160 63.230 62.100 -0.051 0.000 1.142 235 T CB -0.196 68.655 68.868 -0.029 0.000 0.866 235 T HN 0.124 nan 8.240 nan 0.000 0.444 236 N N 1.131 119.808 118.700 -0.039 0.000 2.331 236 N HA 0.020 4.760 4.740 0.000 0.000 0.180 236 N C 1.718 177.108 175.510 -0.201 0.000 1.019 236 N CA 0.378 53.413 53.050 -0.027 0.000 0.881 236 N CB -0.419 38.134 38.487 0.109 0.000 0.972 236 N HN 0.246 nan 8.380 nan 0.000 0.435 237 L N 1.785 122.737 121.223 -0.452 0.000 2.027 237 L HA -0.057 4.283 4.340 0.000 0.000 0.206 237 L C 1.858 178.451 176.870 -0.461 0.000 1.074 237 L CA 1.819 56.090 54.840 -0.949 0.000 0.745 237 L CB -0.544 41.016 42.059 -0.832 0.000 0.898 237 L HN -0.074 nan 8.230 nan 0.000 0.433 238 E N 0.266 120.306 120.200 -0.267 0.000 2.110 238 E HA -0.142 4.208 4.350 0.000 0.000 0.193 238 E C 2.241 178.770 176.600 -0.118 0.000 0.988 238 E CA 1.321 57.622 56.400 -0.165 0.000 0.804 238 E CB -0.583 29.047 29.700 -0.116 0.000 0.745 238 E HN 0.642 nan 8.360 nan 0.000 0.458 239 A N 1.320 124.071 122.820 -0.114 0.000 1.930 239 A HA -0.057 4.263 4.320 0.000 0.000 0.217 239 A C 2.402 179.962 177.584 -0.041 0.000 1.175 239 A CA 1.948 53.948 52.037 -0.062 0.000 0.627 239 A CB -0.521 18.444 19.000 -0.058 0.000 0.815 239 A HN 0.262 nan 8.150 nan 0.000 0.443 240 A N -0.766 121.988 122.820 -0.110 0.000 1.877 240 A HA -0.111 4.210 4.320 0.000 0.000 0.216 240 A C 2.134 179.632 177.584 -0.142 0.000 1.186 240 A CA 1.986 53.955 52.037 -0.112 0.000 0.620 240 A CB -0.475 18.460 19.000 -0.108 0.000 0.822 240 A HN 0.406 nan 8.150 nan 0.000 0.443 241 M N -0.683 118.812 119.600 -0.175 0.000 2.213 241 M HA -0.110 4.370 4.480 0.000 0.000 0.263 241 M C 2.027 178.248 176.300 -0.131 0.000 1.062 241 M CA 1.556 56.737 55.300 -0.199 0.000 1.105 241 M CB -1.608 30.861 32.600 -0.220 0.000 1.385 241 M HN 0.728 nan 8.290 nan 0.000 0.417 242 H N 0.303 119.286 119.070 -0.144 0.000 2.357 242 H HA -0.029 4.527 4.556 0.000 0.000 0.301 242 H C 1.792 177.061 175.328 -0.098 0.000 1.082 242 H CA 1.830 57.816 56.048 -0.104 0.000 1.342 242 H CB 0.278 29.988 29.762 -0.086 0.000 1.389 242 H HN 0.281 nan 8.280 nan 0.000 0.511 243 A N 0.833 123.581 122.820 -0.120 0.000 1.902 243 A HA -0.095 4.225 4.320 0.000 0.000 0.217 243 A C 2.866 180.316 177.584 -0.222 0.000 1.181 243 A CA 1.464 53.395 52.037 -0.178 0.000 0.623 243 A CB -0.945 17.979 19.000 -0.126 0.000 0.818 243 A HN 0.310 nan 8.150 nan 0.000 0.443 244 V N 0.249 120.028 119.914 -0.224 0.000 2.255 244 V HA -0.278 3.842 4.120 0.000 0.000 0.247 244 V C 2.808 178.850 176.094 -0.086 0.000 1.051 244 V CA 2.255 64.446 62.300 -0.182 0.000 1.018 244 V CB -0.741 30.956 31.823 -0.209 0.000 0.641 244 V HN 0.479 nan 8.190 nan 0.000 0.445 245 R N -0.295 120.118 120.500 -0.145 0.000 2.075 245 R HA -0.086 4.254 4.340 0.000 0.000 0.232 245 R C 2.665 178.888 176.300 -0.129 0.000 1.126 245 R CA 1.657 57.689 56.100 -0.113 0.000 0.963 245 R CB -1.254 28.974 30.300 -0.121 0.000 0.858 245 R HN 0.546 nan 8.270 nan 0.000 0.435 246 S N 0.933 116.488 115.700 -0.241 0.000 2.370 246 S HA -0.120 4.350 4.470 0.000 0.000 0.226 246 S C 1.499 176.050 174.600 -0.082 0.000 1.033 246 S CA 1.354 59.421 58.200 -0.222 0.000 1.011 246 S CB 0.089 63.051 63.200 -0.395 0.000 0.852 246 S HN 0.283 nan 8.310 nan 0.000 0.457 247 K N -0.067 120.324 120.400 -0.014 0.000 2.404 247 K HA 0.248 4.568 4.320 0.000 0.000 0.194 247 K C 0.971 177.663 176.600 0.153 0.000 1.023 247 K CA 0.453 56.811 56.287 0.118 0.000 1.094 247 K CB 0.111 32.750 32.500 0.231 0.000 0.841 247 K HN 0.482 nan 8.250 nan 0.000 0.523 248 G N 1.663 110.511 108.800 0.080 0.000 2.182 248 G HA2 -0.252 3.708 3.960 0.000 0.000 0.248 248 G HA3 -0.252 3.708 3.960 0.000 0.000 0.248 248 G C -0.361 174.488 174.900 -0.086 0.000 1.042 248 G CA -0.435 44.649 45.100 -0.027 0.000 0.775 248 G HN 0.149 nan 8.290 nan 0.000 0.501 249 F N 1.345 121.203 119.950 -0.154 0.000 2.420 249 F HA 0.531 5.058 4.527 0.000 0.000 0.352 249 F C 1.492 177.186 175.800 -0.178 0.000 1.108 249 F CA -0.253 57.648 58.000 -0.166 0.000 1.162 249 F CB 1.221 40.145 39.000 -0.127 0.000 1.118 249 F HN 0.252 nan 8.300 nan 0.000 0.510 250 G N 3.700 112.425 108.800 -0.125 0.000 2.138 250 G HA2 -0.001 3.959 3.960 0.000 0.000 0.256 250 G HA3 -0.001 3.959 3.960 0.000 0.000 0.256 250 G C -0.661 174.146 174.900 -0.155 0.000 1.141 250 G CA 0.069 45.086 45.100 -0.138 0.000 0.967 250 G HN 0.813 nan 8.290 nan 0.000 0.435 251 H N 1.735 120.683 119.070 -0.203 0.000 2.856 251 H HA 0.518 5.074 4.556 0.000 0.000 0.355 251 H C -1.427 173.825 175.328 -0.127 0.000 1.079 251 H CA -0.615 55.299 56.048 -0.223 0.000 1.240 251 H CB 2.158 31.816 29.762 -0.173 0.000 1.701 251 H HN 0.532 nan 8.280 nan 0.000 0.527 252 E N 3.992 123.726 120.200 -0.778 0.000 2.287 252 E HA 0.074 4.424 4.350 0.000 0.000 0.274 252 E C -1.194 175.096 176.600 -0.517 0.000 0.896 252 E CA -0.562 55.500 56.400 -0.564 0.000 0.788 252 E CB 2.226 31.792 29.700 -0.224 0.000 1.244 252 E HN 0.676 nan 8.360 nan 0.000 0.408 253 E N 3.103 123.041 120.200 -0.437 0.000 2.414 253 E HA -0.061 4.289 4.350 0.000 0.000 0.263 253 E C -0.586 175.979 176.600 -0.059 0.000 1.000 253 E CA 0.397 56.706 56.400 -0.152 0.000 0.914 253 E CB 0.745 30.415 29.700 -0.049 0.000 0.948 253 E HN 0.420 nan 8.360 nan 0.000 0.444 254 E N 3.505 123.710 120.200 0.008 0.000 2.916 254 E HA 0.124 4.474 4.350 0.000 0.000 0.217 254 E C 0.837 177.460 176.600 0.038 0.000 1.100 254 E CA 0.004 56.421 56.400 0.028 0.000 0.891 254 E CB 0.355 30.089 29.700 0.057 0.000 1.311 254 E HN 0.649 nan 8.360 nan 0.000 0.421 255 K N 2.154 122.570 120.400 0.027 0.000 2.107 255 K HA -0.192 4.128 4.320 0.000 0.000 0.211 255 K C 0.909 177.530 176.600 0.035 0.000 1.049 255 K CA 2.043 58.348 56.287 0.031 0.000 0.927 255 K CB -0.415 32.099 32.500 0.023 0.000 0.714 255 K HN 0.384 nan 8.250 nan 0.000 0.452 256 D N -0.267 120.155 120.400 0.035 0.000 2.491 256 D HA 0.342 4.982 4.640 0.000 0.000 0.228 256 D C -0.150 176.179 176.300 0.050 0.000 1.183 256 D CA 0.294 54.318 54.000 0.040 0.000 0.827 256 D CB -0.034 40.786 40.800 0.033 0.000 0.989 256 D HN 0.569 nan 8.370 nan 0.000 0.494 257 A N 0.626 123.480 122.820 0.056 0.000 2.488 257 A HA 0.217 4.537 4.320 0.000 0.000 0.249 257 A C 0.800 178.437 177.584 0.089 0.000 1.083 257 A CA -0.104 51.974 52.037 0.069 0.000 0.768 257 A CB 0.354 19.396 19.000 0.071 0.000 1.017 257 A HN 0.048 nan 8.150 nan 0.000 0.496 258 S N 2.256 118.028 115.700 0.121 0.000 2.537 258 S HA 0.211 4.681 4.470 0.000 0.000 0.286 258 S C 0.104 174.879 174.600 0.292 0.000 1.299 258 S CA 0.134 58.458 58.200 0.207 0.000 1.067 258 S CB 0.120 63.430 63.200 0.184 0.000 0.864 258 S HN 0.723 nan 8.310 nan 0.000 0.494 259 E N 0.651 120.969 120.200 0.196 0.000 2.312 259 E HA 0.746 5.096 4.350 0.000 0.000 0.267 259 E C 0.349 176.759 176.600 -0.316 0.000 0.894 259 E CA -0.937 55.390 56.400 -0.121 0.000 0.773 259 E CB 2.275 31.896 29.700 -0.132 0.000 1.241 259 E HN 0.675 nan 8.360 nan 0.000 0.432 260 G N 0.766 109.007 108.800 -0.931 0.000 2.512 260 G HA2 0.448 4.408 3.960 0.000 0.000 0.186 260 G HA3 0.448 4.408 3.960 0.000 0.000 0.186 260 G C -1.862 172.437 174.900 -1.002 0.000 1.189 260 G CA -0.646 44.006 45.100 -0.746 0.000 0.994 260 G HN 0.280 nan 8.290 nan 0.000 0.506 261 F N 0.445 120.139 119.950 -0.427 0.000 2.613 261 F HA 0.628 5.155 4.527 0.000 0.000 0.310 261 F C 0.561 176.299 175.800 -0.103 0.000 1.085 261 F CA -0.454 57.404 58.000 -0.236 0.000 0.945 261 F CB 2.284 41.217 39.000 -0.112 0.000 1.298 261 F HN 0.570 nan 8.300 nan 0.000 0.455 262 T N -1.099 113.517 114.554 0.103 0.000 2.909 262 T HA 0.875 5.225 4.350 0.000 0.000 0.289 262 T C -0.407 174.357 174.700 0.108 0.000 1.005 262 T CA -0.351 61.808 62.100 0.098 0.000 1.084 262 T CB 1.520 70.403 68.868 0.026 0.000 0.975 262 T HN 1.014 nan 8.240 nan 0.000 0.509 263 K N -0.420 120.037 120.400 0.095 0.000 2.428 263 K HA 0.825 5.146 4.320 0.000 0.000 0.279 263 K C -0.174 176.477 176.600 0.085 0.000 1.041 263 K CA -0.351 55.985 56.287 0.082 0.000 0.887 263 K CB -0.141 32.411 32.500 0.087 0.000 1.535 263 K HN 1.024 nan 8.250 nan 0.000 0.417 264 E N 1.462 121.710 120.200 0.080 0.000 2.110 264 E HA 0.434 4.784 4.350 0.000 0.000 0.300 264 E C -0.618 176.051 176.600 0.116 0.000 1.278 264 E CA 0.248 56.707 56.400 0.099 0.000 1.365 264 E CB -0.401 29.340 29.700 0.069 0.000 1.283 264 E HN 0.557 nan 8.360 nan 0.000 0.490 265 D N 0.533 121.031 120.400 0.165 0.000 2.763 265 D HA 0.343 4.983 4.640 0.000 0.000 0.235 265 D C -2.356 174.100 176.300 0.259 0.000 1.334 265 D CA -2.071 52.025 54.000 0.161 0.000 0.950 265 D CB 2.391 43.267 40.800 0.126 0.000 1.433 265 D HN -0.064 nan 8.370 nan 0.000 0.580 266 P HA -0.008 nan 4.420 nan 0.000 0.225 266 P C 0.633 178.010 177.300 0.127 0.000 1.148 266 P CA 0.616 63.771 63.100 0.091 0.000 0.779 266 P CB 0.299 31.938 31.700 -0.102 0.000 0.780 267 N N -1.651 117.121 118.700 0.120 0.000 2.415 267 N HA -0.033 4.707 4.740 0.000 0.000 0.176 267 N C 0.359 175.937 175.510 0.113 0.000 1.042 267 N CA 0.179 53.282 53.050 0.088 0.000 0.902 267 N CB -0.781 37.738 38.487 0.054 0.000 0.986 267 N HN 0.128 nan 8.380 nan 0.000 0.447 268 C N 5.125 124.523 119.300 0.162 0.000 2.601 268 C HA 0.068 4.528 4.460 0.000 0.000 0.405 268 C C -0.411 174.634 174.990 0.092 0.000 1.441 268 C CA -1.306 57.801 59.018 0.148 0.000 1.555 268 C CB 0.114 27.970 27.740 0.193 0.000 2.450 268 C HN 0.330 nan 8.230 nan 0.000 0.614 269 P HA -0.105 nan 4.420 nan 0.000 0.222 269 P C 0.971 178.083 177.300 -0.312 0.000 1.147 269 P CA 1.607 64.567 63.100 -0.233 0.000 0.790 269 P CB -0.072 31.379 31.700 -0.415 0.000 0.780 270 F N -0.685 119.264 119.950 -0.002 0.000 2.710 270 F HA 0.093 4.620 4.527 0.000 0.000 0.298 270 F C 1.291 177.027 175.800 -0.108 0.000 1.137 270 F CA -0.183 57.789 58.000 -0.047 0.000 1.444 270 F CB -0.660 38.314 39.000 -0.043 0.000 1.111 270 F HN -0.162 nan 8.300 nan 0.000 0.580 271 N N 0.473 119.159 118.700 -0.023 0.000 2.525 271 N HA 0.142 4.882 4.740 0.000 0.000 0.271 271 N C -0.211 174.996 175.510 -0.504 0.000 1.194 271 N CA 0.407 53.262 53.050 -0.325 0.000 0.964 271 N CB 0.852 38.988 38.487 -0.584 0.000 1.126 271 N HN -0.131 nan 8.380 nan 0.000 0.452 272 T N 2.250 116.473 114.554 -0.552 0.000 2.809 272 T HA 0.519 4.869 4.350 0.000 0.000 0.284 272 T C -0.496 173.923 174.700 -0.469 0.000 0.992 272 T CA -0.368 61.514 62.100 -0.362 0.000 0.957 272 T CB 0.156 68.943 68.868 -0.134 0.000 0.942 272 T HN 0.172 nan 8.240 nan 0.000 0.439 273 F N 2.344 122.321 119.950 0.046 0.000 2.523 273 F HA 0.766 5.293 4.527 0.000 0.000 0.329 273 F C 0.148 175.983 175.800 0.058 0.000 1.061 273 F CA -1.328 56.696 58.000 0.041 0.000 0.967 273 F CB 1.418 40.435 39.000 0.028 0.000 1.218 273 F HN 0.346 nan 8.300 nan 0.000 0.480 274 I N 0.719 121.442 120.570 0.255 0.000 2.610 274 I HA 0.295 4.465 4.170 0.000 0.000 0.289 274 I C -1.116 175.101 176.117 0.168 0.000 1.163 274 I CA -0.539 60.886 61.300 0.208 0.000 1.044 274 I CB 1.427 39.566 38.000 0.232 0.000 1.251 274 I HN 0.718 nan 8.210 nan 0.000 0.424 275 H N 5.896 125.020 119.070 0.091 0.000 2.790 275 H HA 0.237 4.793 4.556 0.000 0.000 0.358 275 H C 1.025 176.391 175.328 0.064 0.000 1.103 275 H CA 0.546 56.625 56.048 0.051 0.000 1.426 275 H CB 1.085 30.868 29.762 0.035 0.000 1.424 275 H HN 0.560 nan 8.280 nan 0.000 0.599 276 R N 2.690 123.030 120.500 -0.268 0.000 2.105 276 R HA -0.189 4.151 4.340 0.000 0.000 0.239 276 R C 2.149 178.559 176.300 0.184 0.000 1.135 276 R CA 1.858 57.922 56.100 -0.059 0.000 0.967 276 R CB -0.039 30.158 30.300 -0.172 0.000 0.861 276 R HN 0.637 nan 8.270 nan 0.000 0.442 277 K N 1.012 121.658 120.400 0.410 0.000 2.026 277 K HA -0.235 4.085 4.320 0.000 0.000 0.208 277 K C 1.999 178.700 176.600 0.169 0.000 1.048 277 K CA 1.894 58.342 56.287 0.268 0.000 0.929 277 K CB -0.021 32.604 32.500 0.209 0.000 0.713 277 K HN 0.150 nan 8.250 nan 0.000 0.439 278 E N -0.749 119.558 120.200 0.179 0.000 2.152 278 E HA -0.215 4.135 4.350 0.000 0.000 0.192 278 E C 1.905 178.546 176.600 0.067 0.000 0.983 278 E CA 0.756 57.211 56.400 0.090 0.000 0.818 278 E CB -0.188 29.565 29.700 0.089 0.000 0.758 278 E HN 0.423 nan 8.360 nan 0.000 0.467 279 Y N 0.774 121.103 120.300 0.049 0.000 2.145 279 Y HA -0.180 4.370 4.550 0.000 0.000 0.286 279 Y C 2.137 178.072 175.900 0.058 0.000 1.145 279 Y CA 1.918 60.073 58.100 0.092 0.000 1.148 279 Y CB -0.559 37.951 38.460 0.084 0.000 0.981 279 Y HN 0.140 nan 8.280 nan 0.000 0.507 280 A N 0.281 123.265 122.820 0.274 0.000 1.933 280 A HA -0.255 4.065 4.320 0.000 0.000 0.218 280 A C 2.003 179.599 177.584 0.020 0.000 1.175 280 A CA 2.057 54.201 52.037 0.178 0.000 0.628 280 A CB -1.058 18.037 19.000 0.160 0.000 0.814 280 A HN 0.727 nan 8.150 nan 0.000 0.444 281 N N -1.084 117.603 118.700 -0.021 0.000 2.381 281 N HA -0.099 4.641 4.740 0.000 0.000 0.182 281 N C 1.666 177.065 175.510 -0.184 0.000 1.025 281 N CA 1.080 54.091 53.050 -0.066 0.000 0.888 281 N CB -0.036 38.425 38.487 -0.042 0.000 0.965 281 N HN 0.510 nan 8.380 nan 0.000 0.438 282 K N -0.431 119.737 120.400 -0.387 0.000 2.190 282 K HA 0.041 4.361 4.320 0.000 0.000 0.202 282 K C 0.379 176.496 176.600 -0.805 0.000 1.045 282 K CA 0.779 56.620 56.287 -0.744 0.000 0.976 282 K CB 0.313 32.016 32.500 -1.329 0.000 0.849 282 K HN 0.190 nan 8.250 nan 0.000 0.468 283 Y N -0.234 119.919 120.300 -0.245 0.000 2.527 283 Y HA 0.346 4.896 4.550 0.000 0.000 0.247 283 Y C 0.519 176.396 175.900 -0.039 0.000 1.138 283 Y CA -0.257 57.726 58.100 -0.196 0.000 1.228 283 Y CB 1.111 39.317 38.460 -0.424 0.000 1.252 283 Y HN 0.129 nan 8.280 nan 0.000 0.531 284 G N 1.400 110.251 108.800 0.084 0.000 2.707 284 G HA2 -0.131 3.829 3.960 0.000 0.000 0.686 284 G HA3 -0.131 3.829 3.960 0.000 0.000 0.686 284 G C -2.970 172.071 174.900 0.233 0.000 1.315 284 G CA -1.111 44.073 45.100 0.140 0.000 0.832 284 G HN -0.025 nan 8.290 nan 0.000 0.573 285 P HA 0.461 nan 4.420 nan 0.000 0.273 285 P C 0.111 177.560 177.300 0.249 0.000 1.250 285 P CA 0.381 63.608 63.100 0.212 0.000 0.793 285 P CB 1.610 33.379 31.700 0.115 0.000 1.011 286 T N -1.362 113.302 114.554 0.184 0.000 2.773 286 T HA 0.321 4.671 4.350 0.000 0.000 0.278 286 T C -0.495 174.254 174.700 0.082 0.000 1.011 286 T CA -0.403 61.791 62.100 0.157 0.000 1.014 286 T CB 0.093 69.026 68.868 0.108 0.000 1.293 286 T HN 0.316 nan 8.240 nan 0.000 0.554 287 T N 1.851 116.450 114.554 0.076 0.000 2.765 287 T HA 0.342 4.692 4.350 0.000 0.000 0.275 287 T C 1.412 176.122 174.700 0.017 0.000 1.007 287 T CA 1.389 63.511 62.100 0.036 0.000 1.175 287 T CB -0.476 68.405 68.868 0.021 0.000 0.993 287 T HN 1.296 nan 8.240 nan 0.000 0.510 288 G N 3.424 112.229 108.800 0.010 0.000 2.284 288 G HA2 -0.214 3.746 3.960 0.000 0.000 0.230 288 G HA3 -0.214 3.746 3.960 0.000 0.000 0.230 288 G C -0.055 174.845 174.900 -0.000 0.000 1.021 288 G CA -0.150 44.950 45.100 -0.000 0.000 0.619 288 G HN 0.688 nan 8.290 nan 0.000 0.510 289 D N 1.501 121.906 120.400 0.008 0.000 2.357 289 D HA 0.526 5.166 4.640 0.000 0.000 0.242 289 D C 0.611 176.912 176.300 0.002 0.000 1.153 289 D CA 0.458 54.464 54.000 0.011 0.000 0.918 289 D CB 0.751 41.570 40.800 0.032 0.000 1.181 289 D HN 0.478 nan 8.370 nan 0.000 0.435 290 K N 0.724 121.120 120.400 -0.006 0.000 2.318 290 K HA 0.650 4.970 4.320 0.000 0.000 0.249 290 K C -0.511 176.067 176.600 -0.036 0.000 0.942 290 K CA -0.734 55.538 56.287 -0.025 0.000 0.808 290 K CB 2.099 34.583 32.500 -0.027 0.000 1.189 290 K HN 0.279 nan 8.250 nan 0.000 0.428 291 I N 1.600 122.129 120.570 -0.069 0.000 2.498 291 I HA 0.352 4.522 4.170 0.000 0.000 0.290 291 I C -0.282 175.756 176.117 -0.132 0.000 1.032 291 I CA -0.918 60.328 61.300 -0.090 0.000 1.073 291 I CB 2.032 39.966 38.000 -0.110 0.000 1.251 291 I HN 0.438 nan 8.210 nan 0.000 0.426 292 R N 6.461 126.893 120.500 -0.113 0.000 2.298 292 R HA 0.445 4.785 4.340 0.000 0.000 0.310 292 R C -1.030 175.168 176.300 -0.170 0.000 1.068 292 R CA -0.516 55.508 56.100 -0.125 0.000 0.957 292 R CB 0.656 30.903 30.300 -0.089 0.000 1.003 292 R HN 0.623 nan 8.270 nan 0.000 0.454 293 L N 6.380 127.460 121.223 -0.239 0.000 2.342 293 L HA 0.214 4.554 4.340 0.000 0.000 0.285 293 L C 1.344 178.156 176.870 -0.097 0.000 1.095 293 L CA 0.371 55.025 54.840 -0.311 0.000 0.843 293 L CB 0.400 42.117 42.059 -0.571 0.000 1.201 293 L HN 1.117 nan 8.230 nan 0.000 0.445 294 G N 3.859 112.648 108.800 -0.019 0.000 2.582 294 G HA2 -0.369 3.591 3.960 0.000 0.000 0.288 294 G HA3 -0.369 3.591 3.960 0.000 0.000 0.288 294 G C 0.315 175.230 174.900 0.025 0.000 1.247 294 G CA 0.421 45.531 45.100 0.016 0.000 0.972 294 G HN 0.913 nan 8.290 nan 0.000 0.557 295 D N 0.908 121.367 120.400 0.097 0.000 2.491 295 D HA 0.294 4.935 4.640 0.000 0.000 0.228 295 D C 1.317 177.644 176.300 0.044 0.000 1.183 295 D CA 0.960 54.993 54.000 0.055 0.000 0.827 295 D CB -0.660 40.177 40.800 0.062 0.000 0.989 295 D HN 0.873 nan 8.370 nan 0.000 0.494 296 T N -1.492 113.081 114.554 0.031 0.000 2.814 296 T HA 0.169 4.519 4.350 0.000 0.000 0.284 296 T C 1.006 175.703 174.700 -0.004 0.000 0.998 296 T CA -0.530 61.587 62.100 0.028 0.000 0.935 296 T CB 0.839 69.727 68.868 0.034 0.000 1.167 296 T HN 0.026 nan 8.240 nan 0.000 0.545 297 N N -0.479 118.221 118.700 -0.001 0.000 2.270 297 N HA 0.139 4.879 4.740 0.000 0.000 0.198 297 N C -0.134 175.361 175.510 -0.025 0.000 1.117 297 N CA -0.235 52.807 53.050 -0.012 0.000 0.845 297 N CB -0.551 37.935 38.487 -0.001 0.000 0.980 297 N HN 0.591 nan 8.380 nan 0.000 0.486 298 L N 0.836 122.035 121.223 -0.041 0.000 2.305 298 L HA 0.383 4.724 4.340 0.000 0.000 0.281 298 L C -0.105 176.705 176.870 -0.101 0.000 1.085 298 L CA -0.516 54.286 54.840 -0.062 0.000 0.813 298 L CB 1.083 43.099 42.059 -0.073 0.000 1.157 298 L HN -0.011 nan 8.230 nan 0.000 0.436 299 L N 3.590 124.765 121.223 -0.080 0.000 2.325 299 L HA 0.643 4.984 4.340 0.000 0.000 0.281 299 L C -0.016 176.799 176.870 -0.093 0.000 1.004 299 L CA -0.498 54.289 54.840 -0.089 0.000 0.823 299 L CB 1.779 43.806 42.059 -0.053 0.000 1.236 299 L HN 0.679 nan 8.230 nan 0.000 0.415 300 A N 3.158 125.897 122.820 -0.134 0.000 2.290 300 A HA 0.524 4.844 4.320 0.000 0.000 0.310 300 A C -0.456 177.083 177.584 -0.075 0.000 1.202 300 A CA -0.411 51.553 52.037 -0.123 0.000 0.837 300 A CB 0.987 19.861 19.000 -0.211 0.000 1.139 300 A HN 0.757 nan 8.150 nan 0.000 0.509 301 E N 2.780 122.956 120.200 -0.039 0.000 2.166 301 E HA 0.400 4.750 4.350 0.000 0.000 0.275 301 E C -0.708 175.888 176.600 -0.007 0.000 0.941 301 E CA -0.803 55.586 56.400 -0.018 0.000 0.784 301 E CB 0.747 30.444 29.700 -0.006 0.000 1.115 301 E HN 0.543 nan 8.360 nan 0.000 0.399 302 I N 4.774 125.347 120.570 0.005 0.000 2.581 302 I HA -0.064 4.106 4.170 0.000 0.000 0.285 302 I C 1.132 177.260 176.117 0.018 0.000 1.129 302 I CA 0.852 62.165 61.300 0.022 0.000 1.397 302 I CB 0.186 38.213 38.000 0.045 0.000 1.399 302 I HN 0.781 nan 8.210 nan 0.000 0.537 303 E N 5.998 126.210 120.200 0.019 0.000 2.158 303 E HA -0.059 4.291 4.350 0.000 0.000 0.191 303 E C 0.052 176.649 176.600 -0.005 0.000 0.982 303 E CA 0.753 57.159 56.400 0.011 0.000 0.823 303 E CB 0.288 29.999 29.700 0.017 0.000 0.766 303 E HN 0.653 nan 8.360 nan 0.000 0.468 304 K N -0.070 120.329 120.400 -0.002 0.000 2.597 304 K HA 0.395 4.715 4.320 0.000 0.000 0.282 304 K C -1.804 174.780 176.600 -0.026 0.000 0.975 304 K CA -0.925 55.329 56.287 -0.054 0.000 0.867 304 K CB 1.764 34.187 32.500 -0.129 0.000 1.465 304 K HN -0.254 nan 8.250 nan 0.000 0.417 305 D N 0.624 120.969 120.400 -0.092 0.000 2.757 305 D HA 0.279 4.919 4.640 0.000 0.000 0.249 305 D C -0.710 175.511 176.300 -0.131 0.000 1.168 305 D CA -0.555 53.441 54.000 -0.005 0.000 0.870 305 D CB 1.113 41.943 40.800 0.050 0.000 1.411 305 D HN 0.600 nan 8.370 nan 0.000 0.525 306 Y N 1.243 121.542 120.300 -0.002 0.000 2.546 306 Y HA 0.318 4.868 4.550 0.000 0.000 0.287 306 Y C 1.375 177.246 175.900 -0.049 0.000 1.158 306 Y CA 0.168 58.258 58.100 -0.016 0.000 1.307 306 Y CB 0.050 38.522 38.460 0.021 0.000 1.036 306 Y HN 0.409 nan 8.280 nan 0.000 0.532 307 A N 0.684 123.537 122.820 0.056 0.000 2.425 307 A HA 0.431 4.751 4.320 0.000 0.000 0.242 307 A C -0.413 177.058 177.584 -0.188 0.000 1.077 307 A CA -0.213 51.821 52.037 -0.006 0.000 0.781 307 A CB 0.078 19.134 19.000 0.094 0.000 1.020 307 A HN 0.330 nan 8.150 nan 0.000 0.494 308 L N 2.593 123.737 121.223 -0.132 0.000 2.324 308 L HA 0.242 4.583 4.340 0.000 0.000 0.274 308 L C -1.087 175.747 176.870 -0.061 0.000 1.012 308 L CA -0.787 53.944 54.840 -0.181 0.000 0.859 308 L CB 0.505 42.511 42.059 -0.090 0.000 1.224 308 L HN 0.645 nan 8.230 nan 0.000 0.429 309 Y N 2.941 123.246 120.300 0.009 0.000 2.887 309 Y HA 0.084 4.635 4.550 0.000 0.000 0.350 309 Y C 1.488 177.408 175.900 0.032 0.000 1.294 309 Y CA 1.068 59.191 58.100 0.039 0.000 1.622 309 Y CB -0.366 38.096 38.460 0.004 0.000 1.201 309 Y HN 0.850 nan 8.280 nan 0.000 0.546 310 G N 2.186 111.103 108.800 0.195 0.000 2.278 310 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 310 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 310 G C 0.525 175.523 174.900 0.163 0.000 1.000 310 G CA 0.085 45.263 45.100 0.130 0.000 0.635 310 G HN 0.522 nan 8.290 nan 0.000 0.495 311 D N 1.517 121.988 120.400 0.118 0.000 2.501 311 D HA 0.339 4.979 4.640 0.000 0.000 0.226 311 D C 0.462 176.744 176.300 -0.029 0.000 1.198 311 D CA -0.049 54.033 54.000 0.137 0.000 0.830 311 D CB 0.384 41.247 40.800 0.104 0.000 1.014 311 D HN 0.495 nan 8.370 nan 0.000 0.496 312 E N -0.093 120.037 120.200 -0.115 0.000 2.452 312 E HA -0.002 4.348 4.350 0.000 0.000 0.261 312 E C -0.074 176.449 176.600 -0.129 0.000 0.987 312 E CA 0.226 56.522 56.400 -0.175 0.000 0.926 312 E CB 0.566 29.965 29.700 -0.502 0.000 0.934 312 E HN 0.061 nan 8.360 nan 0.000 0.452 313 C N 4.362 123.631 119.300 -0.052 0.000 2.345 313 C HA 0.257 4.717 4.460 0.000 0.000 0.349 313 C C -0.087 174.933 174.990 0.049 0.000 1.130 313 C CA -0.719 58.286 59.018 -0.021 0.000 1.574 313 C CB -1.222 26.521 27.740 0.005 0.000 2.108 313 C HN 0.338 nan 8.230 nan 0.000 0.516 314 V N 4.772 124.720 119.914 0.055 0.000 2.448 314 V HA 0.413 4.533 4.120 0.000 0.000 0.295 314 V C -0.245 175.933 176.094 0.141 0.000 1.025 314 V CA -0.494 61.881 62.300 0.126 0.000 0.859 314 V CB 1.478 33.396 31.823 0.157 0.000 0.988 314 V HN 0.652 nan 8.190 nan 0.000 0.431 315 F N 3.945 123.912 119.950 0.028 0.000 2.397 315 F HA 0.903 5.430 4.527 0.000 0.000 0.331 315 F C 0.484 176.302 175.800 0.029 0.000 1.090 315 F CA 0.520 58.534 58.000 0.025 0.000 1.065 315 F CB 1.528 40.543 39.000 0.025 0.000 1.184 315 F HN 0.772 nan 8.300 nan 0.000 0.499 316 G N 2.347 110.496 108.800 -1.085 0.000 2.361 316 G HA2 0.366 4.326 3.960 0.000 0.000 0.305 316 G HA3 0.366 4.326 3.960 0.000 0.000 0.305 316 G C -0.775 173.837 174.900 -0.481 0.000 1.367 316 G CA -0.531 44.076 45.100 -0.821 0.000 0.951 316 G HN 1.080 nan 8.290 nan 0.000 0.615 317 G N -0.821 107.796 108.800 -0.305 0.000 2.313 317 G HA2 0.542 4.502 3.960 0.000 0.000 0.250 317 G HA3 0.542 4.502 3.960 0.000 0.000 0.250 317 G C 1.481 176.319 174.900 -0.102 0.000 1.281 317 G CA 1.759 46.760 45.100 -0.165 0.000 0.917 317 G HN 2.460 nan 8.290 nan 0.000 0.501 318 G N 1.535 110.300 108.800 -0.059 0.000 2.155 318 G HA2 -0.277 3.683 3.960 0.000 0.000 0.257 318 G HA3 -0.277 3.683 3.960 0.000 0.000 0.257 318 G C 0.677 175.583 174.900 0.009 0.000 0.983 318 G CA 1.030 46.122 45.100 -0.014 0.000 0.676 318 G HN 0.808 nan 8.290 nan 0.000 0.528 319 K N -1.074 119.310 120.400 -0.027 0.000 2.720 319 K HA 0.615 4.936 4.320 0.000 0.000 0.281 319 K C 1.789 178.402 176.600 0.023 0.000 1.019 319 K CA -0.260 56.025 56.287 -0.004 0.000 1.088 319 K CB 0.491 32.959 32.500 -0.053 0.000 1.449 319 K HN -0.033 nan 8.250 nan 0.000 0.542 320 V N 1.014 120.918 119.914 -0.018 0.000 2.379 320 V HA -0.118 4.002 4.120 0.000 0.000 0.245 320 V C 1.208 177.289 176.094 -0.022 0.000 1.044 320 V CA 1.155 63.389 62.300 -0.109 0.000 1.036 320 V CB -0.234 31.402 31.823 -0.312 0.000 0.664 320 V HN 0.502 nan 8.190 nan 0.000 0.453 321 I N 2.772 123.380 120.570 0.064 0.000 2.270 321 I HA 0.261 4.431 4.170 0.000 0.000 0.294 321 I C 0.449 176.669 176.117 0.171 0.000 1.164 321 I CA 0.746 62.128 61.300 0.136 0.000 1.680 321 I CB -1.676 36.470 38.000 0.243 0.000 1.494 321 I HN 0.325 nan 8.210 nan 0.000 0.767 322 R N 1.588 122.162 120.500 0.124 0.000 2.771 322 R HA 0.275 4.615 4.340 0.000 0.000 0.274 322 R C -0.655 175.719 176.300 0.124 0.000 0.987 322 R CA -1.142 55.039 56.100 0.135 0.000 0.908 322 R CB 1.873 32.255 30.300 0.135 0.000 1.213 322 R HN 0.202 nan 8.270 nan 0.000 0.468 323 D N 0.391 120.864 120.400 0.122 0.000 2.662 323 D HA 0.014 4.654 4.640 0.000 0.000 0.233 323 D C 1.192 177.557 176.300 0.108 0.000 1.129 323 D CA 2.542 56.607 54.000 0.108 0.000 0.851 323 D CB 0.351 41.209 40.800 0.097 0.000 1.152 323 D HN 0.690 nan 8.370 nan 0.000 0.507 324 G N 2.742 111.606 108.800 0.107 0.000 2.245 324 G HA2 -0.368 3.592 3.960 0.000 0.000 0.264 324 G HA3 -0.368 3.592 3.960 0.000 0.000 0.264 324 G C 0.796 175.825 174.900 0.215 0.000 0.985 324 G CA 0.952 46.131 45.100 0.131 0.000 0.625 324 G HN 0.523 nan 8.290 nan 0.000 0.536 325 M N -0.792 118.892 119.600 0.140 0.000 2.094 325 M HA 0.461 4.941 4.480 0.000 0.000 0.163 325 M C 2.563 178.909 176.300 0.075 0.000 1.495 325 M CA 1.044 56.399 55.300 0.093 0.000 1.481 325 M CB -0.390 32.265 32.600 0.092 0.000 0.856 325 M HN 0.107 nan 8.290 nan 0.000 0.650 326 G N -0.291 108.533 108.800 0.040 0.000 2.534 326 G HA2 -0.094 3.866 3.960 0.000 0.000 0.217 326 G HA3 -0.094 3.866 3.960 0.000 0.000 0.217 326 G C 0.597 175.513 174.900 0.026 0.000 1.128 326 G CA 0.093 45.191 45.100 -0.002 0.000 0.784 326 G HN 0.487 nan 8.290 nan 0.000 0.542 327 Q N 1.222 121.058 119.800 0.060 0.000 2.360 327 Q HA 0.445 4.785 4.340 0.000 0.000 0.254 327 Q C -0.160 175.892 176.000 0.086 0.000 0.975 327 Q CA -0.464 55.381 55.803 0.069 0.000 0.912 327 Q CB 0.747 29.542 28.738 0.095 0.000 1.212 327 Q HN 0.120 nan 8.270 nan 0.000 0.452 328 S N 2.532 118.272 115.700 0.067 0.000 2.558 328 S HA -0.014 4.456 4.470 0.000 0.000 0.288 328 S C 0.161 174.907 174.600 0.243 0.000 1.318 328 S CA -0.149 58.124 58.200 0.122 0.000 1.056 328 S CB 0.556 63.755 63.200 -0.002 0.000 0.853 328 S HN 0.847 nan 8.310 nan 0.000 0.505 329 C N 3.845 123.261 119.300 0.193 0.000 3.226 329 C HA 0.642 5.103 4.460 0.000 0.000 0.258 329 C C 0.972 176.007 174.990 0.076 0.000 1.688 329 C CA 0.073 59.161 59.018 0.116 0.000 1.774 329 C CB -0.797 26.984 27.740 0.069 0.000 3.167 329 C HN 0.963 nan 8.230 nan 0.000 0.509 330 G N 1.473 110.366 108.800 0.154 0.000 4.867 330 G HA2 0.375 4.336 3.960 0.000 0.000 0.258 330 G HA3 0.375 4.336 3.960 0.000 0.000 0.258 330 G C -0.321 174.652 174.900 0.121 0.000 0.999 330 G CA -0.045 45.105 45.100 0.083 0.000 0.797 330 G HN 0.719 nan 8.290 nan 0.000 0.505 331 H N -1.297 117.782 119.070 0.015 0.000 2.894 331 H HA 0.670 5.226 4.556 0.000 0.000 0.368 331 H C -3.110 172.227 175.328 0.015 0.000 1.181 331 H CA -2.289 53.769 56.048 0.017 0.000 1.146 331 H CB 0.794 30.569 29.762 0.021 0.000 1.839 331 H HN -0.101 nan 8.280 nan 0.000 0.557 332 P HA 0.190 nan 4.420 nan 0.000 0.275 332 P C -2.039 175.202 177.300 -0.098 0.000 1.227 332 P CA -1.269 61.787 63.100 -0.074 0.000 0.781 332 P CB 0.562 32.271 31.700 0.014 0.000 0.906 333 P HA -0.296 nan 4.420 nan 0.000 0.216 333 P C 1.245 178.564 177.300 0.031 0.000 1.157 333 P CA 2.125 65.187 63.100 -0.065 0.000 0.880 333 P CB -0.282 31.388 31.700 -0.050 0.000 0.791 334 A N -0.273 122.567 122.820 0.033 0.000 2.024 334 A HA -0.174 4.146 4.320 0.000 0.000 0.220 334 A C 1.981 179.610 177.584 0.074 0.000 1.164 334 A CA 1.719 53.784 52.037 0.047 0.000 0.643 334 A CB -1.555 17.465 19.000 0.034 0.000 0.806 334 A HN 0.430 nan 8.150 nan 0.000 0.451 335 I N -3.641 117.002 120.570 0.121 0.000 3.793 335 I HA 0.200 4.370 4.170 0.000 0.000 0.315 335 I C 0.126 176.318 176.117 0.124 0.000 1.275 335 I CA -0.273 61.099 61.300 0.120 0.000 1.214 335 I CB 0.034 38.106 38.000 0.120 0.000 1.018 335 I HN -0.045 nan 8.210 nan 0.000 0.439 336 S N 2.331 118.142 115.700 0.185 0.000 2.549 336 S HA 0.350 4.820 4.470 0.000 0.000 0.283 336 S C 0.237 174.871 174.600 0.057 0.000 1.320 336 S CA -0.419 57.863 58.200 0.137 0.000 1.058 336 S CB 0.793 64.131 63.200 0.231 0.000 0.882 336 S HN 0.272 nan 8.310 nan 0.000 0.498 337 L N 2.666 123.899 121.223 0.016 0.000 2.467 337 L HA 0.082 4.422 4.340 0.000 0.000 0.270 337 L C 1.205 178.084 176.870 0.015 0.000 1.205 337 L CA -0.367 54.480 54.840 0.011 0.000 0.828 337 L CB 0.316 42.373 42.059 -0.003 0.000 1.101 337 L HN 0.616 nan 8.230 nan 0.000 0.479 338 D N -0.065 120.343 120.400 0.013 0.000 2.123 338 D HA -0.001 4.639 4.640 0.000 0.000 0.200 338 D C 0.272 176.569 176.300 -0.005 0.000 0.976 338 D CA 1.238 55.243 54.000 0.008 0.000 0.831 338 D CB 0.328 41.135 40.800 0.011 0.000 0.974 338 D HN 0.535 nan 8.370 nan 0.000 0.469 339 T N -0.622 113.930 114.554 -0.005 0.000 2.923 339 T HA 0.462 4.812 4.350 0.000 0.000 0.311 339 T C -1.302 173.392 174.700 -0.010 0.000 1.183 339 T CA -0.601 61.489 62.100 -0.016 0.000 1.020 339 T CB 2.987 71.849 68.868 -0.010 0.000 1.165 339 T HN -0.218 nan 8.240 nan 0.000 0.482 340 V N 3.422 123.324 119.914 -0.019 0.000 2.588 340 V HA 0.637 4.757 4.120 0.000 0.000 0.304 340 V C -1.252 174.843 176.094 0.000 0.000 1.042 340 V CA -0.923 61.373 62.300 -0.007 0.000 0.877 340 V CB 1.257 33.074 31.823 -0.010 0.000 0.996 340 V HN 0.851 nan 8.190 nan 0.000 0.425 341 I N 6.753 127.334 120.570 0.018 0.000 2.306 341 I HA 0.315 4.485 4.170 0.000 0.000 0.288 341 I C 0.618 176.763 176.117 0.046 0.000 1.036 341 I CA -0.237 61.084 61.300 0.035 0.000 1.221 341 I CB 1.730 39.759 38.000 0.048 0.000 1.385 341 I HN 0.756 nan 8.210 nan 0.000 0.472 342 T N 2.435 117.022 114.554 0.055 0.000 2.889 342 T HA 0.220 4.570 4.350 0.000 0.000 0.291 342 T C 0.559 175.316 174.700 0.095 0.000 0.995 342 T CA -0.652 61.490 62.100 0.071 0.000 1.092 342 T CB 0.749 69.664 68.868 0.080 0.000 0.954 342 T HN 0.649 nan 8.240 nan 0.000 0.506 343 N N 0.232 118.995 118.700 0.104 0.000 2.688 343 N HA -0.159 4.581 4.740 0.000 0.000 0.258 343 N C -0.139 175.451 175.510 0.133 0.000 1.016 343 N CA 0.818 53.948 53.050 0.134 0.000 0.747 343 N CB -1.530 37.055 38.487 0.162 0.000 0.895 343 N HN 1.102 nan 8.380 nan 0.000 0.543 344 A N -0.176 122.715 122.820 0.119 0.000 2.309 344 A HA 0.558 4.879 4.320 0.000 0.000 0.298 344 A C 0.544 178.202 177.584 0.124 0.000 1.165 344 A CA -0.515 51.595 52.037 0.120 0.000 0.821 344 A CB 1.232 20.298 19.000 0.109 0.000 1.102 344 A HN 0.125 nan 8.150 nan 0.000 0.500 345 V N 4.458 124.444 119.914 0.121 0.000 2.368 345 V HA 0.185 4.305 4.120 0.000 0.000 0.266 345 V C 0.003 176.156 176.094 0.097 0.000 1.045 345 V CA 0.177 62.537 62.300 0.100 0.000 0.899 345 V CB 0.377 32.242 31.823 0.071 0.000 1.006 345 V HN 0.668 nan 8.190 nan 0.000 0.470 346 I N 6.579 127.203 120.570 0.091 0.000 2.331 346 I HA 0.427 4.597 4.170 0.000 0.000 0.292 346 I C -0.210 175.947 176.117 0.066 0.000 0.998 346 I CA -0.168 61.189 61.300 0.095 0.000 1.267 346 I CB 1.257 39.309 38.000 0.087 0.000 1.386 346 I HN 0.402 nan 8.210 nan 0.000 0.476 347 I N 5.832 126.450 120.570 0.079 0.000 2.382 347 I HA 0.356 4.526 4.170 0.000 0.000 0.286 347 I C -0.854 175.331 176.117 0.113 0.000 1.002 347 I CA -0.171 61.157 61.300 0.047 0.000 1.135 347 I CB 1.547 39.520 38.000 -0.045 0.000 1.288 347 I HN 0.588 nan 8.210 nan 0.000 0.448 348 D N 2.911 123.360 120.400 0.082 0.000 2.583 348 D HA 0.189 4.829 4.640 0.000 0.000 0.248 348 D C 0.404 176.738 176.300 0.057 0.000 1.209 348 D CA -0.519 53.539 54.000 0.096 0.000 0.848 348 D CB 1.266 42.096 40.800 0.050 0.000 1.431 348 D HN 0.417 nan 8.370 nan 0.000 0.436 349 Y N 0.145 120.450 120.300 0.008 0.000 2.403 349 Y HA -0.029 4.521 4.550 0.000 0.000 0.291 349 Y C 1.694 177.589 175.900 -0.008 0.000 1.143 349 Y CA 1.706 59.790 58.100 -0.026 0.000 1.257 349 Y CB -1.053 37.370 38.460 -0.062 0.000 0.984 349 Y HN 0.297 nan 8.280 nan 0.000 0.550 350 T N -2.453 111.623 114.554 -0.797 0.000 3.118 350 T HA 0.498 4.848 4.350 0.000 0.000 0.260 350 T C 0.902 175.463 174.700 -0.231 0.000 1.139 350 T CA 0.376 62.093 62.100 -0.638 0.000 1.085 350 T CB -0.521 68.018 68.868 -0.548 0.000 0.934 350 T HN 0.895 nan 8.240 nan 0.000 0.518 351 G N 0.334 109.057 108.800 -0.129 0.000 2.347 351 G HA2 0.330 4.290 3.960 0.000 0.000 0.321 351 G HA3 0.330 4.290 3.960 0.000 0.000 0.321 351 G C -1.714 173.185 174.900 -0.003 0.000 1.412 351 G CA -1.115 43.963 45.100 -0.036 0.000 0.990 351 G HN 0.338 nan 8.290 nan 0.000 0.637 352 I N 1.830 122.408 120.570 0.014 0.000 2.359 352 I HA 0.520 4.690 4.170 0.000 0.000 0.284 352 I C 0.564 176.705 176.117 0.039 0.000 1.018 352 I CA -0.682 60.627 61.300 0.016 0.000 1.173 352 I CB 0.863 38.859 38.000 -0.007 0.000 1.326 352 I HN 0.662 nan 8.210 nan 0.000 0.462 353 I N 2.555 123.164 120.570 0.066 0.000 3.239 353 I HA 0.704 4.874 4.170 0.000 0.000 0.314 353 I C -1.074 175.118 176.117 0.125 0.000 1.126 353 I CA -1.190 60.175 61.300 0.108 0.000 0.973 353 I CB 2.285 40.392 38.000 0.179 0.000 1.252 353 I HN 0.218 nan 8.210 nan 0.000 0.463 354 K N 2.080 122.581 120.400 0.167 0.000 2.323 354 K HA 0.897 5.217 4.320 0.000 0.000 0.259 354 K C -1.280 175.461 176.600 0.234 0.000 0.947 354 K CA -0.124 56.269 56.287 0.177 0.000 0.819 354 K CB 1.656 34.263 32.500 0.178 0.000 1.109 354 K HN 1.030 nan 8.250 nan 0.000 0.429 355 A N 2.917 125.840 122.820 0.173 0.000 2.566 355 A HA 0.453 4.773 4.320 0.000 0.000 0.290 355 A C -1.700 175.929 177.584 0.076 0.000 1.071 355 A CA -0.921 51.196 52.037 0.134 0.000 0.658 355 A CB 0.773 19.788 19.000 0.025 0.000 1.285 355 A HN 0.651 nan 8.150 nan 0.000 0.427 356 D N 0.247 120.671 120.400 0.041 0.000 2.253 356 D HA 0.600 5.240 4.640 0.000 0.000 0.249 356 D C -0.584 175.717 176.300 0.002 0.000 1.049 356 D CA 0.357 54.376 54.000 0.032 0.000 0.929 356 D CB 1.422 42.238 40.800 0.026 0.000 1.176 356 D HN 0.422 nan 8.370 nan 0.000 0.437 357 I N 0.688 121.267 120.570 0.015 0.000 2.436 357 I HA 0.337 4.507 4.170 0.000 0.000 0.289 357 I C 0.601 176.723 176.117 0.009 0.000 1.010 357 I CA -0.743 60.561 61.300 0.008 0.000 1.098 357 I CB 2.107 40.124 38.000 0.029 0.000 1.266 357 I HN 0.195 nan 8.210 nan 0.000 0.434 358 G N 7.045 115.845 108.800 0.001 0.000 2.348 358 G HA2 0.745 4.705 3.960 0.000 0.000 0.312 358 G HA3 0.745 4.705 3.960 0.000 0.000 0.312 358 G C -0.725 174.182 174.900 0.012 0.000 1.126 358 G CA -0.384 44.719 45.100 0.005 0.000 0.865 358 G HN 0.480 nan 8.290 nan 0.000 0.474 359 I N 1.261 121.840 120.570 0.014 0.000 2.465 359 I HA 0.476 4.646 4.170 0.000 0.000 0.291 359 I C -0.412 175.717 176.117 0.020 0.000 1.014 359 I CA -0.970 60.343 61.300 0.022 0.000 1.093 359 I CB 2.526 40.541 38.000 0.025 0.000 1.267 359 I HN 0.304 nan 8.210 nan 0.000 0.431 360 K N 4.939 125.355 120.400 0.026 0.000 2.553 360 K HA 0.305 4.625 4.320 0.000 0.000 0.250 360 K C -0.838 175.781 176.600 0.031 0.000 0.953 360 K CA -0.320 55.983 56.287 0.026 0.000 0.800 360 K CB 0.965 33.480 32.500 0.025 0.000 1.243 360 K HN 0.526 nan 8.250 nan 0.000 0.435 361 D N 3.688 124.105 120.400 0.029 0.000 2.751 361 D HA -0.195 4.445 4.640 0.000 0.000 0.233 361 D C 0.581 176.904 176.300 0.037 0.000 1.149 361 D CA 1.984 56.003 54.000 0.031 0.000 0.682 361 D CB -1.070 39.750 40.800 0.033 0.000 1.068 361 D HN 1.091 nan 8.370 nan 0.000 0.429 362 G N -1.307 107.516 108.800 0.037 0.000 2.184 362 G HA2 -0.328 3.632 3.960 0.000 0.000 0.264 362 G HA3 -0.328 3.632 3.960 0.000 0.000 0.264 362 G C 0.359 175.293 174.900 0.056 0.000 0.975 362 G CA 0.774 45.901 45.100 0.045 0.000 0.642 362 G HN 0.504 nan 8.290 nan 0.000 0.536 363 L N -0.030 121.225 121.223 0.054 0.000 2.322 363 L HA 0.633 4.973 4.340 0.000 0.000 0.269 363 L C 0.839 177.739 176.870 0.050 0.000 1.012 363 L CA -1.437 53.440 54.840 0.062 0.000 0.815 363 L CB 1.641 43.737 42.059 0.062 0.000 1.295 363 L HN -0.047 nan 8.230 nan 0.000 0.438 364 I N 1.620 122.221 120.570 0.053 0.000 2.406 364 I HA 0.055 4.225 4.170 0.000 0.000 0.293 364 I C 1.050 177.182 176.117 0.025 0.000 1.101 364 I CA 0.133 61.456 61.300 0.040 0.000 1.334 364 I CB 1.265 39.291 38.000 0.044 0.000 1.421 364 I HN 0.785 nan 8.210 nan 0.000 0.513 365 A N 5.024 127.855 122.820 0.018 0.000 2.021 365 A HA 0.110 4.430 4.320 0.000 0.000 0.216 365 A C 0.849 178.430 177.584 -0.005 0.000 1.163 365 A CA 0.924 52.967 52.037 0.010 0.000 0.676 365 A CB 0.011 19.019 19.000 0.014 0.000 0.818 365 A HN 0.709 nan 8.150 nan 0.000 0.453 366 S N -2.013 113.680 115.700 -0.011 0.000 2.578 366 S HA 0.661 5.131 4.470 0.000 0.000 0.272 366 S C -1.210 173.358 174.600 -0.053 0.000 1.145 366 S CA -0.681 57.500 58.200 -0.033 0.000 0.835 366 S CB 0.685 63.875 63.200 -0.016 0.000 1.104 366 S HN 0.310 nan 8.310 nan 0.000 0.458 367 I N 1.446 121.951 120.570 -0.108 0.000 2.500 367 I HA 0.742 4.912 4.170 0.000 0.000 0.286 367 I C 0.543 176.447 176.117 -0.354 0.000 1.063 367 I CA -0.178 61.013 61.300 -0.182 0.000 1.062 367 I CB 1.400 39.291 38.000 -0.182 0.000 1.223 367 I HN 1.238 nan 8.210 nan 0.000 0.435 368 G N 5.398 114.002 108.800 -0.327 0.000 2.564 368 G HA2 0.078 4.038 3.960 0.000 0.000 0.139 368 G HA3 0.078 4.038 3.960 0.000 0.000 0.139 368 G C -1.653 173.224 174.900 -0.039 0.000 1.147 368 G CA -0.591 44.277 45.100 -0.386 0.000 1.031 368 G HN 0.348 nan 8.290 nan 0.000 0.482 369 K N 1.440 121.883 120.400 0.073 0.000 2.281 369 K HA 0.726 5.046 4.320 0.000 0.000 0.272 369 K C 0.119 176.734 176.600 0.026 0.000 1.048 369 K CA 0.135 56.462 56.287 0.066 0.000 0.898 369 K CB 0.786 33.326 32.500 0.066 0.000 1.128 369 K HN 0.867 nan 8.250 nan 0.000 0.460 370 A N 2.560 125.389 122.820 0.014 0.000 2.248 370 A HA 0.879 5.199 4.320 0.000 0.000 0.316 370 A C 0.448 178.022 177.584 -0.016 0.000 1.101 370 A CA 0.347 52.383 52.037 -0.002 0.000 0.875 370 A CB 0.849 19.849 19.000 -0.000 0.000 1.207 370 A HN 0.884 nan 8.150 nan 0.000 0.504 371 G N -0.251 108.531 108.800 -0.030 0.000 2.292 371 G HA2 0.214 4.174 3.960 0.000 0.000 0.194 371 G HA3 0.214 4.174 3.960 0.000 0.000 0.194 371 G C -1.311 173.561 174.900 -0.046 0.000 1.329 371 G CA -0.034 45.046 45.100 -0.034 0.000 1.100 371 G HN 1.226 nan 8.290 nan 0.000 0.470 372 N N 1.770 120.453 118.700 -0.028 0.000 2.524 372 N HA 0.524 5.264 4.740 0.000 0.000 0.261 372 N C -1.363 174.139 175.510 -0.012 0.000 0.998 372 N CA -2.041 50.997 53.050 -0.019 0.000 0.915 372 N CB 2.620 41.120 38.487 0.021 0.000 1.187 372 N HN 0.161 nan 8.380 nan 0.000 0.507 373 P HA -0.039 nan 4.420 nan 0.000 0.228 373 P C 0.051 177.349 177.300 -0.003 0.000 1.151 373 P CA 0.742 63.826 63.100 -0.027 0.000 0.770 373 P CB 0.610 32.291 31.700 -0.031 0.000 0.786 374 D N 0.008 120.420 120.400 0.021 0.000 2.269 374 D HA -0.025 4.616 4.640 0.000 0.000 0.208 374 D C 1.775 178.101 176.300 0.043 0.000 0.963 374 D CA 0.906 54.927 54.000 0.035 0.000 0.864 374 D CB 0.069 40.901 40.800 0.053 0.000 0.936 374 D HN 0.415 nan 8.370 nan 0.000 0.505 375 I N -4.837 115.760 120.570 0.044 0.000 4.557 375 I HA 0.268 4.438 4.170 0.000 0.000 0.333 375 I C -0.076 176.054 176.117 0.023 0.000 1.332 375 I CA -0.220 61.106 61.300 0.043 0.000 1.240 375 I CB 0.392 38.429 38.000 0.062 0.000 1.312 375 I HN -0.298 nan 8.210 nan 0.000 0.457 376 M N 1.507 121.114 119.600 0.012 0.000 2.535 376 M HA 0.480 4.960 4.480 0.000 0.000 0.314 376 M C -0.905 175.372 176.300 -0.038 0.000 1.153 376 M CA -0.607 54.692 55.300 -0.001 0.000 0.924 376 M CB 1.758 34.360 32.600 0.004 0.000 1.710 376 M HN -0.033 nan 8.290 nan 0.000 0.451 377 N N 0.305 118.975 118.700 -0.049 0.000 2.495 377 N HA 0.472 5.212 4.740 0.000 0.000 0.280 377 N C 0.805 176.239 175.510 -0.127 0.000 1.168 377 N CA 0.665 53.666 53.050 -0.083 0.000 0.978 377 N CB 1.354 39.800 38.487 -0.068 0.000 1.191 377 N HN 0.958 nan 8.380 nan 0.000 0.497 378 G N -0.829 107.846 108.800 -0.208 0.000 2.166 378 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 378 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 378 G C -0.343 174.328 174.900 -0.382 0.000 0.986 378 G CA 0.244 45.155 45.100 -0.314 0.000 0.683 378 G HN 0.414 nan 8.290 nan 0.000 0.527 379 V N 1.679 121.409 119.914 -0.306 0.000 2.334 379 V HA 0.555 4.675 4.120 0.000 0.000 0.267 379 V C 0.567 176.524 176.094 -0.228 0.000 1.040 379 V CA -0.844 61.333 62.300 -0.204 0.000 0.866 379 V CB 0.275 32.038 31.823 -0.100 0.000 1.019 379 V HN 0.217 nan 8.190 nan 0.000 0.468 380 F N 2.693 122.640 119.950 -0.006 0.000 2.444 380 F HA 0.145 4.672 4.527 0.000 0.000 0.331 380 F C 2.024 177.814 175.800 -0.017 0.000 1.167 380 F CA 0.444 58.441 58.000 -0.006 0.000 1.262 380 F CB 0.990 39.988 39.000 -0.004 0.000 1.196 380 F HN 0.587 nan 8.300 nan 0.000 0.583 381 S N 0.356 116.191 115.700 0.226 0.000 2.465 381 S HA -0.233 4.237 4.470 0.000 0.000 0.241 381 S C 1.092 175.737 174.600 0.075 0.000 1.000 381 S CA 1.342 59.609 58.200 0.111 0.000 0.964 381 S CB -0.766 62.496 63.200 0.103 0.000 0.763 381 S HN 0.754 nan 8.310 nan 0.000 0.512 382 N N 0.621 119.377 118.700 0.093 0.000 2.268 382 N HA 0.159 4.899 4.740 0.000 0.000 0.204 382 N C 0.448 175.981 175.510 0.037 0.000 1.124 382 N CA -0.079 53.000 53.050 0.048 0.000 0.838 382 N CB -0.179 38.324 38.487 0.026 0.000 0.994 382 N HN 0.501 nan 8.380 nan 0.000 0.489 383 M N 0.578 120.204 119.600 0.044 0.000 2.875 383 M HA 0.360 4.840 4.480 0.000 0.000 0.403 383 M C -0.626 175.658 176.300 -0.026 0.000 1.304 383 M CA -0.250 55.061 55.300 0.017 0.000 0.854 383 M CB 0.863 33.491 32.600 0.045 0.000 1.415 383 M HN -0.079 nan 8.290 nan 0.000 0.505 384 I N 1.753 122.281 120.570 -0.070 0.000 2.371 384 I HA 0.283 4.454 4.170 0.000 0.000 0.290 384 I C -0.039 175.974 176.117 -0.172 0.000 1.028 384 I CA -0.408 60.789 61.300 -0.171 0.000 1.345 384 I CB 1.057 38.857 38.000 -0.334 0.000 1.407 384 I HN 0.218 nan 8.210 nan 0.000 0.501 385 I N 6.067 126.556 120.570 -0.134 0.000 2.312 385 I HA 0.344 4.514 4.170 0.000 0.000 0.291 385 I C 0.835 176.917 176.117 -0.059 0.000 1.031 385 I CA 0.078 61.336 61.300 -0.069 0.000 1.293 385 I CB 0.974 38.959 38.000 -0.025 0.000 1.403 385 I HN 0.664 nan 8.210 nan 0.000 0.484 386 G N 3.309 112.119 108.800 0.017 0.000 3.016 386 G HA2 0.547 4.507 3.960 0.000 0.000 0.270 386 G HA3 0.547 4.507 3.960 0.000 0.000 0.270 386 G C 0.710 175.686 174.900 0.127 0.000 1.352 386 G CA -0.032 45.172 45.100 0.173 0.000 1.060 386 G HN 0.616 nan 8.290 nan 0.000 0.538 387 A N -0.353 122.548 122.820 0.135 0.000 1.972 387 A HA -0.032 4.288 4.320 0.000 0.000 0.219 387 A C 1.613 179.229 177.584 0.054 0.000 1.169 387 A CA 1.465 53.550 52.037 0.079 0.000 0.635 387 A CB -0.306 18.730 19.000 0.059 0.000 0.810 387 A HN 0.406 nan 8.150 nan 0.000 0.446 388 N N 0.345 119.081 118.700 0.059 0.000 2.327 388 N HA 0.111 4.851 4.740 0.000 0.000 0.231 388 N C -0.828 174.696 175.510 0.023 0.000 1.130 388 N CA 0.279 53.349 53.050 0.034 0.000 0.845 388 N CB 0.283 38.791 38.487 0.035 0.000 1.073 388 N HN 0.252 nan 8.380 nan 0.000 0.496 389 T N 0.148 114.712 114.554 0.016 0.000 2.797 389 T HA 0.252 4.602 4.350 0.000 0.000 0.279 389 T C 0.110 174.780 174.700 -0.051 0.000 0.991 389 T CA -0.536 61.559 62.100 -0.009 0.000 0.979 389 T CB 2.240 71.105 68.868 -0.004 0.000 0.943 389 T HN 0.052 nan 8.240 nan 0.000 0.444 390 E N 2.097 122.258 120.200 -0.066 0.000 2.283 390 E HA 0.515 4.866 4.350 0.000 0.000 0.271 390 E C -1.195 175.318 176.600 -0.145 0.000 1.031 390 E CA -0.596 55.734 56.400 -0.115 0.000 0.868 390 E CB 0.894 30.543 29.700 -0.084 0.000 1.094 390 E HN 0.306 nan 8.360 nan 0.000 0.401 391 V N 4.997 124.763 119.914 -0.246 0.000 2.487 391 V HA 0.416 4.536 4.120 0.000 0.000 0.298 391 V C -0.246 175.748 176.094 -0.166 0.000 1.028 391 V CA -0.626 61.533 62.300 -0.235 0.000 0.860 391 V CB 1.410 32.983 31.823 -0.416 0.000 0.991 391 V HN 0.648 nan 8.190 nan 0.000 0.427 392 I N 4.007 124.537 120.570 -0.067 0.000 2.355 392 I HA 0.552 4.722 4.170 0.000 0.000 0.288 392 I C 0.566 176.697 176.117 0.023 0.000 0.999 392 I CA -0.599 60.691 61.300 -0.016 0.000 1.163 392 I CB 1.782 39.785 38.000 0.004 0.000 1.316 392 I HN 0.690 nan 8.210 nan 0.000 0.454 393 A N 4.606 127.457 122.820 0.052 0.000 2.395 393 A HA 0.460 4.780 4.320 0.000 0.000 0.286 393 A C 1.128 178.762 177.584 0.084 0.000 1.193 393 A CA -0.045 52.045 52.037 0.088 0.000 0.852 393 A CB 0.041 19.113 19.000 0.119 0.000 1.118 393 A HN 0.978 nan 8.150 nan 0.000 0.524 394 G N 1.893 110.747 108.800 0.090 0.000 2.887 394 G HA2 0.107 4.067 3.960 0.000 0.000 0.211 394 G HA3 0.107 4.067 3.960 0.000 0.000 0.211 394 G C 0.406 175.371 174.900 0.108 0.000 1.152 394 G CA -0.066 45.093 45.100 0.099 0.000 0.769 394 G HN 0.841 nan 8.290 nan 0.000 0.541 395 E N 1.022 121.287 120.200 0.108 0.000 2.558 395 E HA 0.205 4.555 4.350 0.000 0.000 0.255 395 E C 1.083 177.734 176.600 0.085 0.000 0.968 395 E CA 0.615 57.079 56.400 0.106 0.000 0.939 395 E CB 0.329 30.088 29.700 0.097 0.000 0.921 395 E HN 0.512 nan 8.360 nan 0.000 0.477 396 G N 2.684 111.538 108.800 0.090 0.000 2.199 396 G HA2 -0.270 3.690 3.960 0.000 0.000 0.254 396 G HA3 -0.270 3.690 3.960 0.000 0.000 0.254 396 G C 0.119 175.081 174.900 0.103 0.000 0.982 396 G CA 0.376 45.525 45.100 0.082 0.000 0.632 396 G HN 0.468 nan 8.290 nan 0.000 0.529 397 L N 0.109 121.404 121.223 0.120 0.000 2.313 397 L HA 0.756 5.096 4.340 0.000 0.000 0.268 397 L C 0.471 177.443 176.870 0.170 0.000 1.010 397 L CA -1.356 53.577 54.840 0.155 0.000 0.814 397 L CB 1.775 43.926 42.059 0.154 0.000 1.304 397 L HN -0.009 nan 8.230 nan 0.000 0.441 398 I N 1.114 121.828 120.570 0.239 0.000 2.412 398 I HA 0.397 4.567 4.170 0.000 0.000 0.296 398 I C -0.686 175.657 176.117 0.377 0.000 0.987 398 I CA -0.734 60.713 61.300 0.245 0.000 1.180 398 I CB 2.139 40.252 38.000 0.188 0.000 1.340 398 I HN 0.159 nan 8.210 nan 0.000 0.455 399 V N 4.603 124.696 119.914 0.297 0.000 2.555 399 V HA 0.605 4.725 4.120 0.000 0.000 0.302 399 V C 0.103 176.403 176.094 0.343 0.000 1.038 399 V CA -0.364 62.128 62.300 0.320 0.000 0.887 399 V CB 1.923 33.867 31.823 0.202 0.000 0.991 399 V HN 0.908 nan 8.190 nan 0.000 0.434 400 T N 1.455 116.271 114.554 0.437 0.000 2.865 400 T HA 0.853 5.203 4.350 0.000 0.000 0.294 400 T C -0.147 174.766 174.700 0.355 0.000 1.119 400 T CA -0.332 62.016 62.100 0.412 0.000 1.007 400 T CB 1.901 71.105 68.868 0.561 0.000 1.225 400 T HN 1.038 nan 8.240 nan 0.000 0.515 401 A N 0.484 123.490 122.820 0.310 0.000 2.406 401 A HA 0.662 4.983 4.320 0.000 0.000 0.243 401 A C 1.015 178.782 177.584 0.306 0.000 1.082 401 A CA -0.085 52.110 52.037 0.264 0.000 0.786 401 A CB -0.695 18.445 19.000 0.235 0.000 1.029 401 A HN 1.420 nan 8.150 nan 0.000 0.495 402 G N -0.238 108.704 108.800 0.236 0.000 2.441 402 G HA2 0.546 4.506 3.960 0.000 0.000 0.243 402 G HA3 0.546 4.506 3.960 0.000 0.000 0.243 402 G C 0.434 175.487 174.900 0.255 0.000 1.281 402 G CA 0.267 45.494 45.100 0.212 0.000 0.854 402 G HN 1.411 nan 8.290 nan 0.000 0.560 403 A N 1.244 124.218 122.820 0.255 0.000 2.386 403 A HA 0.586 4.906 4.320 0.000 0.000 0.248 403 A C 0.158 177.854 177.584 0.185 0.000 1.082 403 A CA -0.151 52.059 52.037 0.289 0.000 0.789 403 A CB 0.283 19.345 19.000 0.104 0.000 1.025 403 A HN 0.660 nan 8.150 nan 0.000 0.490 404 I N 1.629 122.326 120.570 0.212 0.000 2.448 404 I HA 0.188 4.358 4.170 0.000 0.000 0.281 404 I C -0.967 175.228 176.117 0.131 0.000 1.027 404 I CA -0.488 60.911 61.300 0.166 0.000 1.111 404 I CB 1.691 39.825 38.000 0.225 0.000 1.236 404 I HN 0.577 nan 8.210 nan 0.000 0.452 405 D N 6.141 126.583 120.400 0.069 0.000 2.347 405 D HA 0.200 4.840 4.640 0.000 0.000 0.235 405 D C 0.555 176.896 176.300 0.068 0.000 1.149 405 D CA -0.506 53.520 54.000 0.043 0.000 0.850 405 D CB 1.234 42.022 40.800 -0.020 0.000 1.061 405 D HN 0.676 nan 8.370 nan 0.000 0.487 406 C N 2.713 122.083 119.300 0.116 0.000 2.668 406 C HA 0.421 4.881 4.460 0.000 0.000 0.301 406 C C 0.741 175.832 174.990 0.168 0.000 1.351 406 C CA -0.831 58.288 59.018 0.168 0.000 1.757 406 C CB -1.810 26.065 27.740 0.226 0.000 2.179 406 C HN 0.698 nan 8.230 nan 0.000 0.586 407 H N 0.375 119.384 119.070 -0.103 0.000 2.511 407 H HA 0.550 5.106 4.556 0.000 0.000 0.228 407 H C -1.239 173.939 175.328 -0.250 0.000 1.424 407 H CA -0.249 55.584 56.048 -0.359 0.000 1.321 407 H CB 0.387 29.733 29.762 -0.693 0.000 1.720 407 H HN 0.250 nan 8.280 nan 0.000 0.512 408 V N 2.847 122.707 119.914 -0.089 0.000 2.427 408 V HA 0.160 4.280 4.120 0.000 0.000 0.286 408 V C 0.128 175.985 176.094 -0.396 0.000 1.034 408 V CA -0.631 61.524 62.300 -0.241 0.000 0.893 408 V CB 1.269 32.833 31.823 -0.431 0.000 0.982 408 V HN 0.668 nan 8.190 nan 0.000 0.452 409 H N 4.657 123.593 119.070 -0.222 0.000 2.597 409 H HA 0.254 4.810 4.556 0.000 0.000 0.303 409 H C -0.920 174.322 175.328 -0.143 0.000 1.057 409 H CA -0.308 55.667 56.048 -0.120 0.000 1.261 409 H CB 0.930 30.688 29.762 -0.006 0.000 1.397 409 H HN 0.597 nan 8.280 nan 0.000 0.461 410 Y N 3.685 124.106 120.300 0.201 0.000 2.889 410 Y HA 0.013 4.563 4.550 0.000 0.000 0.367 410 Y C 1.566 177.551 175.900 0.142 0.000 1.197 410 Y CA -0.118 58.089 58.100 0.178 0.000 1.993 410 Y CB -0.863 37.741 38.460 0.239 0.000 2.112 410 Y HN 0.586 nan 8.280 nan 0.000 0.413 411 I N -0.022 120.673 120.570 0.208 0.000 2.353 411 I HA -0.151 4.019 4.170 0.000 0.000 0.248 411 I C 0.812 176.992 176.117 0.105 0.000 1.119 411 I CA 0.727 62.110 61.300 0.138 0.000 1.417 411 I CB 0.066 38.115 38.000 0.081 0.000 1.078 411 I HN 0.530 nan 8.210 nan 0.000 0.421 412 C N -2.529 116.830 119.300 0.098 0.000 3.285 412 C HA 0.386 4.846 4.460 0.000 0.000 0.325 412 C C -1.982 173.026 174.990 0.031 0.000 1.304 412 C CA -1.330 57.723 59.018 0.059 0.000 1.319 412 C CB 1.229 28.991 27.740 0.038 0.000 1.640 412 C HN -0.052 nan 8.230 nan 0.000 0.477 413 P HA -0.054 nan 4.420 nan 0.000 0.225 413 P C 1.091 178.121 177.300 -0.449 0.000 1.156 413 P CA 1.556 64.557 63.100 -0.165 0.000 0.787 413 P CB 0.241 31.878 31.700 -0.106 0.000 0.802 414 Q N 0.615 120.296 119.800 -0.199 0.000 2.181 414 Q HA -0.124 4.216 4.340 0.000 0.000 0.205 414 Q C 2.151 178.088 176.000 -0.105 0.000 0.980 414 Q CA 1.320 57.071 55.803 -0.087 0.000 0.862 414 Q CB -1.387 27.417 28.738 0.109 0.000 0.905 414 Q HN 0.354 nan 8.270 nan 0.000 0.429 415 L N -3.208 117.962 121.223 -0.089 0.000 2.376 415 L HA 0.007 4.347 4.340 0.000 0.000 0.219 415 L C 1.759 178.571 176.870 -0.097 0.000 1.133 415 L CA 0.882 55.688 54.840 -0.057 0.000 0.816 415 L CB -0.766 41.278 42.059 -0.026 0.000 0.933 415 L HN -0.087 nan 8.230 nan 0.000 0.449 416 V N -0.511 119.294 119.914 -0.181 0.000 2.358 416 V HA -0.256 3.864 4.120 0.000 0.000 0.246 416 V C 2.517 178.521 176.094 -0.151 0.000 1.047 416 V CA 1.682 63.898 62.300 -0.140 0.000 1.035 416 V CB -0.881 30.884 31.823 -0.097 0.000 0.658 416 V HN 0.400 nan 8.190 nan 0.000 0.452 417 Y N 0.587 120.857 120.300 -0.050 0.000 2.181 417 Y HA -0.165 4.385 4.550 0.000 0.000 0.288 417 Y C 2.536 178.206 175.900 -0.383 0.000 1.146 417 Y CA 1.296 59.264 58.100 -0.220 0.000 1.164 417 Y CB -0.904 37.585 38.460 0.048 0.000 0.982 417 Y HN 0.279 nan 8.280 nan 0.000 0.515 418 E N 0.287 120.464 120.200 -0.038 0.000 2.077 418 E HA -0.143 4.207 4.350 0.000 0.000 0.193 418 E C 2.346 178.864 176.600 -0.136 0.000 0.989 418 E CA 1.259 57.619 56.400 -0.067 0.000 0.800 418 E CB -0.377 29.315 29.700 -0.014 0.000 0.746 418 E HN 0.325 nan 8.360 nan 0.000 0.452 419 A N 0.730 123.464 122.820 -0.143 0.000 1.858 419 A HA -0.175 4.145 4.320 0.000 0.000 0.216 419 A C 2.398 179.858 177.584 -0.208 0.000 1.190 419 A CA 1.599 53.547 52.037 -0.147 0.000 0.617 419 A CB -0.855 18.068 19.000 -0.128 0.000 0.827 419 A HN 0.438 nan 8.150 nan 0.000 0.443 420 I N 0.545 120.926 120.570 -0.315 0.000 2.394 420 I HA -0.201 3.969 4.170 0.000 0.000 0.251 420 I C 2.491 178.326 176.117 -0.470 0.000 1.136 420 I CA 1.708 62.772 61.300 -0.395 0.000 1.425 420 I CB -0.041 37.656 38.000 -0.506 0.000 1.079 420 I HN 0.464 nan 8.210 nan 0.000 0.425 421 S N -0.395 114.952 115.700 -0.589 0.000 2.474 421 S HA -0.119 4.351 4.470 0.000 0.000 0.235 421 S C 1.866 176.364 174.600 -0.171 0.000 0.997 421 S CA 0.957 58.931 58.200 -0.377 0.000 0.949 421 S CB -0.586 62.426 63.200 -0.313 0.000 0.766 421 S HN 0.631 nan 8.310 nan 0.000 0.517 422 S N -0.231 115.378 115.700 -0.152 0.000 2.517 422 S HA 0.530 5.000 4.470 0.000 0.000 0.214 422 S C 1.404 175.962 174.600 -0.070 0.000 0.991 422 S CA 0.389 58.553 58.200 -0.061 0.000 0.906 422 S CB 0.053 63.244 63.200 -0.014 0.000 0.789 422 S HN 1.401 nan 8.310 nan 0.000 0.513 423 G N 0.808 109.531 108.800 -0.130 0.000 2.164 423 G HA2 -0.090 3.871 3.960 0.000 0.000 0.154 423 G HA3 -0.090 3.871 3.960 0.000 0.000 0.154 423 G C -0.191 174.705 174.900 -0.007 0.000 1.014 423 G CA -0.286 44.764 45.100 -0.083 0.000 0.683 423 G HN 0.496 nan 8.290 nan 0.000 0.500 424 I N 2.162 122.696 120.570 -0.059 0.000 2.331 424 I HA 0.413 4.583 4.170 0.000 0.000 0.292 424 I C 1.521 177.600 176.117 -0.064 0.000 0.998 424 I CA 0.289 61.563 61.300 -0.043 0.000 1.267 424 I CB 1.716 39.669 38.000 -0.078 0.000 1.386 424 I HN 0.198 nan 8.210 nan 0.000 0.476 425 T N -0.733 113.808 114.554 -0.020 0.000 3.003 425 T HA 0.187 4.537 4.350 0.000 0.000 0.261 425 T C 0.512 175.165 174.700 -0.078 0.000 1.003 425 T CA -0.060 62.019 62.100 -0.036 0.000 0.917 425 T CB 0.229 69.112 68.868 0.024 0.000 1.084 425 T HN 0.480 nan 8.240 nan 0.000 0.522 426 T N 2.254 116.767 114.554 -0.068 0.000 2.881 426 T HA 0.675 5.025 4.350 0.000 0.000 0.290 426 T C -1.190 173.432 174.700 -0.130 0.000 1.000 426 T CA -0.611 61.428 62.100 -0.100 0.000 0.978 426 T CB 1.763 70.656 68.868 0.042 0.000 0.997 426 T HN 0.195 nan 8.240 nan 0.000 0.443 427 L N 2.969 124.028 121.223 -0.274 0.000 2.362 427 L HA 0.821 5.161 4.340 0.000 0.000 0.275 427 L C -0.914 175.930 176.870 -0.043 0.000 0.998 427 L CA -1.115 53.607 54.840 -0.196 0.000 0.820 427 L CB 2.048 43.913 42.059 -0.323 0.000 1.270 427 L HN 0.328 nan 8.230 nan 0.000 0.415 428 V N 2.086 122.023 119.914 0.039 0.000 2.577 428 V HA 0.952 5.072 4.120 0.000 0.000 0.303 428 V C 0.202 176.319 176.094 0.038 0.000 1.042 428 V CA -0.125 62.245 62.300 0.117 0.000 0.872 428 V CB 1.481 33.441 31.823 0.228 0.000 0.998 428 V HN 1.022 nan 8.190 nan 0.000 0.423 429 G N 3.012 111.845 108.800 0.056 0.000 2.441 429 G HA2 0.682 4.642 3.960 0.000 0.000 0.225 429 G HA3 0.682 4.642 3.960 0.000 0.000 0.225 429 G C -0.497 174.506 174.900 0.173 0.000 1.200 429 G CA 0.270 45.347 45.100 -0.039 0.000 0.947 429 G HN 1.198 nan 8.290 nan 0.000 0.484 430 G N -2.033 106.830 108.800 0.104 0.000 2.684 430 G HA2 0.965 4.925 3.960 0.000 0.000 0.290 430 G HA3 0.965 4.925 3.960 0.000 0.000 0.290 430 G C -0.255 174.902 174.900 0.428 0.000 1.425 430 G CA 0.448 45.788 45.100 0.399 0.000 0.822 430 G HN 2.292 nan 8.290 nan 0.000 0.482 431 G N -1.907 107.177 108.800 0.473 0.000 2.353 431 G HA2 0.526 4.486 3.960 0.000 0.000 0.308 431 G HA3 0.526 4.486 3.960 0.000 0.000 0.308 431 G C 0.049 175.115 174.900 0.276 0.000 1.418 431 G CA 0.864 46.187 45.100 0.371 0.000 0.966 431 G HN 1.846 nan 8.290 nan 0.000 0.638 432 T N -2.935 111.729 114.554 0.183 0.000 3.253 432 T HA 0.660 5.010 4.350 0.000 0.000 0.299 432 T C 1.207 175.952 174.700 0.074 0.000 0.927 432 T CA 1.254 63.402 62.100 0.080 0.000 0.926 432 T CB 0.352 69.245 68.868 0.041 0.000 1.183 432 T HN 2.762 nan 8.240 nan 0.000 0.557 433 G N 2.541 111.415 108.800 0.123 0.000 2.316 433 G HA2 0.138 4.098 3.960 0.000 0.000 0.349 433 G HA3 0.138 4.098 3.960 0.000 0.000 0.349 433 G C -2.689 172.267 174.900 0.094 0.000 1.274 433 G CA -0.262 44.895 45.100 0.094 0.000 1.018 433 G HN -0.014 nan 8.290 nan 0.000 0.486 434 P HA 0.358 nan 4.420 nan 0.000 0.263 434 P C 0.846 178.171 177.300 0.043 0.000 1.386 434 P CA 1.103 64.234 63.100 0.051 0.000 0.797 434 P CB -0.329 31.391 31.700 0.034 0.000 1.381 435 A N 0.550 123.404 122.820 0.057 0.000 2.425 435 A HA 0.396 4.717 4.320 0.000 0.000 0.242 435 A C 1.875 179.486 177.584 0.044 0.000 1.077 435 A CA 0.305 52.373 52.037 0.051 0.000 0.781 435 A CB 0.089 19.131 19.000 0.070 0.000 1.020 435 A HN 0.205 nan 8.150 nan 0.000 0.494 436 A N 2.136 124.966 122.820 0.017 0.000 1.948 436 A HA -0.010 4.310 4.320 0.000 0.000 0.220 436 A C 2.268 179.830 177.584 -0.035 0.000 1.177 436 A CA 2.498 54.519 52.037 -0.027 0.000 0.636 436 A CB -1.340 17.627 19.000 -0.056 0.000 0.815 436 A HN 1.478 nan 8.150 nan 0.000 0.449 437 G N -1.322 107.505 108.800 0.045 0.000 2.446 437 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 437 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 437 G C 1.574 176.577 174.900 0.172 0.000 1.168 437 G CA 1.671 46.855 45.100 0.141 0.000 0.771 437 G HN 0.445 nan 8.290 nan 0.000 0.551 438 T N 0.331 114.994 114.554 0.180 0.000 2.904 438 T HA -0.009 4.341 4.350 0.000 0.000 0.267 438 T C 2.439 177.269 174.700 0.217 0.000 1.059 438 T CA 0.724 62.958 62.100 0.223 0.000 1.137 438 T CB -0.086 68.904 68.868 0.204 0.000 0.879 438 T HN 0.234 nan 8.240 nan 0.000 0.467 439 R N 0.720 121.268 120.500 0.080 0.000 2.241 439 R HA 0.105 4.445 4.340 0.000 0.000 0.224 439 R C 2.318 178.560 176.300 -0.096 0.000 1.101 439 R CA 1.057 57.148 56.100 -0.015 0.000 0.995 439 R CB -0.110 30.165 30.300 -0.041 0.000 0.870 439 R HN 0.332 nan 8.270 nan 0.000 0.463 440 A N 0.068 122.849 122.820 -0.066 0.000 2.013 440 A HA 0.061 4.381 4.320 0.000 0.000 0.204 440 A C 0.965 178.514 177.584 -0.058 0.000 1.262 440 A CA 0.755 52.698 52.037 -0.156 0.000 0.800 440 A CB 0.468 19.273 19.000 -0.325 0.000 0.909 440 A HN 0.296 nan 8.150 nan 0.000 0.472 441 T N -2.384 112.225 114.554 0.092 0.000 2.906 441 T HA 0.464 4.814 4.350 0.000 0.000 0.295 441 T C -0.164 174.660 174.700 0.207 0.000 1.075 441 T CA 0.225 62.440 62.100 0.190 0.000 1.005 441 T CB 1.284 70.183 68.868 0.051 0.000 1.136 441 T HN 0.323 nan 8.240 nan 0.000 0.498 442 T N 0.133 114.687 114.554 -0.001 0.000 4.098 442 T HA 0.470 4.820 4.350 0.000 0.000 0.291 442 T C 0.007 174.761 174.700 0.091 0.000 1.440 442 T CA -0.677 61.330 62.100 -0.155 0.000 1.164 442 T CB -1.932 66.822 68.868 -0.190 0.000 1.313 442 T HN 0.713 nan 8.240 nan 0.000 0.951 443 C N 1.664 121.067 119.300 0.170 0.000 2.482 443 C HA 0.625 5.085 4.460 0.000 0.000 0.317 443 C C 0.526 175.609 174.990 0.155 0.000 1.197 443 C CA -0.825 58.286 59.018 0.154 0.000 1.432 443 C CB 1.538 29.352 27.740 0.123 0.000 2.062 443 C HN 0.673 nan 8.230 nan 0.000 0.471 444 T N 4.536 119.166 114.554 0.126 0.000 3.149 444 T HA 0.218 4.568 4.350 0.000 0.000 0.373 444 T C -1.805 172.891 174.700 -0.007 0.000 1.364 444 T CA -0.489 61.661 62.100 0.083 0.000 1.110 444 T CB 0.873 69.805 68.868 0.105 0.000 1.127 444 T HN 0.498 nan 8.240 nan 0.000 0.576 445 P HA -0.116 nan 4.420 nan 0.000 0.212 445 P C 0.744 177.979 177.300 -0.108 0.000 1.178 445 P CA 0.894 63.913 63.100 -0.135 0.000 0.915 445 P CB 0.159 31.752 31.700 -0.178 0.000 0.788 446 S N -2.480 113.168 115.700 -0.088 0.000 2.617 446 S HA 0.353 4.824 4.470 0.000 0.000 0.283 446 S C -1.969 172.585 174.600 -0.075 0.000 1.189 446 S CA -1.516 56.637 58.200 -0.077 0.000 1.036 446 S CB 1.199 64.356 63.200 -0.071 0.000 1.014 446 S HN -0.160 nan 8.310 nan 0.000 0.522 447 P HA -0.101 nan 4.420 nan 0.000 0.218 447 P C 1.636 178.877 177.300 -0.098 0.000 1.148 447 P CA 1.825 64.899 63.100 -0.043 0.000 0.822 447 P CB -0.294 31.401 31.700 -0.007 0.000 0.784 448 T N -3.177 111.315 114.554 -0.104 0.000 2.821 448 T HA -0.158 4.192 4.350 0.000 0.000 0.267 448 T C 1.832 176.418 174.700 -0.190 0.000 1.046 448 T CA 1.036 63.047 62.100 -0.147 0.000 1.139 448 T CB -1.008 67.796 68.868 -0.107 0.000 0.871 448 T HN 0.189 nan 8.240 nan 0.000 0.454 449 Q N -0.027 119.679 119.800 -0.157 0.000 2.230 449 Q HA 0.135 4.475 4.340 0.000 0.000 0.202 449 Q C 2.230 178.072 176.000 -0.264 0.000 0.963 449 Q CA 1.139 56.836 55.803 -0.178 0.000 0.866 449 Q CB -0.340 28.328 28.738 -0.116 0.000 0.931 449 Q HN 0.424 nan 8.270 nan 0.000 0.452 450 M N 0.747 120.203 119.600 -0.239 0.000 2.099 450 M HA -0.155 4.325 4.480 0.000 0.000 0.262 450 M C 1.988 178.051 176.300 -0.396 0.000 1.067 450 M CA 1.704 56.834 55.300 -0.284 0.000 1.124 450 M CB -0.119 32.413 32.600 -0.113 0.000 1.353 450 M HN -0.012 nan 8.290 nan 0.000 0.410 451 R N -0.280 119.935 120.500 -0.475 0.000 2.073 451 R HA -0.113 4.227 4.340 0.000 0.000 0.234 451 R C 2.118 178.061 176.300 -0.596 0.000 1.134 451 R CA 1.802 57.365 56.100 -0.896 0.000 0.952 451 R CB -0.566 29.058 30.300 -1.126 0.000 0.850 451 R HN 0.486 nan 8.270 nan 0.000 0.433 452 L N 0.195 121.159 121.223 -0.431 0.000 2.046 452 L HA -0.195 4.145 4.340 0.000 0.000 0.208 452 L C 2.577 179.232 176.870 -0.359 0.000 1.077 452 L CA 1.028 55.671 54.840 -0.329 0.000 0.747 452 L CB -0.276 41.639 42.059 -0.241 0.000 0.896 452 L HN 0.315 nan 8.230 nan 0.000 0.432 453 M N -0.832 118.478 119.600 -0.484 0.000 2.175 453 M HA -0.149 4.331 4.480 0.000 0.000 0.264 453 M C 2.323 178.199 176.300 -0.707 0.000 1.063 453 M CA 1.634 56.539 55.300 -0.659 0.000 1.119 453 M CB -0.875 31.103 32.600 -1.038 0.000 1.377 453 M HN 0.242 nan 8.290 nan 0.000 0.415 454 L N -0.372 120.466 121.223 -0.642 0.000 2.093 454 L HA -0.229 4.111 4.340 0.000 0.000 0.208 454 L C 2.547 179.289 176.870 -0.213 0.000 1.085 454 L CA 1.183 55.824 54.840 -0.331 0.000 0.755 454 L CB -0.411 41.573 42.059 -0.124 0.000 0.904 454 L HN 0.385 nan 8.230 nan 0.000 0.435 455 Q N -1.325 118.336 119.800 -0.233 0.000 2.123 455 Q HA -0.172 4.168 4.340 0.000 0.000 0.199 455 Q C 2.430 178.334 176.000 -0.159 0.000 0.966 455 Q CA 1.525 57.232 55.803 -0.159 0.000 0.845 455 Q CB -0.127 28.512 28.738 -0.166 0.000 0.907 455 Q HN 0.368 nan 8.270 nan 0.000 0.439 456 S N 0.535 116.111 115.700 -0.207 0.000 2.368 456 S HA -0.142 4.328 4.470 0.000 0.000 0.225 456 S C 2.005 176.496 174.600 -0.182 0.000 1.030 456 S CA 1.783 59.878 58.200 -0.174 0.000 0.999 456 S CB -0.270 62.816 63.200 -0.191 0.000 0.844 456 S HN 0.598 nan 8.310 nan 0.000 0.459 457 T N -2.145 112.235 114.554 -0.290 0.000 3.144 457 T HA 0.201 4.551 4.350 0.000 0.000 0.249 457 T C 1.078 175.629 174.700 -0.248 0.000 1.089 457 T CA 0.661 62.521 62.100 -0.400 0.000 0.989 457 T CB -0.149 68.087 68.868 -1.054 0.000 0.992 457 T HN 0.289 nan 8.240 nan 0.000 0.540 458 D N 2.041 122.354 120.400 -0.146 0.000 2.221 458 D HA -0.124 4.516 4.640 0.000 0.000 0.204 458 D C 1.245 177.540 176.300 -0.009 0.000 0.982 458 D CA 1.053 55.015 54.000 -0.063 0.000 0.857 458 D CB -0.138 40.633 40.800 -0.048 0.000 0.934 458 D HN 0.381 nan 8.370 nan 0.000 0.475 459 D N -0.734 119.670 120.400 0.007 0.000 2.349 459 D HA 0.080 4.720 4.640 0.000 0.000 0.214 459 D C 0.148 176.509 176.300 0.103 0.000 1.063 459 D CA -0.077 53.952 54.000 0.049 0.000 0.847 459 D CB 0.374 41.200 40.800 0.043 0.000 0.933 459 D HN 0.289 nan 8.370 nan 0.000 0.513 460 L N 2.853 124.156 121.223 0.132 0.000 2.331 460 L HA 0.198 4.538 4.340 0.000 0.000 0.278 460 L C -1.715 175.315 176.870 0.267 0.000 1.106 460 L CA -1.506 53.483 54.840 0.249 0.000 0.824 460 L CB 0.862 43.120 42.059 0.332 0.000 1.142 460 L HN -0.276 nan 8.230 nan 0.000 0.443 461 P HA 0.174 nan 4.420 nan 0.000 0.238 461 P C -0.942 176.447 177.300 0.147 0.000 1.714 461 P CA 0.123 63.339 63.100 0.192 0.000 0.908 461 P CB 0.028 31.855 31.700 0.212 0.000 1.893 462 L N 0.613 121.926 121.223 0.150 0.000 2.424 462 L HA 0.399 4.739 4.340 0.000 0.000 0.258 462 L C 0.125 176.954 176.870 -0.069 0.000 0.995 462 L CA -0.739 54.076 54.840 -0.040 0.000 0.821 462 L CB 1.659 43.562 42.059 -0.260 0.000 1.383 462 L HN -0.130 nan 8.230 nan 0.000 0.410 463 N N 1.090 119.673 118.700 -0.196 0.000 2.529 463 N HA 0.536 5.276 4.740 0.000 0.000 0.278 463 N C -1.297 174.025 175.510 -0.314 0.000 1.146 463 N CA 0.055 52.969 53.050 -0.228 0.000 0.980 463 N CB 1.030 39.369 38.487 -0.246 0.000 1.124 463 N HN 0.274 nan 8.380 nan 0.000 0.458 464 F N -0.571 119.255 119.950 -0.206 0.000 2.563 464 F HA 0.581 5.108 4.527 0.000 0.000 0.316 464 F C 0.740 176.449 175.800 -0.151 0.000 1.076 464 F CA -0.757 57.120 58.000 -0.206 0.000 0.921 464 F CB 2.423 41.256 39.000 -0.279 0.000 1.209 464 F HN 0.396 nan 8.300 nan 0.000 0.462 465 G N 2.236 111.031 108.800 -0.009 0.000 2.707 465 G HA2 0.638 4.599 3.960 0.000 0.000 0.299 465 G HA3 0.638 4.599 3.960 0.000 0.000 0.299 465 G C -1.990 172.871 174.900 -0.065 0.000 1.442 465 G CA -0.444 44.729 45.100 0.122 0.000 1.009 465 G HN 0.349 nan 8.290 nan 0.000 0.515 466 F N 1.363 121.479 119.950 0.276 0.000 2.469 466 F HA 0.625 5.152 4.527 0.000 0.000 0.332 466 F C 0.853 176.764 175.800 0.185 0.000 1.103 466 F CA -0.692 57.462 58.000 0.256 0.000 0.979 466 F CB 2.826 41.906 39.000 0.133 0.000 1.137 466 F HN 0.472 nan 8.300 nan 0.000 0.463 467 T N -0.432 114.322 114.554 0.333 0.000 2.855 467 T HA 0.784 5.134 4.350 0.000 0.000 0.281 467 T C 0.176 174.962 174.700 0.145 0.000 1.007 467 T CA -0.811 61.402 62.100 0.188 0.000 1.009 467 T CB 1.634 70.574 68.868 0.120 0.000 0.983 467 T HN 0.763 nan 8.240 nan 0.000 0.455 468 G N 0.901 109.742 108.800 0.069 0.000 2.532 468 G HA2 0.471 4.431 3.960 0.000 0.000 0.291 468 G HA3 0.471 4.431 3.960 0.000 0.000 0.291 468 G C -0.780 174.097 174.900 -0.038 0.000 1.349 468 G CA -1.034 44.071 45.100 0.008 0.000 1.038 468 G HN 0.881 nan 8.290 nan 0.000 0.518 469 K N -0.008 120.316 120.400 -0.127 0.000 2.267 469 K HA 0.354 4.674 4.320 0.000 0.000 0.282 469 K C 0.951 177.463 176.600 -0.145 0.000 1.078 469 K CA -0.160 56.002 56.287 -0.208 0.000 0.903 469 K CB 0.758 32.957 32.500 -0.502 0.000 1.111 469 K HN 0.450 nan 8.250 nan 0.000 0.475 470 G N 1.931 110.688 108.800 -0.072 0.000 3.042 470 G HA2 -0.055 3.905 3.960 0.000 0.000 0.212 470 G HA3 -0.055 3.905 3.960 0.000 0.000 0.212 470 G C 0.109 174.996 174.900 -0.022 0.000 1.166 470 G CA -0.184 44.887 45.100 -0.048 0.000 0.767 470 G HN 0.539 nan 8.290 nan 0.000 0.546 471 S N 0.979 116.675 115.700 -0.006 0.000 3.455 471 S HA 0.451 4.921 4.470 0.000 0.000 0.288 471 S C 0.074 174.682 174.600 0.013 0.000 1.231 471 S CA 0.058 58.289 58.200 0.051 0.000 1.031 471 S CB -0.011 63.291 63.200 0.170 0.000 1.570 471 S HN 0.284 nan 8.310 nan 0.000 0.519 472 S N 0.981 116.682 115.700 0.003 0.000 2.537 472 S HA 0.399 4.869 4.470 0.000 0.000 0.270 472 S C 0.487 175.088 174.600 0.002 0.000 1.142 472 S CA -0.677 57.519 58.200 -0.007 0.000 0.870 472 S CB 1.530 64.707 63.200 -0.039 0.000 1.112 472 S HN 0.240 nan 8.310 nan 0.000 0.466 473 S N 1.514 117.217 115.700 0.006 0.000 2.575 473 S HA 0.303 4.773 4.470 0.000 0.000 0.215 473 S C -0.067 174.534 174.600 0.001 0.000 0.966 473 S CA 0.212 58.417 58.200 0.009 0.000 0.911 473 S CB -0.025 63.184 63.200 0.014 0.000 0.780 473 S HN 0.460 nan 8.310 nan 0.000 0.514 474 K N 1.635 122.030 120.400 -0.008 0.000 2.259 474 K HA 0.399 4.719 4.320 0.000 0.000 0.249 474 K C -2.051 174.531 176.600 -0.030 0.000 0.942 474 K CA -2.403 53.878 56.287 -0.009 0.000 0.816 474 K CB 1.509 34.007 32.500 -0.003 0.000 1.155 474 K HN -0.238 nan 8.250 nan 0.000 0.428 475 P HA -0.034 nan 4.420 nan 0.000 0.224 475 P C -0.310 176.943 177.300 -0.079 0.000 1.157 475 P CA 0.772 63.805 63.100 -0.111 0.000 0.799 475 P CB 0.446 32.087 31.700 -0.099 0.000 0.809 476 D N 1.411 121.836 120.400 0.040 0.000 2.230 476 D HA -0.236 4.404 4.640 0.000 0.000 0.189 476 D C 1.939 178.277 176.300 0.063 0.000 1.006 476 D CA 1.732 55.788 54.000 0.093 0.000 0.853 476 D CB -0.802 40.028 40.800 0.050 0.000 0.959 476 D HN 0.345 nan 8.370 nan 0.000 0.449 477 E N -0.597 119.605 120.200 0.003 0.000 2.204 477 E HA -0.100 4.250 4.350 0.000 0.000 0.194 477 E C 2.045 178.621 176.600 -0.039 0.000 0.989 477 E CA 0.253 56.643 56.400 -0.017 0.000 0.824 477 E CB 0.000 29.674 29.700 -0.045 0.000 0.756 477 E HN 0.163 nan 8.360 nan 0.000 0.477 478 L N 0.669 121.843 121.223 -0.082 0.000 2.083 478 L HA -0.181 4.159 4.340 0.000 0.000 0.209 478 L C 2.213 179.009 176.870 -0.123 0.000 1.083 478 L CA 1.566 56.330 54.840 -0.128 0.000 0.752 478 L CB -0.779 41.175 42.059 -0.176 0.000 0.899 478 L HN 0.209 nan 8.230 nan 0.000 0.433 479 H N -0.241 118.823 119.070 -0.011 0.000 2.352 479 H HA -0.104 4.452 4.556 0.000 0.000 0.299 479 H C 2.136 177.448 175.328 -0.027 0.000 1.097 479 H CA 1.379 57.435 56.048 0.013 0.000 1.311 479 H CB 0.161 29.981 29.762 0.097 0.000 1.377 479 H HN 0.346 nan 8.280 nan 0.000 0.504 480 E N 0.398 120.664 120.200 0.109 0.000 2.047 480 E HA -0.111 4.239 4.350 0.000 0.000 0.191 480 E C 2.424 179.034 176.600 0.017 0.000 0.987 480 E CA 0.366 56.800 56.400 0.055 0.000 0.799 480 E CB -0.473 29.248 29.700 0.036 0.000 0.752 480 E HN 0.312 nan 8.360 nan 0.000 0.449 481 I N 1.091 121.652 120.570 -0.015 0.000 2.394 481 I HA -0.155 4.015 4.170 0.000 0.000 0.251 481 I C 2.100 178.205 176.117 -0.021 0.000 1.136 481 I CA 0.753 62.040 61.300 -0.022 0.000 1.425 481 I CB -0.117 37.856 38.000 -0.045 0.000 1.079 481 I HN -0.005 nan 8.210 nan 0.000 0.425 482 I N -0.050 120.478 120.570 -0.071 0.000 2.252 482 I HA -0.277 3.894 4.170 0.000 0.000 0.245 482 I C 2.330 178.418 176.117 -0.048 0.000 1.102 482 I CA 1.174 62.403 61.300 -0.119 0.000 1.385 482 I CB -0.444 37.321 38.000 -0.392 0.000 1.064 482 I HN 0.090 nan 8.210 nan 0.000 0.414 483 K N 0.877 121.269 120.400 -0.013 0.000 2.147 483 K HA -0.108 4.212 4.320 0.000 0.000 0.205 483 K C 2.095 178.719 176.600 0.039 0.000 1.049 483 K CA 1.341 57.652 56.287 0.039 0.000 0.936 483 K CB -0.171 32.368 32.500 0.065 0.000 0.722 483 K HN 0.306 nan 8.250 nan 0.000 0.446 484 A N -0.091 122.762 122.820 0.056 0.000 2.119 484 A HA 0.059 4.379 4.320 0.000 0.000 0.217 484 A C 1.508 179.186 177.584 0.155 0.000 1.153 484 A CA 1.468 53.577 52.037 0.119 0.000 0.692 484 A CB -0.073 18.985 19.000 0.097 0.000 0.799 484 A HN 0.453 nan 8.150 nan 0.000 0.458 485 G N -2.921 105.938 108.800 0.098 0.000 2.613 485 G HA2 0.281 4.241 3.960 0.000 0.000 0.199 485 G HA3 0.281 4.241 3.960 0.000 0.000 0.199 485 G C 0.332 175.319 174.900 0.145 0.000 0.991 485 G CA -0.014 45.161 45.100 0.125 0.000 0.756 485 G HN 1.277 nan 8.290 nan 0.000 0.515 486 A N 0.880 123.766 122.820 0.111 0.000 2.511 486 A HA 0.574 4.894 4.320 0.000 0.000 0.242 486 A C 1.198 178.860 177.584 0.129 0.000 1.069 486 A CA 1.063 53.180 52.037 0.133 0.000 0.763 486 A CB -0.016 19.027 19.000 0.072 0.000 1.001 486 A HN 1.146 nan 8.150 nan 0.000 0.498 487 M N 1.227 120.934 119.600 0.179 0.000 2.419 487 M HA 0.510 4.991 4.480 0.000 0.000 0.252 487 M C 0.434 176.809 176.300 0.125 0.000 1.143 487 M CA -0.033 55.370 55.300 0.172 0.000 0.985 487 M CB -0.371 32.381 32.600 0.252 0.000 1.489 487 M HN 0.922 nan 8.290 nan 0.000 0.484 488 G N -0.381 108.475 108.800 0.093 0.000 2.349 488 G HA2 0.626 4.586 3.960 0.000 0.000 0.294 488 G HA3 0.626 4.586 3.960 0.000 0.000 0.294 488 G C -2.138 172.776 174.900 0.024 0.000 1.380 488 G CA -1.062 44.067 45.100 0.047 0.000 0.811 488 G HN 0.200 nan 8.290 nan 0.000 0.519 492 H N 2.893 122.073 119.070 0.183 0.000 2.679 492 H HA 0.243 4.799 4.556 0.000 0.000 0.360 492 H C 0.289 175.649 175.328 0.052 0.000 1.105 492 H CA -0.223 55.900 56.048 0.124 0.000 1.196 492 H CB 2.515 32.368 29.762 0.152 0.000 1.636 492 H HN 0.857 nan 8.280 nan 0.000 0.531 493 E N 2.135 122.295 120.200 -0.065 0.000 2.209 493 E HA -0.195 4.155 4.350 0.000 0.000 0.196 493 E C 0.144 176.803 176.600 0.098 0.000 0.993 493 E CA 1.546 57.968 56.400 0.037 0.000 0.819 493 E CB 0.175 29.872 29.700 -0.005 0.000 0.745 493 E HN 0.456 nan 8.360 nan 0.000 0.477 494 D N 0.131 120.655 120.400 0.207 0.000 2.218 494 D HA -0.118 4.522 4.640 0.000 0.000 0.204 494 D C 0.738 176.885 176.300 -0.254 0.000 0.976 494 D CA 0.990 54.897 54.000 -0.156 0.000 0.853 494 D CB -0.191 40.308 40.800 -0.502 0.000 0.939 494 D HN 0.478 nan 8.370 nan 0.000 0.481 495 W N 0.300 121.641 121.300 0.068 0.000 3.103 495 W HA 0.401 5.062 4.660 0.000 0.000 0.325 495 W C 0.499 177.040 176.519 0.038 0.000 1.170 495 W CA 0.057 57.421 57.345 0.032 0.000 1.712 495 W CB 1.013 30.492 29.460 0.031 0.000 1.068 495 W HN -0.061 nan 8.180 nan 0.000 0.592 496 G N 0.764 109.704 108.800 0.232 0.000 3.448 496 G HA2 -0.063 3.897 3.960 0.000 0.000 0.685 496 G HA3 -0.063 3.897 3.960 0.000 0.000 0.685 496 G C -0.461 174.526 174.900 0.144 0.000 1.151 496 G CA -0.707 44.482 45.100 0.149 0.000 1.023 496 G HN -0.127 nan 8.290 nan 0.000 0.499 497 S N 1.453 117.216 115.700 0.105 0.000 2.312 497 S HA 0.537 5.007 4.470 0.000 0.000 0.211 497 S C 0.899 175.550 174.600 0.085 0.000 1.315 497 S CA 0.159 58.421 58.200 0.103 0.000 1.267 497 S CB 0.348 63.605 63.200 0.095 0.000 1.072 497 S HN 1.429 nan 8.310 nan 0.000 0.490 498 T N -0.717 113.882 114.554 0.077 0.000 2.874 498 T HA 0.384 4.734 4.350 0.000 0.000 0.281 498 T C -2.076 172.664 174.700 0.067 0.000 0.994 498 T CA -1.791 60.345 62.100 0.060 0.000 1.015 498 T CB 0.806 69.698 68.868 0.041 0.000 1.028 498 T HN -0.101 nan 8.240 nan 0.000 0.523 499 P HA -0.052 nan 4.420 nan 0.000 0.216 499 P C 1.663 178.993 177.300 0.051 0.000 1.150 499 P CA 1.505 64.635 63.100 0.051 0.000 0.837 499 P CB -0.281 31.436 31.700 0.029 0.000 0.786 500 A N -0.147 122.696 122.820 0.038 0.000 1.902 500 A HA -0.129 4.191 4.320 0.000 0.000 0.217 500 A C 2.299 179.908 177.584 0.042 0.000 1.181 500 A CA 2.155 54.212 52.037 0.034 0.000 0.623 500 A CB -1.569 17.446 19.000 0.024 0.000 0.818 500 A HN 0.203 nan 8.150 nan 0.000 0.443 501 A N -0.169 122.681 122.820 0.050 0.000 1.897 501 A HA 0.003 4.323 4.320 0.000 0.000 0.215 501 A C 2.114 179.736 177.584 0.065 0.000 1.181 501 A CA 1.325 53.393 52.037 0.052 0.000 0.620 501 A CB -0.575 18.463 19.000 0.063 0.000 0.821 501 A HN 0.476 nan 8.150 nan 0.000 0.443 502 I N -0.112 120.514 120.570 0.093 0.000 2.163 502 I HA -0.285 3.885 4.170 0.000 0.000 0.243 502 I C 2.347 178.535 176.117 0.119 0.000 1.085 502 I CA 2.040 63.421 61.300 0.134 0.000 1.347 502 I CB -0.424 37.697 38.000 0.201 0.000 1.044 502 I HN 0.405 nan 8.210 nan 0.000 0.408 503 D N 0.929 121.388 120.400 0.098 0.000 2.097 503 D HA -0.245 4.395 4.640 0.000 0.000 0.195 503 D C 1.888 178.221 176.300 0.055 0.000 0.989 503 D CA 1.773 55.821 54.000 0.081 0.000 0.827 503 D CB -0.172 40.666 40.800 0.063 0.000 0.966 503 D HN 0.207 nan 8.370 nan 0.000 0.456 504 N N -0.642 118.081 118.700 0.039 0.000 2.069 504 N HA -0.184 4.556 4.740 0.000 0.000 0.191 504 N C 1.926 177.441 175.510 0.008 0.000 1.031 504 N CA 1.735 54.795 53.050 0.018 0.000 0.852 504 N CB -0.809 37.682 38.487 0.007 0.000 1.018 504 N HN 0.362 nan 8.380 nan 0.000 0.423 505 C N -0.162 119.146 119.300 0.014 0.000 2.413 505 C HA 0.023 4.483 4.460 0.000 0.000 0.276 505 C C 2.589 177.585 174.990 0.010 0.000 1.248 505 C CA 0.553 59.572 59.018 0.001 0.000 1.742 505 C CB -1.479 26.266 27.740 0.008 0.000 2.017 505 C HN 0.578 nan 8.230 nan 0.000 0.481 506 L N -0.038 121.202 121.223 0.027 0.000 2.093 506 L HA -0.105 4.236 4.340 0.000 0.000 0.208 506 L C 2.736 179.628 176.870 0.037 0.000 1.085 506 L CA 1.897 56.752 54.840 0.026 0.000 0.755 506 L CB -0.876 41.209 42.059 0.044 0.000 0.904 506 L HN 0.361 nan 8.230 nan 0.000 0.435 507 T N 0.026 114.604 114.554 0.040 0.000 2.746 507 T HA -0.137 4.213 4.350 0.000 0.000 0.267 507 T C 1.976 176.716 174.700 0.067 0.000 1.039 507 T CA 0.960 63.089 62.100 0.047 0.000 1.142 507 T CB -0.021 68.868 68.868 0.034 0.000 0.866 507 T HN 0.089 nan 8.240 nan 0.000 0.444 508 I N 1.555 122.152 120.570 0.046 0.000 2.226 508 I HA -0.140 4.030 4.170 0.000 0.000 0.245 508 I C 2.855 179.079 176.117 0.179 0.000 1.100 508 I CA 1.137 62.485 61.300 0.080 0.000 1.374 508 I CB -1.350 36.631 38.000 -0.031 0.000 1.057 508 I HN 0.189 nan 8.210 nan 0.000 0.413 509 A N 0.250 123.129 122.820 0.099 0.000 1.933 509 A HA -0.187 4.133 4.320 0.000 0.000 0.218 509 A C 2.106 179.745 177.584 0.091 0.000 1.175 509 A CA 1.327 53.417 52.037 0.088 0.000 0.628 509 A CB -0.424 18.591 19.000 0.025 0.000 0.814 509 A HN 0.366 nan 8.150 nan 0.000 0.444 510 E N -0.809 119.439 120.200 0.080 0.000 2.153 510 E HA -0.215 4.135 4.350 0.000 0.000 0.194 510 E C 1.774 178.420 176.600 0.077 0.000 0.988 510 E CA 1.690 58.128 56.400 0.064 0.000 0.811 510 E CB -0.436 29.300 29.700 0.060 0.000 0.746 510 E HN 0.927 nan 8.360 nan 0.000 0.466 511 H N -0.675 118.405 119.070 0.016 0.000 2.403 511 H HA 0.015 4.571 4.556 0.000 0.000 0.298 511 H C 1.392 176.646 175.328 -0.123 0.000 1.059 511 H CA 1.620 57.636 56.048 -0.052 0.000 1.363 511 H CB 0.036 29.766 29.762 -0.054 0.000 1.410 511 H HN 0.156 nan 8.280 nan 0.000 0.528 512 H N -0.878 118.212 119.070 0.033 0.000 2.553 512 H HA 0.108 4.664 4.556 0.000 0.000 0.265 512 H C 0.086 175.401 175.328 -0.020 0.000 0.964 512 H CA 0.658 56.697 56.048 -0.015 0.000 1.156 512 H CB 0.463 30.284 29.762 0.098 0.000 1.411 512 H HN 0.328 nan 8.280 nan 0.000 0.558 513 D N 0.664 121.109 120.400 0.073 0.000 2.705 513 D HA -0.163 4.477 4.640 0.000 0.000 0.240 513 D C -0.616 175.719 176.300 0.058 0.000 1.137 513 D CA 0.782 54.806 54.000 0.040 0.000 0.677 513 D CB -1.318 39.489 40.800 0.011 0.000 1.049 513 D HN 0.627 nan 8.370 nan 0.000 0.427 514 I N -2.934 117.674 120.570 0.063 0.000 2.892 514 I HA 0.692 4.862 4.170 0.000 0.000 0.306 514 I C -0.019 176.101 176.117 0.005 0.000 1.078 514 I CA -1.329 59.998 61.300 0.045 0.000 1.032 514 I CB 1.806 39.842 38.000 0.060 0.000 1.229 514 I HN -0.146 nan 8.210 nan 0.000 0.435 515 Q N 2.807 122.597 119.800 -0.017 0.000 2.259 515 Q HA 0.532 4.872 4.340 0.000 0.000 0.246 515 Q C -1.204 174.760 176.000 -0.060 0.000 0.920 515 Q CA -0.356 55.417 55.803 -0.050 0.000 0.895 515 Q CB 1.319 30.017 28.738 -0.067 0.000 1.220 515 Q HN 0.581 nan 8.270 nan 0.000 0.439 516 I N 3.623 124.136 120.570 -0.096 0.000 2.404 516 I HA 0.384 4.554 4.170 0.000 0.000 0.293 516 I C -0.664 175.320 176.117 -0.222 0.000 0.992 516 I CA -0.672 60.549 61.300 -0.132 0.000 1.149 516 I CB 1.262 39.190 38.000 -0.120 0.000 1.315 516 I HN 0.619 nan 8.210 nan 0.000 0.446 517 N N 6.979 125.479 118.700 -0.333 0.000 2.362 517 N HA 0.581 5.322 4.740 0.000 0.000 0.298 517 N C -0.802 174.384 175.510 -0.540 0.000 1.048 517 N CA -0.398 52.244 53.050 -0.681 0.000 0.858 517 N CB 3.171 40.957 38.487 -1.169 0.000 1.218 517 N HN 0.575 nan 8.380 nan 0.000 0.488 518 I N 0.320 120.579 120.570 -0.518 0.000 2.647 518 I HA 0.259 4.429 4.170 0.000 0.000 0.295 518 I C -1.141 174.916 176.117 -0.101 0.000 1.078 518 I CA -0.847 60.330 61.300 -0.206 0.000 1.048 518 I CB 2.295 40.263 38.000 -0.055 0.000 1.239 518 I HN 0.573 nan 8.210 nan 0.000 0.421 519 H N 5.543 124.558 119.070 -0.092 0.000 2.762 519 H HA 0.398 4.954 4.556 0.000 0.000 0.310 519 H C -0.279 175.012 175.328 -0.061 0.000 1.004 519 H CA -0.528 55.489 56.048 -0.053 0.000 1.267 519 H CB 0.965 30.588 29.762 -0.232 0.000 1.437 519 H HN 0.719 nan 8.280 nan 0.000 0.498 520 T N 0.996 115.640 114.554 0.150 0.000 2.667 520 T HA -0.060 4.290 4.350 0.000 0.000 0.305 520 T C 0.627 175.300 174.700 -0.045 0.000 1.022 520 T CA -0.811 61.314 62.100 0.043 0.000 0.995 520 T CB 0.695 69.556 68.868 -0.010 0.000 1.026 520 T HN 0.606 nan 8.240 nan 0.000 0.527 521 D N 0.405 120.608 120.400 -0.327 0.000 2.441 521 D HA 0.125 4.765 4.640 0.000 0.000 0.243 521 D C 1.236 177.354 176.300 -0.304 0.000 1.257 521 D CA 0.037 53.874 54.000 -0.271 0.000 1.027 521 D CB -0.253 40.422 40.800 -0.208 0.000 1.084 521 D HN 0.579 nan 8.370 nan 0.000 0.514 522 T N 3.241 117.770 114.554 -0.042 0.000 2.737 522 T HA -0.156 4.194 4.350 0.000 0.000 0.269 522 T C 1.901 176.688 174.700 0.145 0.000 1.040 522 T CA 0.846 62.989 62.100 0.072 0.000 1.142 522 T CB 0.005 68.993 68.868 0.200 0.000 0.861 522 T HN 0.447 nan 8.240 nan 0.000 0.456 523 L N 0.906 122.208 121.223 0.132 0.000 2.551 523 L HA 0.056 4.396 4.340 0.000 0.000 0.228 523 L C 0.623 177.566 176.870 0.122 0.000 1.153 523 L CA 0.134 55.057 54.840 0.138 0.000 0.851 523 L CB -0.755 41.344 42.059 0.067 0.000 0.959 523 L HN 0.277 nan 8.230 nan 0.000 0.451 524 N N 0.425 119.206 118.700 0.134 0.000 2.708 524 N HA -0.273 4.467 4.740 0.000 0.000 0.249 524 N C 1.149 176.624 175.510 -0.057 0.000 1.097 524 N CA 1.276 54.406 53.050 0.133 0.000 0.710 524 N CB -0.988 37.632 38.487 0.222 0.000 1.032 524 N HN 0.591 nan 8.380 nan 0.000 0.551 525 E N 0.302 120.490 120.200 -0.020 0.000 2.038 525 E HA -0.109 4.241 4.350 0.000 0.000 0.195 525 E C 1.648 178.193 176.600 -0.092 0.000 1.000 525 E CA 1.639 58.009 56.400 -0.050 0.000 0.803 525 E CB -0.008 29.679 29.700 -0.021 0.000 0.750 525 E HN 0.504 nan 8.360 nan 0.000 0.448 526 A N -0.033 122.744 122.820 -0.071 0.000 2.195 526 A HA 0.390 4.710 4.320 0.000 0.000 0.210 526 A C 0.795 178.271 177.584 -0.179 0.000 1.165 526 A CA 0.837 52.817 52.037 -0.095 0.000 0.806 526 A CB 0.539 19.517 19.000 -0.037 0.000 0.847 526 A HN 0.399 nan 8.150 nan 0.000 0.482 527 G N -2.103 106.590 108.800 -0.180 0.000 2.313 527 G HA2 0.428 4.388 3.960 0.000 0.000 0.296 527 G HA3 0.428 4.388 3.960 0.000 0.000 0.296 527 G C -1.069 173.795 174.900 -0.060 0.000 1.356 527 G CA -0.860 44.069 45.100 -0.286 0.000 0.833 527 G HN 0.017 nan 8.290 nan 0.000 0.552 528 F N -0.791 119.391 119.950 0.387 0.000 2.364 528 F HA 0.540 5.067 4.527 0.000 0.000 0.316 528 F C 1.883 177.341 175.800 -0.569 0.000 1.133 528 F CA -0.011 57.993 58.000 0.008 0.000 1.051 528 F CB 1.122 40.141 39.000 0.032 0.000 1.342 528 F HN 0.307 nan 8.300 nan 0.000 0.507 529 V N 1.541 121.046 119.914 -0.682 0.000 2.380 529 V HA -0.250 3.870 4.120 0.000 0.000 0.251 529 V C 2.213 178.063 176.094 -0.406 0.000 1.063 529 V CA 2.507 64.322 62.300 -0.809 0.000 1.055 529 V CB -0.597 31.035 31.823 -0.318 0.000 0.657 529 V HN 0.831 nan 8.190 nan 0.000 0.455 530 E N -0.782 119.226 120.200 -0.320 0.000 2.204 530 E HA -0.303 4.047 4.350 0.000 0.000 0.195 530 E C 1.772 178.148 176.600 -0.374 0.000 0.990 530 E CA 2.191 58.390 56.400 -0.334 0.000 0.821 530 E CB -0.778 28.708 29.700 -0.356 0.000 0.750 530 E HN 0.866 nan 8.360 nan 0.000 0.477 531 H N 0.697 119.682 119.070 -0.142 0.000 2.428 531 H HA 0.108 4.664 4.556 0.000 0.000 0.296 531 H C 2.272 177.495 175.328 -0.175 0.000 1.062 531 H CA 1.457 57.434 56.048 -0.119 0.000 1.350 531 H CB 0.255 29.974 29.762 -0.073 0.000 1.403 531 H HN 0.084 nan 8.280 nan 0.000 0.533 532 S N 0.094 115.719 115.700 -0.126 0.000 2.371 532 S HA -0.073 4.397 4.470 0.000 0.000 0.224 532 S C 2.130 176.218 174.600 -0.853 0.000 1.029 532 S CA 0.823 58.872 58.200 -0.252 0.000 0.978 532 S CB -0.074 63.141 63.200 0.026 0.000 0.833 532 S HN 0.280 nan 8.310 nan 0.000 0.466 533 I N 1.745 121.849 120.570 -0.777 0.000 2.286 533 I HA -0.218 3.952 4.170 0.000 0.000 0.248 533 I C 2.634 178.458 176.117 -0.487 0.000 1.115 533 I CA 1.080 61.859 61.300 -0.869 0.000 1.392 533 I CB -0.430 37.378 38.000 -0.321 0.000 1.065 533 I HN 0.259 nan 8.210 nan 0.000 0.418 534 A N 0.720 123.368 122.820 -0.285 0.000 1.933 534 A HA -0.129 4.191 4.320 0.000 0.000 0.218 534 A C 2.519 180.056 177.584 -0.079 0.000 1.175 534 A CA 1.679 53.642 52.037 -0.122 0.000 0.628 534 A CB -0.722 18.238 19.000 -0.067 0.000 0.814 534 A HN 0.428 nan 8.150 nan 0.000 0.444 535 A N -1.081 121.660 122.820 -0.132 0.000 2.070 535 A HA 0.049 4.369 4.320 0.000 0.000 0.220 535 A C 1.751 179.414 177.584 0.131 0.000 1.159 535 A CA 1.289 53.318 52.037 -0.013 0.000 0.656 535 A CB -0.684 18.311 19.000 -0.008 0.000 0.800 535 A HN 0.436 nan 8.150 nan 0.000 0.453 536 F N -0.511 119.459 119.950 0.032 0.000 2.234 536 F HA 0.016 4.543 4.527 0.000 0.000 0.299 536 F C 1.245 177.055 175.800 0.016 0.000 1.087 536 F CA 0.792 58.804 58.000 0.021 0.000 1.340 536 F CB -0.765 38.245 39.000 0.016 0.000 1.031 536 F HN 0.253 nan 8.300 nan 0.000 0.500 537 K N -0.233 120.280 120.400 0.188 0.000 3.035 537 K HA -0.230 4.090 4.320 0.000 0.000 0.262 537 K C 1.108 177.769 176.600 0.102 0.000 1.024 537 K CA 0.288 56.640 56.287 0.108 0.000 0.748 537 K CB -1.989 30.561 32.500 0.084 0.000 1.247 537 K HN 0.578 nan 8.250 nan 0.000 0.482 538 G N -0.119 108.758 108.800 0.129 0.000 2.189 538 G HA2 -0.378 3.582 3.960 0.000 0.000 0.267 538 G HA3 -0.378 3.582 3.960 0.000 0.000 0.267 538 G C 0.124 175.060 174.900 0.062 0.000 0.975 538 G CA 0.785 45.938 45.100 0.089 0.000 0.644 538 G HN 0.426 nan 8.290 nan 0.000 0.537 539 R N 0.598 121.139 120.500 0.069 0.000 2.490 539 R HA 0.477 4.817 4.340 0.000 0.000 0.278 539 R C 0.449 176.714 176.300 -0.058 0.000 1.069 539 R CA 0.019 56.126 56.100 0.011 0.000 1.080 539 R CB 0.455 30.768 30.300 0.021 0.000 1.030 539 R HN 0.151 nan 8.270 nan 0.000 0.491 540 T N 3.129 117.639 114.554 -0.074 0.000 2.902 540 T HA 0.211 4.561 4.350 0.000 0.000 0.301 540 T C 0.140 174.727 174.700 -0.187 0.000 1.012 540 T CA 0.398 62.427 62.100 -0.117 0.000 1.151 540 T CB 0.059 68.871 68.868 -0.093 0.000 0.946 540 T HN 0.388 nan 8.240 nan 0.000 0.542 541 I N 1.799 122.215 120.570 -0.256 0.000 2.775 541 I HA 0.264 4.434 4.170 0.000 0.000 0.295 541 I C -0.899 175.085 176.117 -0.221 0.000 1.287 541 I CA -0.896 60.209 61.300 -0.324 0.000 1.029 541 I CB 2.179 39.781 38.000 -0.664 0.000 1.282 541 I HN 0.730 nan 8.210 nan 0.000 0.426 542 H N 5.417 124.304 119.070 -0.305 0.000 2.556 542 H HA 0.404 4.960 4.556 0.000 0.000 0.310 542 H C -0.815 174.342 175.328 -0.286 0.000 1.057 542 H CA -0.574 55.318 56.048 -0.260 0.000 1.264 542 H CB 1.006 30.615 29.762 -0.255 0.000 1.404 542 H HN 0.607 nan 8.280 nan 0.000 0.462 543 T N 3.277 117.857 114.554 0.043 0.000 2.728 543 T HA 0.131 4.482 4.350 0.000 0.000 0.296 543 T C -0.207 174.453 174.700 -0.066 0.000 0.940 543 T CA -0.751 61.308 62.100 -0.069 0.000 1.013 543 T CB 0.161 69.054 68.868 0.041 0.000 0.912 543 T HN 0.308 nan 8.240 nan 0.000 0.484 544 Y N 3.152 123.192 120.300 -0.433 0.000 2.357 544 Y HA 0.183 4.733 4.550 0.000 0.000 0.340 544 Y C 1.540 177.091 175.900 -0.581 0.000 1.260 544 Y CA -0.681 57.092 58.100 -0.545 0.000 1.425 544 Y CB 0.011 38.029 38.460 -0.736 0.000 1.326 544 Y HN 1.042 nan 8.280 nan 0.000 0.580 545 H N -1.702 117.498 119.070 0.216 0.000 2.000 545 H HA -0.193 4.363 4.556 0.000 0.000 0.321 545 H C 0.789 176.147 175.328 0.050 0.000 0.878 545 H CA 0.348 56.448 56.048 0.087 0.000 1.061 545 H CB -1.902 27.881 29.762 0.036 0.000 1.579 545 H HN 0.475 nan 8.280 nan 0.000 0.316 546 S N -0.195 115.590 115.700 0.142 0.000 2.440 546 S HA -0.237 4.234 4.470 0.000 0.000 0.238 546 S C 2.002 176.655 174.600 0.090 0.000 1.010 546 S CA 1.074 59.339 58.200 0.109 0.000 0.972 546 S CB 0.003 63.252 63.200 0.082 0.000 0.774 546 S HN 0.745 nan 8.310 nan 0.000 0.501 547 E N 0.939 121.186 120.200 0.078 0.000 2.150 547 E HA -0.091 4.259 4.350 0.000 0.000 0.193 547 E C 1.587 178.192 176.600 0.007 0.000 0.985 547 E CA 1.199 57.616 56.400 0.029 0.000 0.814 547 E CB -0.253 29.454 29.700 0.012 0.000 0.752 547 E HN 0.538 nan 8.360 nan 0.000 0.466 548 G N -0.085 108.732 108.800 0.028 0.000 2.259 548 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 548 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 548 G C 1.382 176.205 174.900 -0.128 0.000 1.001 548 G CA 0.657 45.733 45.100 -0.041 0.000 0.627 548 G HN 0.580 nan 8.290 nan 0.000 0.501 549 A N 0.751 123.509 122.820 -0.102 0.000 1.940 549 A HA 0.302 4.622 4.320 0.000 0.000 0.219 549 A C 2.607 180.098 177.584 -0.154 0.000 1.176 549 A CA 2.459 54.443 52.037 -0.089 0.000 0.631 549 A CB -0.857 18.140 19.000 -0.006 0.000 0.814 549 A HN 1.672 nan 8.150 nan 0.000 0.446 550 G N -1.609 107.003 108.800 -0.314 0.000 2.920 550 G HA2 0.442 4.402 3.960 0.000 0.000 0.208 550 G HA3 0.442 4.402 3.960 0.000 0.000 0.208 550 G C 0.680 174.975 174.900 -1.008 0.000 1.159 550 G CA 0.732 45.457 45.100 -0.625 0.000 0.784 550 G HN 1.640 nan 8.290 nan 0.000 0.535 551 G N -2.160 106.216 108.800 -0.705 0.000 2.435 551 G HA2 0.567 4.527 3.960 0.000 0.000 0.603 551 G HA3 0.567 4.527 3.960 0.000 0.000 0.603 551 G C -0.285 174.378 174.900 -0.395 0.000 1.496 551 G CA -0.140 44.606 45.100 -0.590 0.000 0.896 551 G HN 1.798 nan 8.290 nan 0.000 0.657 552 G N 0.608 109.311 108.800 -0.161 0.000 2.321 552 G HA2 0.497 4.457 3.960 0.000 0.000 0.339 552 G HA3 0.497 4.457 3.960 0.000 0.000 0.339 552 G C -0.477 174.430 174.900 0.011 0.000 1.518 552 G CA -0.400 44.669 45.100 -0.053 0.000 0.994 552 G HN 1.452 nan 8.290 nan 0.000 0.668 553 H N 0.018 119.135 119.070 0.078 0.000 3.221 553 H HA 0.205 4.761 4.556 0.000 0.000 0.272 553 H C 1.099 176.453 175.328 0.042 0.000 0.865 553 H CA 1.527 57.631 56.048 0.094 0.000 1.419 553 H CB 0.368 30.195 29.762 0.108 0.000 1.377 553 H HN 0.977 nan 8.280 nan 0.000 0.535 554 A N 7.029 129.944 122.820 0.159 0.000 2.328 554 A HA 0.293 4.613 4.320 0.000 0.000 0.284 554 A C -1.518 176.081 177.584 0.025 0.000 1.160 554 A CA -1.217 50.834 52.037 0.024 0.000 0.818 554 A CB 0.736 19.741 19.000 0.009 0.000 1.087 554 A HN 0.534 nan 8.150 nan 0.000 0.504 555 P HA 0.151 nan 4.420 nan 0.000 0.290 555 P C -0.529 176.640 177.300 -0.217 0.000 1.447 555 P CA 0.161 63.065 63.100 -0.328 0.000 1.127 555 P CB 0.618 31.793 31.700 -0.875 0.000 1.555 556 D N -0.587 119.758 120.400 -0.090 0.000 2.463 556 D HA 0.019 4.659 4.640 0.000 0.000 0.224 556 D C 1.360 177.660 176.300 0.000 0.000 1.174 556 D CA -0.645 53.322 54.000 -0.055 0.000 0.829 556 D CB -0.518 40.244 40.800 -0.063 0.000 0.993 556 D HN -0.019 nan 8.370 nan 0.000 0.497 557 I N 0.710 121.309 120.570 0.048 0.000 2.335 557 I HA -0.155 4.015 4.170 0.000 0.000 0.251 557 I C 1.732 177.888 176.117 0.065 0.000 1.129 557 I CA 0.877 62.238 61.300 0.102 0.000 1.402 557 I CB -0.187 37.891 38.000 0.130 0.000 1.069 557 I HN 0.167 nan 8.210 nan 0.000 0.424 558 I N 0.208 120.795 120.570 0.028 0.000 2.800 558 I HA -0.319 3.851 4.170 0.000 0.000 0.266 558 I C 2.087 178.217 176.117 0.022 0.000 1.249 558 I CA 1.150 62.465 61.300 0.024 0.000 1.458 558 I CB -0.332 37.669 38.000 0.001 0.000 1.093 558 I HN 0.253 nan 8.210 nan 0.000 0.466 559 K N -0.023 120.386 120.400 0.015 0.000 2.280 559 K HA -0.151 4.170 4.320 0.000 0.000 0.202 559 K C 1.934 178.551 176.600 0.028 0.000 1.047 559 K CA 1.597 57.889 56.287 0.008 0.000 0.942 559 K CB -0.218 32.274 32.500 -0.014 0.000 0.739 559 K HN 0.472 nan 8.250 nan 0.000 0.457 560 V N -1.379 118.570 119.914 0.058 0.000 2.688 560 V HA -0.254 3.867 4.120 0.000 0.000 0.256 560 V C 1.940 178.072 176.094 0.062 0.000 1.084 560 V CA 1.414 63.768 62.300 0.091 0.000 1.103 560 V CB -1.308 30.604 31.823 0.148 0.000 0.688 560 V HN 0.280 nan 8.190 nan 0.000 0.480 561 C N 1.657 120.981 119.300 0.040 0.000 2.430 561 C HA 0.187 4.647 4.460 0.000 0.000 0.288 561 C C 2.441 177.438 174.990 0.012 0.000 1.448 561 C CA 0.865 59.896 59.018 0.021 0.000 1.784 561 C CB -1.919 25.828 27.740 0.012 0.000 1.776 561 C HN 0.763 nan 8.230 nan 0.000 0.547 562 G N -0.763 108.047 108.800 0.017 0.000 3.277 562 G HA2 0.294 4.254 3.960 0.000 0.000 0.243 562 G HA3 0.294 4.254 3.960 0.000 0.000 0.243 562 G C 0.261 175.171 174.900 0.017 0.000 1.107 562 G CA 0.059 45.166 45.100 0.011 0.000 0.771 562 G HN 0.344 nan 8.290 nan 0.000 0.544 563 I N 1.268 121.857 120.570 0.032 0.000 2.315 563 I HA 0.223 4.393 4.170 0.000 0.000 0.291 563 I C 1.218 177.354 176.117 0.031 0.000 1.006 563 I CA -0.506 60.822 61.300 0.046 0.000 1.265 563 I CB 1.552 39.610 38.000 0.097 0.000 1.387 563 I HN 0.062 nan 8.210 nan 0.000 0.475 564 K N 5.761 126.174 120.400 0.021 0.000 2.074 564 K HA -0.217 4.103 4.320 0.000 0.000 0.209 564 K C 1.174 177.771 176.600 -0.004 0.000 1.048 564 K CA 2.328 58.618 56.287 0.005 0.000 0.926 564 K CB 0.079 32.581 32.500 0.005 0.000 0.713 564 K HN 0.781 nan 8.250 nan 0.000 0.444 565 N N -0.735 117.971 118.700 0.010 0.000 2.449 565 N HA 0.020 4.760 4.740 0.000 0.000 0.191 565 N C -0.625 174.852 175.510 -0.055 0.000 1.161 565 N CA -0.293 52.747 53.050 -0.017 0.000 0.863 565 N CB 0.603 39.093 38.487 0.005 0.000 0.980 565 N HN -0.154 nan 8.380 nan 0.000 0.458 566 V N 1.487 121.382 119.914 -0.031 0.000 2.427 566 V HA 0.261 4.381 4.120 0.000 0.000 0.286 566 V C -0.098 175.958 176.094 -0.063 0.000 1.034 566 V CA -0.763 61.503 62.300 -0.055 0.000 0.893 566 V CB 1.633 33.468 31.823 0.021 0.000 0.982 566 V HN 0.269 nan 8.190 nan 0.000 0.452 567 L N 8.152 129.320 121.223 -0.090 0.000 2.283 567 L HA 0.449 4.789 4.340 0.000 0.000 0.281 567 L C -2.403 174.434 176.870 -0.056 0.000 1.033 567 L CA -1.477 53.283 54.840 -0.133 0.000 0.848 567 L CB 1.716 43.628 42.059 -0.244 0.000 1.226 567 L HN 0.426 nan 8.230 nan 0.000 0.429 568 P HA 0.274 nan 4.420 nan 0.000 0.294 568 P C -0.900 176.442 177.300 0.069 0.000 1.294 568 P CA -0.328 62.809 63.100 0.062 0.000 0.827 568 P CB 2.028 33.748 31.700 0.033 0.000 0.992 569 S N 1.573 117.392 115.700 0.198 0.000 2.634 569 S HA 0.816 5.286 4.470 0.000 0.000 0.296 569 S C -0.326 174.362 174.600 0.148 0.000 1.104 569 S CA -0.618 57.700 58.200 0.197 0.000 0.920 569 S CB 1.283 64.754 63.200 0.452 0.000 1.111 569 S HN 0.546 nan 8.310 nan 0.000 0.493 570 S N 0.248 116.009 115.700 0.102 0.000 2.599 570 S HA 0.831 5.301 4.470 0.000 0.000 0.294 570 S C -0.135 174.506 174.600 0.069 0.000 1.094 570 S CA -0.634 57.619 58.200 0.088 0.000 0.931 570 S CB 1.071 64.299 63.200 0.046 0.000 1.093 570 S HN 1.178 nan 8.310 nan 0.000 0.488 571 T N -0.544 114.048 114.554 0.063 0.000 2.912 571 T HA 0.400 4.750 4.350 0.000 0.000 0.280 571 T C 0.823 175.520 174.700 -0.004 0.000 0.989 571 T CA -0.558 61.533 62.100 -0.015 0.000 0.995 571 T CB 0.636 69.467 68.868 -0.062 0.000 1.077 571 T HN 0.720 nan 8.240 nan 0.000 0.531 572 N N 0.102 118.785 118.700 -0.028 0.000 2.422 572 N HA 0.055 4.795 4.740 0.000 0.000 0.181 572 N C -1.029 174.494 175.510 0.022 0.000 1.080 572 N CA -0.447 52.599 53.050 -0.008 0.000 0.893 572 N CB -1.176 37.295 38.487 -0.028 0.000 0.973 572 N HN 0.435 nan 8.380 nan 0.000 0.456 573 P HA -0.055 nan 4.420 nan 0.000 0.223 573 P C 0.727 178.147 177.300 0.199 0.000 1.151 573 P CA 1.356 64.538 63.100 0.136 0.000 0.787 573 P CB -0.181 31.584 31.700 0.108 0.000 0.788 574 T N -3.836 110.772 114.554 0.091 0.000 3.107 574 T HA 0.129 4.479 4.350 0.000 0.000 0.249 574 T C 0.924 175.602 174.700 -0.035 0.000 1.096 574 T CA -0.242 61.810 62.100 -0.080 0.000 1.012 574 T CB -0.277 68.527 68.868 -0.108 0.000 0.977 574 T HN -0.074 nan 8.240 nan 0.000 0.527 575 R N 3.056 123.562 120.500 0.009 0.000 2.198 575 R HA 0.446 4.786 4.340 0.000 0.000 0.339 575 R C -2.690 173.628 176.300 0.029 0.000 1.020 575 R CA -2.083 54.029 56.100 0.020 0.000 0.864 575 R CB 0.895 31.211 30.300 0.027 0.000 1.105 575 R HN 0.368 nan 8.270 nan 0.000 0.463 576 P HA 0.241 nan 4.420 nan 0.000 0.307 576 P C -0.709 176.591 177.300 -0.000 0.000 1.307 576 P CA -0.967 62.147 63.100 0.023 0.000 0.814 576 P CB 1.064 32.788 31.700 0.040 0.000 1.311 577 L N 1.218 122.436 121.223 -0.009 0.000 2.433 577 L HA 0.319 4.659 4.340 0.000 0.000 0.275 577 L C 0.135 177.000 176.870 -0.009 0.000 1.128 577 L CA 0.993 55.816 54.840 -0.028 0.000 0.875 577 L CB -0.835 41.208 42.059 -0.027 0.000 1.171 577 L HN 0.577 nan 8.230 nan 0.000 0.463 578 T N 0.231 114.780 114.554 -0.010 0.000 2.858 578 T HA 0.401 4.752 4.350 0.000 0.000 0.285 578 T C 1.065 175.768 174.700 0.005 0.000 1.052 578 T CA -0.076 62.028 62.100 0.007 0.000 1.009 578 T CB 1.145 70.025 68.868 0.021 0.000 1.241 578 T HN 0.432 nan 8.240 nan 0.000 0.542 579 S N 0.966 116.674 115.700 0.013 0.000 2.387 579 S HA -0.131 4.339 4.470 0.000 0.000 0.230 579 S C 1.724 176.333 174.600 0.016 0.000 1.035 579 S CA 1.388 59.596 58.200 0.013 0.000 1.014 579 S CB -0.540 62.670 63.200 0.017 0.000 0.836 579 S HN 0.725 nan 8.310 nan 0.000 0.466 580 N N 0.263 118.977 118.700 0.024 0.000 2.373 580 N HA 0.090 4.830 4.740 0.000 0.000 0.181 580 N C 1.425 176.964 175.510 0.047 0.000 1.082 580 N CA 0.436 53.507 53.050 0.034 0.000 0.885 580 N CB -0.273 38.237 38.487 0.039 0.000 0.977 580 N HN 0.314 nan 8.380 nan 0.000 0.462 581 T N 2.398 116.969 114.554 0.028 0.000 2.597 581 T HA -0.126 4.224 4.350 0.000 0.000 0.267 581 T C 1.958 176.668 174.700 0.017 0.000 1.053 581 T CA 0.918 63.023 62.100 0.009 0.000 1.165 581 T CB -0.018 68.790 68.868 -0.099 0.000 0.863 581 T HN 0.104 nan 8.240 nan 0.000 0.427 582 I N 1.790 122.353 120.570 -0.011 0.000 2.142 582 I HA -0.140 4.030 4.170 0.000 0.000 0.240 582 I C 2.280 178.436 176.117 0.066 0.000 1.078 582 I CA 1.485 62.793 61.300 0.012 0.000 1.343 582 I CB -1.276 36.724 38.000 0.001 0.000 1.046 582 I HN 0.245 nan 8.210 nan 0.000 0.405 583 D N 0.488 120.922 120.400 0.056 0.000 2.123 583 D HA -0.230 4.410 4.640 0.000 0.000 0.196 583 D C 2.067 178.408 176.300 0.068 0.000 0.992 583 D CA 1.262 55.296 54.000 0.057 0.000 0.833 583 D CB -0.187 40.637 40.800 0.041 0.000 0.954 583 D HN 0.494 nan 8.370 nan 0.000 0.455 584 E N 0.098 120.351 120.200 0.089 0.000 2.051 584 E HA -0.220 4.130 4.350 0.000 0.000 0.192 584 E C 1.900 178.544 176.600 0.073 0.000 0.991 584 E CA 1.100 57.548 56.400 0.081 0.000 0.799 584 E CB -0.001 29.764 29.700 0.108 0.000 0.748 584 E HN 0.322 nan 8.360 nan 0.000 0.449 585 H N -0.065 118.998 119.070 -0.012 0.000 2.357 585 H HA -0.078 4.479 4.556 0.000 0.000 0.301 585 H C 1.857 177.172 175.328 -0.021 0.000 1.082 585 H CA 1.288 57.324 56.048 -0.021 0.000 1.342 585 H CB -0.185 29.559 29.762 -0.029 0.000 1.389 585 H HN 0.148 nan 8.280 nan 0.000 0.511 586 L N 0.542 121.833 121.223 0.113 0.000 2.012 586 L HA -0.183 4.157 4.340 0.000 0.000 0.210 586 L C 1.812 178.693 176.870 0.018 0.000 1.073 586 L CA 2.045 56.918 54.840 0.055 0.000 0.748 586 L CB -0.509 41.596 42.059 0.076 0.000 0.891 586 L HN 0.231 nan 8.230 nan 0.000 0.431 587 D N -1.787 118.623 120.400 0.017 0.000 2.183 587 D HA -0.221 4.419 4.640 0.000 0.000 0.203 587 D C 2.293 178.580 176.300 -0.020 0.000 0.969 587 D CA 0.958 54.956 54.000 -0.003 0.000 0.842 587 D CB 0.009 40.807 40.800 -0.003 0.000 0.957 587 D HN 0.350 nan 8.370 nan 0.000 0.484 588 M N -0.234 119.342 119.600 -0.039 0.000 2.086 588 M HA -0.148 4.332 4.480 0.000 0.000 0.261 588 M C 1.891 178.180 176.300 -0.019 0.000 1.067 588 M CA 1.148 56.407 55.300 -0.069 0.000 1.116 588 M CB -0.083 32.421 32.600 -0.161 0.000 1.348 588 M HN 0.209 nan 8.290 nan 0.000 0.407 589 L N 0.970 122.194 121.223 0.002 0.000 1.994 589 L HA -0.220 4.120 4.340 0.000 0.000 0.208 589 L C 2.247 179.195 176.870 0.130 0.000 1.071 589 L CA 2.037 56.916 54.840 0.064 0.000 0.745 589 L CB -0.527 41.513 42.059 -0.032 0.000 0.892 589 L HN 0.372 nan 8.230 nan 0.000 0.431 590 M N -1.457 118.176 119.600 0.055 0.000 2.159 590 M HA -0.105 4.375 4.480 0.000 0.000 0.263 590 M C 1.047 177.364 176.300 0.028 0.000 1.063 590 M CA 0.572 55.910 55.300 0.063 0.000 1.110 590 M CB -0.471 32.141 32.600 0.019 0.000 1.374 590 M HN 0.049 nan 8.290 nan 0.000 0.411 594 H N 0.035 119.147 119.070 0.071 0.000 2.626 594 H HA -0.165 4.391 4.556 0.000 0.000 0.317 594 H C -0.330 175.021 175.328 0.039 0.000 1.140 594 H CA 0.859 56.926 56.048 0.031 0.000 1.134 594 H CB -1.673 28.087 29.762 -0.004 0.000 1.486 594 H HN 0.359 nan 8.280 nan 0.000 0.417 595 L N -0.051 121.243 121.223 0.118 0.000 2.399 595 L HA 0.387 4.727 4.340 0.000 0.000 0.265 595 L C 0.788 177.688 176.870 0.051 0.000 1.089 595 L CA -0.560 54.332 54.840 0.087 0.000 0.802 595 L CB 0.882 43.004 42.059 0.104 0.000 1.180 595 L HN 0.237 nan 8.230 nan 0.000 0.454 596 D N 0.126 120.548 120.400 0.037 0.000 2.408 596 D HA 0.234 4.874 4.640 0.000 0.000 0.243 596 D C 0.759 177.065 176.300 0.011 0.000 1.075 596 D CA -0.523 53.490 54.000 0.023 0.000 0.832 596 D CB 1.523 42.337 40.800 0.023 0.000 1.162 596 D HN 0.395 nan 8.370 nan 0.000 0.515 597 R N 2.462 122.963 120.500 0.003 0.000 2.127 597 R HA -0.144 4.196 4.340 0.000 0.000 0.238 597 R C 0.978 177.279 176.300 0.001 0.000 1.134 597 R CA 1.076 57.172 56.100 -0.008 0.000 0.975 597 R CB 0.088 30.386 30.300 -0.003 0.000 0.865 597 R HN 0.346 nan 8.270 nan 0.000 0.447 598 E N 0.525 120.730 120.200 0.008 0.000 2.511 598 E HA 0.092 4.442 4.350 0.000 0.000 0.196 598 E C -0.077 176.531 176.600 0.013 0.000 1.066 598 E CA 0.433 56.840 56.400 0.011 0.000 0.871 598 E CB 0.232 29.939 29.700 0.012 0.000 0.863 598 E HN 0.289 nan 8.360 nan 0.000 0.520 599 I N 2.106 122.683 120.570 0.013 0.000 2.306 599 I HA 0.112 4.282 4.170 0.000 0.000 0.288 599 I C -1.447 174.681 176.117 0.019 0.000 1.036 599 I CA -1.942 59.367 61.300 0.016 0.000 1.221 599 I CB 1.489 39.499 38.000 0.017 0.000 1.385 599 I HN -0.084 nan 8.210 nan 0.000 0.472 600 P HA -0.235 nan 4.420 nan 0.000 0.218 600 P C 1.045 178.370 177.300 0.041 0.000 1.152 600 P CA 1.572 64.691 63.100 0.031 0.000 0.857 600 P CB 0.497 32.217 31.700 0.033 0.000 0.787 601 E N -0.164 120.061 120.200 0.041 0.000 2.051 601 E HA -0.157 4.193 4.350 0.000 0.000 0.192 601 E C 1.867 178.515 176.600 0.080 0.000 0.991 601 E CA 1.463 57.897 56.400 0.057 0.000 0.799 601 E CB -0.656 29.067 29.700 0.038 0.000 0.748 601 E HN 0.234 nan 8.360 nan 0.000 0.449 602 D N -0.152 120.283 120.400 0.059 0.000 2.117 602 D HA -0.147 4.493 4.640 0.000 0.000 0.197 602 D C 1.816 178.166 176.300 0.084 0.000 0.987 602 D CA 0.599 54.650 54.000 0.084 0.000 0.829 602 D CB -0.228 40.602 40.800 0.049 0.000 0.961 602 D HN 0.066 nan 8.370 nan 0.000 0.460 603 L N 0.586 121.808 121.223 -0.002 0.000 2.093 603 L HA -0.017 4.323 4.340 0.000 0.000 0.208 603 L C 2.076 178.856 176.870 -0.150 0.000 1.085 603 L CA 1.472 56.226 54.840 -0.143 0.000 0.755 603 L CB -0.697 41.285 42.059 -0.127 0.000 0.904 603 L HN -0.013 nan 8.230 nan 0.000 0.435 604 A N -0.829 122.004 122.820 0.022 0.000 1.877 604 A HA -0.276 4.044 4.320 0.000 0.000 0.216 604 A C 2.257 179.907 177.584 0.110 0.000 1.186 604 A CA 1.876 53.972 52.037 0.097 0.000 0.620 604 A CB -1.174 17.896 19.000 0.117 0.000 0.822 604 A HN 0.542 nan 8.150 nan 0.000 0.443 605 F N 1.218 121.167 119.950 -0.002 0.000 2.069 605 F HA -0.103 4.424 4.527 0.000 0.000 0.298 605 F C 2.499 178.284 175.800 -0.026 0.000 1.113 605 F CA 1.377 59.373 58.000 -0.006 0.000 1.214 605 F CB -0.744 38.237 39.000 -0.031 0.000 0.978 605 F HN 0.249 nan 8.300 nan 0.000 0.474 606 A N -0.274 122.373 122.820 -0.287 0.000 1.892 606 A HA -0.276 4.044 4.320 0.000 0.000 0.218 606 A C 2.064 179.508 177.584 -0.234 0.000 1.188 606 A CA 2.153 53.962 52.037 -0.379 0.000 0.631 606 A CB -1.640 17.233 19.000 -0.211 0.000 0.822 606 A HN 0.727 nan 8.150 nan 0.000 0.447 607 H N -0.370 118.640 119.070 -0.100 0.000 2.457 607 H HA -0.062 4.494 4.556 0.000 0.000 0.294 607 H C 2.551 177.891 175.328 0.020 0.000 1.064 607 H CA 1.003 57.038 56.048 -0.022 0.000 1.330 607 H CB 0.143 29.920 29.762 0.024 0.000 1.395 607 H HN 0.716 nan 8.280 nan 0.000 0.541 608 S N 0.363 116.102 115.700 0.065 0.000 2.461 608 S HA -0.092 4.378 4.470 0.000 0.000 0.228 608 S C 1.972 176.461 174.600 -0.186 0.000 1.005 608 S CA 0.600 58.819 58.200 0.031 0.000 0.942 608 S CB 0.197 63.417 63.200 0.034 0.000 0.776 608 S HN 0.354 nan 8.310 nan 0.000 0.514 609 R N -0.053 120.269 120.500 -0.297 0.000 2.195 609 R HA 0.323 4.663 4.340 0.000 0.000 0.197 609 R C -0.261 175.920 176.300 -0.198 0.000 0.990 609 R CA 0.190 56.099 56.100 -0.318 0.000 1.048 609 R CB 0.271 30.253 30.300 -0.529 0.000 0.997 609 R HN 0.307 nan 8.270 nan 0.000 0.502 610 I N 3.252 123.744 120.570 -0.130 0.000 2.307 610 I HA 0.274 4.444 4.170 0.000 0.000 0.287 610 I C -0.771 175.343 176.117 -0.006 0.000 1.054 610 I CA -0.235 61.035 61.300 -0.050 0.000 1.218 610 I CB 1.061 39.063 38.000 0.004 0.000 1.398 610 I HN 0.128 nan 8.210 nan 0.000 0.475 611 R N 4.563 125.043 120.500 -0.033 0.000 2.439 611 R HA 0.313 4.653 4.340 0.000 0.000 0.310 611 R C 0.976 177.274 176.300 -0.003 0.000 0.955 611 R CA -0.721 55.392 56.100 0.021 0.000 0.853 611 R CB 2.448 32.739 30.300 -0.015 0.000 1.171 611 R HN 0.401 nan 8.270 nan 0.000 0.449 612 K N 2.696 123.102 120.400 0.011 0.000 2.103 612 K HA -0.161 4.159 4.320 0.000 0.000 0.207 612 K C 0.939 177.538 176.600 -0.002 0.000 1.048 612 K CA 1.537 57.817 56.287 -0.012 0.000 0.930 612 K CB 0.247 32.740 32.500 -0.010 0.000 0.716 612 K HN 0.380 nan 8.250 nan 0.000 0.444 613 K N -0.220 120.199 120.400 0.030 0.000 2.057 613 K HA -0.111 4.209 4.320 0.000 0.000 0.207 613 K C 2.174 178.781 176.600 0.012 0.000 1.049 613 K CA 1.945 58.253 56.287 0.034 0.000 0.931 613 K CB -0.146 32.403 32.500 0.081 0.000 0.714 613 K HN 0.434 nan 8.250 nan 0.000 0.440 614 T N -0.755 113.795 114.554 -0.006 0.000 2.985 614 T HA 0.022 4.372 4.350 0.000 0.000 0.266 614 T C 1.950 176.632 174.700 -0.031 0.000 1.076 614 T CA 0.533 62.616 62.100 -0.029 0.000 1.135 614 T CB -0.224 68.604 68.868 -0.067 0.000 0.890 614 T HN 0.060 nan 8.240 nan 0.000 0.480 615 I N 1.658 122.202 120.570 -0.043 0.000 2.353 615 I HA -0.000 4.170 4.170 0.000 0.000 0.248 615 I C 3.170 179.268 176.117 -0.032 0.000 1.119 615 I CA 0.989 62.256 61.300 -0.055 0.000 1.417 615 I CB -0.516 37.425 38.000 -0.098 0.000 1.078 615 I HN 0.324 nan 8.210 nan 0.000 0.421 616 A N 0.885 123.693 122.820 -0.021 0.000 1.902 616 A HA -0.148 4.172 4.320 0.000 0.000 0.217 616 A C 2.548 180.133 177.584 0.002 0.000 1.181 616 A CA 1.778 53.811 52.037 -0.007 0.000 0.623 616 A CB -0.778 18.221 19.000 -0.002 0.000 0.818 616 A HN 0.414 nan 8.150 nan 0.000 0.443 617 A N -0.329 122.491 122.820 -0.000 0.000 1.933 617 A HA -0.197 4.123 4.320 0.000 0.000 0.218 617 A C 2.008 179.594 177.584 0.004 0.000 1.175 617 A CA 1.808 53.847 52.037 0.004 0.000 0.628 617 A CB -0.544 18.457 19.000 0.001 0.000 0.814 617 A HN 0.690 nan 8.150 nan 0.000 0.444 618 E N -0.246 119.953 120.200 -0.002 0.000 2.153 618 E HA -0.246 4.104 4.350 0.000 0.000 0.194 618 E C 1.186 177.791 176.600 0.009 0.000 0.988 618 E CA 1.316 57.716 56.400 -0.000 0.000 0.811 618 E CB -0.124 29.573 29.700 -0.005 0.000 0.746 618 E HN 0.537 nan 8.360 nan 0.000 0.466 619 D N -0.076 120.335 120.400 0.018 0.000 2.084 619 D HA -0.150 4.490 4.640 0.000 0.000 0.194 619 D C 2.043 178.375 176.300 0.054 0.000 0.990 619 D CA 1.359 55.384 54.000 0.043 0.000 0.826 619 D CB -0.240 40.584 40.800 0.040 0.000 0.971 619 D HN 0.105 nan 8.370 nan 0.000 0.453 620 V N 1.027 120.964 119.914 0.039 0.000 2.295 620 V HA -0.195 3.925 4.120 0.000 0.000 0.246 620 V C 2.668 178.778 176.094 0.027 0.000 1.049 620 V CA 1.074 63.398 62.300 0.041 0.000 1.024 620 V CB -0.518 31.323 31.823 0.030 0.000 0.648 620 V HN 0.206 nan 8.190 nan 0.000 0.447 621 L N 0.125 121.354 121.223 0.009 0.000 2.079 621 L HA -0.183 4.157 4.340 0.000 0.000 0.210 621 L C 2.519 179.366 176.870 -0.038 0.000 1.081 621 L CA 1.500 56.335 54.840 -0.008 0.000 0.752 621 L CB -0.722 41.332 42.059 -0.009 0.000 0.896 621 L HN 0.419 nan 8.230 nan 0.000 0.433 622 N N -0.025 118.646 118.700 -0.049 0.000 2.142 622 N HA -0.202 4.538 4.740 0.000 0.000 0.186 622 N C 1.490 176.878 175.510 -0.204 0.000 1.023 622 N CA 1.524 54.488 53.050 -0.144 0.000 0.852 622 N CB -0.073 38.345 38.487 -0.116 0.000 0.998 622 N HN 0.299 nan 8.380 nan 0.000 0.424 623 D N 1.012 121.404 120.400 -0.013 0.000 2.144 623 D HA -0.084 4.556 4.640 0.000 0.000 0.199 623 D C 1.866 178.206 176.300 0.067 0.000 0.984 623 D CA 0.708 54.777 54.000 0.115 0.000 0.834 623 D CB -0.021 40.895 40.800 0.192 0.000 0.955 623 D HN 0.470 nan 8.370 nan 0.000 0.465 624 I N -4.109 116.481 120.570 0.033 0.000 3.684 624 I HA 0.354 4.524 4.170 0.000 0.000 0.304 624 I C 1.192 177.317 176.117 0.014 0.000 1.278 624 I CA 0.473 61.801 61.300 0.046 0.000 1.272 624 I CB -0.096 37.927 38.000 0.038 0.000 1.029 624 I HN 0.081 nan 8.210 nan 0.000 0.458 625 G N 1.533 110.300 108.800 -0.055 0.000 2.149 625 G HA2 -0.276 3.684 3.960 0.000 0.000 0.235 625 G HA3 -0.276 3.684 3.960 0.000 0.000 0.235 625 G C 0.797 175.657 174.900 -0.067 0.000 1.018 625 G CA 0.260 45.309 45.100 -0.085 0.000 0.728 625 G HN 0.736 nan 8.290 nan 0.000 0.508 626 A N -0.913 121.874 122.820 -0.055 0.000 2.178 626 A HA 0.662 4.982 4.320 0.000 0.000 0.211 626 A C 0.982 178.537 177.584 -0.048 0.000 1.157 626 A CA 0.790 52.804 52.037 -0.039 0.000 0.780 626 A CB 0.238 19.227 19.000 -0.020 0.000 0.828 626 A HN 0.720 nan 8.150 nan 0.000 0.476 627 I N 0.076 120.601 120.570 -0.074 0.000 2.418 627 I HA 0.192 4.362 4.170 0.000 0.000 0.287 627 I C 0.380 176.424 176.117 -0.121 0.000 1.008 627 I CA -0.323 60.934 61.300 -0.072 0.000 1.104 627 I CB 2.276 40.241 38.000 -0.057 0.000 1.264 627 I HN 0.027 nan 8.210 nan 0.000 0.438 628 S N 5.795 121.426 115.700 -0.114 0.000 2.517 628 S HA 0.394 4.864 4.470 0.000 0.000 0.214 628 S C 0.417 174.920 174.600 -0.161 0.000 0.991 628 S CA 0.228 58.335 58.200 -0.156 0.000 0.906 628 S CB 0.194 63.298 63.200 -0.160 0.000 0.789 628 S HN 0.431 nan 8.310 nan 0.000 0.513 629 I N 0.958 121.464 120.570 -0.106 0.000 2.802 629 I HA 0.469 4.639 4.170 0.000 0.000 0.298 629 I C -1.325 174.787 176.117 -0.009 0.000 1.176 629 I CA -0.751 60.510 61.300 -0.064 0.000 1.025 629 I CB 2.475 40.448 38.000 -0.044 0.000 1.243 629 I HN -0.027 nan 8.210 nan 0.000 0.424 630 I N 3.615 124.192 120.570 0.013 0.000 2.465 630 I HA 0.468 4.638 4.170 0.000 0.000 0.291 630 I C -0.292 175.855 176.117 0.050 0.000 1.014 630 I CA -0.151 61.166 61.300 0.028 0.000 1.093 630 I CB 2.104 40.114 38.000 0.017 0.000 1.267 630 I HN 0.690 nan 8.210 nan 0.000 0.431 631 S N 2.407 118.125 115.700 0.030 0.000 2.732 631 S HA 0.485 4.955 4.470 0.000 0.000 0.293 631 S C 0.428 174.994 174.600 -0.058 0.000 1.159 631 S CA -0.060 58.147 58.200 0.010 0.000 0.847 631 S CB 1.713 64.943 63.200 0.050 0.000 1.169 631 S HN 0.632 nan 8.310 nan 0.000 0.501 632 S N -0.015 115.632 115.700 -0.089 0.000 2.370 632 S HA 0.156 4.626 4.470 0.000 0.000 0.214 632 S C 0.428 174.897 174.600 -0.218 0.000 1.033 632 S CA 1.167 59.293 58.200 -0.124 0.000 0.941 632 S CB -0.842 62.300 63.200 -0.096 0.000 0.886 632 S HN 1.071 nan 8.310 nan 0.000 0.521 633 D N 1.562 121.778 120.400 -0.305 0.000 2.846 633 D HA -0.135 4.505 4.640 0.000 0.000 0.231 633 D C -0.275 175.940 176.300 -0.141 0.000 1.102 633 D CA 0.795 54.544 54.000 -0.418 0.000 0.744 633 D CB -1.964 38.489 40.800 -0.577 0.000 1.092 633 D HN 0.718 nan 8.370 nan 0.000 0.437 634 S N 0.501 116.163 115.700 -0.063 0.000 3.074 634 S HA -0.051 4.419 4.470 0.000 0.000 0.359 634 S C 1.056 175.610 174.600 -0.076 0.000 1.207 634 S CA 1.197 59.362 58.200 -0.059 0.000 1.061 634 S CB 0.882 64.057 63.200 -0.041 0.000 0.769 634 S HN 0.441 nan 8.310 nan 0.000 0.512 635 Q N 0.206 119.945 119.800 -0.101 0.000 2.439 635 Q HA -0.284 4.056 4.340 0.000 0.000 0.247 635 Q C 0.309 176.198 176.000 -0.185 0.000 0.899 635 Q CA 1.143 56.878 55.803 -0.112 0.000 1.201 635 Q CB -1.953 26.745 28.738 -0.066 0.000 1.608 635 Q HN 1.258 nan 8.270 nan 0.000 0.563 636 A N 0.197 122.856 122.820 -0.269 0.000 3.365 636 A HA 0.572 4.892 4.320 0.000 0.000 0.258 636 A C 0.434 177.874 177.584 -0.239 0.000 0.964 636 A CA 0.078 51.890 52.037 -0.374 0.000 0.988 636 A CB 0.460 18.874 19.000 -0.976 0.000 1.193 636 A HN 0.343 nan 8.150 nan 0.000 0.508 637 M N -1.062 118.433 119.600 -0.175 0.000 2.492 637 M HA -0.163 4.317 4.480 0.000 0.000 0.208 637 M C 0.259 176.468 176.300 -0.152 0.000 0.467 637 M CA 1.076 56.283 55.300 -0.154 0.000 0.554 637 M CB -1.360 31.171 32.600 -0.116 0.000 1.977 637 M HN 1.194 nan 8.290 nan 0.000 0.846 638 G N 0.549 109.260 108.800 -0.148 0.000 2.616 638 G HA2 0.664 4.624 3.960 0.000 0.000 0.294 638 G HA3 0.664 4.624 3.960 0.000 0.000 0.294 638 G C -1.356 173.479 174.900 -0.108 0.000 1.489 638 G CA -1.124 43.898 45.100 -0.130 0.000 0.836 638 G HN 0.266 nan 8.290 nan 0.000 0.527 639 R N 1.693 122.139 120.500 -0.089 0.000 2.337 639 R HA 0.394 4.735 4.340 0.000 0.000 0.319 639 R C 0.884 177.139 176.300 -0.075 0.000 0.954 639 R CA -0.752 55.301 56.100 -0.079 0.000 0.840 639 R CB 2.140 32.395 30.300 -0.075 0.000 1.164 639 R HN 0.324 nan 8.270 nan 0.000 0.472 640 V N 2.910 122.782 119.914 -0.070 0.000 2.469 640 V HA -0.146 3.974 4.120 0.000 0.000 0.251 640 V C 1.563 177.617 176.094 -0.067 0.000 1.064 640 V CA 2.538 64.796 62.300 -0.070 0.000 1.066 640 V CB -0.114 31.671 31.823 -0.064 0.000 0.667 640 V HN 1.005 nan 8.190 nan 0.000 0.461 641 G N -1.329 107.437 108.800 -0.056 0.000 3.181 641 G HA2 0.059 4.019 3.960 0.000 0.000 0.219 641 G HA3 0.059 4.019 3.960 0.000 0.000 0.219 641 G C 0.821 175.704 174.900 -0.029 0.000 1.182 641 G CA 0.153 45.230 45.100 -0.038 0.000 0.791 641 G HN 0.618 nan 8.290 nan 0.000 0.537 642 E N -0.238 119.932 120.200 -0.050 0.000 2.812 642 E HA 0.157 4.507 4.350 0.000 0.000 0.211 642 E C 1.451 178.013 176.600 -0.063 0.000 0.986 642 E CA -0.251 56.123 56.400 -0.043 0.000 1.119 642 E CB 1.133 30.802 29.700 -0.051 0.000 1.046 642 E HN 0.171 nan 8.360 nan 0.000 0.474 643 V N 0.668 120.524 119.914 -0.097 0.000 2.358 643 V HA -0.239 3.881 4.120 0.000 0.000 0.246 643 V C 2.055 178.011 176.094 -0.230 0.000 1.047 643 V CA 1.570 63.791 62.300 -0.131 0.000 1.035 643 V CB -0.206 31.536 31.823 -0.135 0.000 0.658 643 V HN 0.368 nan 8.190 nan 0.000 0.452 644 I N 0.782 121.162 120.570 -0.317 0.000 2.193 644 I HA -0.180 3.990 4.170 0.000 0.000 0.240 644 I C 2.746 178.805 176.117 -0.098 0.000 1.084 644 I CA 1.648 62.680 61.300 -0.447 0.000 1.365 644 I CB -0.552 37.237 38.000 -0.351 0.000 1.064 644 I HN 0.450 nan 8.210 nan 0.000 0.410 645 S N 1.195 116.904 115.700 0.015 0.000 2.370 645 S HA -0.165 4.305 4.470 0.000 0.000 0.226 645 S C 2.161 176.816 174.600 0.091 0.000 1.033 645 S CA 0.769 59.038 58.200 0.115 0.000 1.011 645 S CB -0.453 62.822 63.200 0.126 0.000 0.852 645 S HN 0.309 nan 8.310 nan 0.000 0.457 646 R N 1.077 121.589 120.500 0.020 0.000 2.096 646 R HA -0.004 4.336 4.340 0.000 0.000 0.235 646 R C 2.488 178.790 176.300 0.003 0.000 1.127 646 R CA 1.638 57.749 56.100 0.019 0.000 0.968 646 R CB -1.610 28.689 30.300 -0.001 0.000 0.861 646 R HN 0.532 nan 8.270 nan 0.000 0.440 647 T N -0.029 114.479 114.554 -0.077 0.000 2.708 647 T HA -0.165 4.185 4.350 0.000 0.000 0.266 647 T C 1.608 176.174 174.700 -0.222 0.000 1.037 647 T CA 1.468 63.483 62.100 -0.141 0.000 1.146 647 T CB -0.277 68.440 68.868 -0.252 0.000 0.865 647 T HN 0.452 nan 8.240 nan 0.000 0.435 648 W N 1.579 122.946 121.300 0.112 0.000 2.402 648 W HA -0.007 4.653 4.660 0.000 0.000 0.286 648 W C 2.618 179.124 176.519 -0.022 0.000 1.221 648 W CA 0.109 57.468 57.345 0.024 0.000 1.257 648 W CB -0.272 29.217 29.460 0.048 0.000 1.120 648 W HN 0.324 nan 8.180 nan 0.000 0.551 649 Q N -0.493 119.412 119.800 0.176 0.000 2.230 649 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 649 Q C 1.988 178.027 176.000 0.065 0.000 0.963 649 Q CA 1.748 57.621 55.803 0.118 0.000 0.866 649 Q CB -0.404 28.396 28.738 0.105 0.000 0.931 649 Q HN 0.197 nan 8.270 nan 0.000 0.452 650 T N 0.711 115.296 114.554 0.052 0.000 2.770 650 T HA -0.098 4.252 4.350 0.000 0.000 0.263 650 T C 1.943 176.627 174.700 -0.027 0.000 1.039 650 T CA 1.146 63.288 62.100 0.071 0.000 1.142 650 T CB -0.247 68.734 68.868 0.187 0.000 0.868 650 T HN 0.376 nan 8.240 nan 0.000 0.435 651 A N 1.791 124.417 122.820 -0.324 0.000 1.902 651 A HA -0.182 4.138 4.320 0.000 0.000 0.217 651 A C 2.202 179.668 177.584 -0.196 0.000 1.181 651 A CA 1.908 53.538 52.037 -0.678 0.000 0.623 651 A CB -0.767 17.588 19.000 -1.074 0.000 0.818 651 A HN 0.586 nan 8.150 nan 0.000 0.443 652 D N -0.315 120.052 120.400 -0.055 0.000 2.097 652 D HA -0.216 4.424 4.640 0.000 0.000 0.195 652 D C 1.973 178.279 176.300 0.010 0.000 0.989 652 D CA 1.692 55.697 54.000 0.008 0.000 0.827 652 D CB -0.188 40.646 40.800 0.056 0.000 0.966 652 D HN 0.516 nan 8.370 nan 0.000 0.456 653 K N -0.440 119.971 120.400 0.019 0.000 2.057 653 K HA -0.147 4.173 4.320 0.000 0.000 0.207 653 K C 2.321 178.938 176.600 0.029 0.000 1.049 653 K CA 0.998 57.302 56.287 0.028 0.000 0.931 653 K CB -0.013 32.508 32.500 0.037 0.000 0.714 653 K HN 0.096 nan 8.250 nan 0.000 0.440 654 M N 1.233 120.852 119.600 0.031 0.000 2.159 654 M HA -0.136 4.344 4.480 0.000 0.000 0.263 654 M C 2.111 178.435 176.300 0.041 0.000 1.063 654 M CA 1.504 56.835 55.300 0.051 0.000 1.110 654 M CB -0.774 31.883 32.600 0.095 0.000 1.374 654 M HN 0.184 nan 8.290 nan 0.000 0.411 655 K N 0.298 120.711 120.400 0.022 0.000 2.057 655 K HA -0.060 4.260 4.320 0.000 0.000 0.206 655 K C 1.962 178.576 176.600 0.024 0.000 1.050 655 K CA 1.388 57.690 56.287 0.025 0.000 0.935 655 K CB 0.002 32.510 32.500 0.013 0.000 0.715 655 K HN 0.202 nan 8.250 nan 0.000 0.439 656 A N 1.052 123.884 122.820 0.020 0.000 1.972 656 A HA -0.188 4.132 4.320 0.000 0.000 0.219 656 A C 1.860 179.456 177.584 0.021 0.000 1.169 656 A CA 1.482 53.531 52.037 0.019 0.000 0.635 656 A CB -0.309 18.703 19.000 0.020 0.000 0.810 656 A HN 0.506 nan 8.150 nan 0.000 0.446 657 Q N -1.652 118.163 119.800 0.025 0.000 2.391 657 Q HA -0.001 4.339 4.340 0.000 0.000 0.211 657 Q C 1.668 177.683 176.000 0.026 0.000 0.908 657 Q CA 1.327 57.145 55.803 0.024 0.000 0.920 657 Q CB 0.243 28.997 28.738 0.025 0.000 1.056 657 Q HN 0.810 nan 8.270 nan 0.000 0.523 658 T N -3.745 110.828 114.554 0.032 0.000 3.004 658 T HA 0.443 4.793 4.350 0.000 0.000 0.266 658 T C 0.899 175.619 174.700 0.034 0.000 0.986 658 T CA 0.307 62.428 62.100 0.034 0.000 0.902 658 T CB 0.870 69.764 68.868 0.044 0.000 1.118 658 T HN 0.361 nan 8.240 nan 0.000 0.522 659 G N 2.280 111.100 108.800 0.033 0.000 2.632 659 G HA2 -0.051 3.909 3.960 0.000 0.000 0.224 659 G HA3 -0.051 3.909 3.960 0.000 0.000 0.224 659 G C -2.832 172.094 174.900 0.043 0.000 1.341 659 G CA -0.660 44.459 45.100 0.031 0.000 0.880 659 G HN 0.510 nan 8.290 nan 0.000 0.566 660 P HA 0.406 nan 4.420 nan 0.000 0.269 660 P C 0.553 177.894 177.300 0.067 0.000 1.215 660 P CA -0.299 62.834 63.100 0.055 0.000 0.780 660 P CB 0.357 32.080 31.700 0.039 0.000 0.898 661 L N 1.313 122.598 121.223 0.104 0.000 2.472 661 L HA 0.190 4.530 4.340 0.000 0.000 0.260 661 L C 2.185 179.080 176.870 0.042 0.000 1.209 661 L CA -0.095 54.814 54.840 0.115 0.000 0.817 661 L CB 0.032 42.234 42.059 0.238 0.000 1.106 661 L HN 0.402 nan 8.230 nan 0.000 0.479 662 K N 0.420 120.826 120.400 0.009 0.000 2.044 662 K HA -0.181 4.139 4.320 0.000 0.000 0.210 662 K C 1.577 178.103 176.600 -0.123 0.000 1.049 662 K CA 2.276 58.536 56.287 -0.045 0.000 0.927 662 K CB -1.558 30.914 32.500 -0.046 0.000 0.713 662 K HN 0.820 nan 8.250 nan 0.000 0.443 663 C N 1.298 120.442 119.300 -0.259 0.000 2.576 663 C HA 0.163 4.623 4.460 0.000 0.000 0.267 663 C C 0.395 175.163 174.990 -0.369 0.000 1.364 663 C CA -0.981 57.721 59.018 -0.527 0.000 1.723 663 C CB -1.086 25.865 27.740 -1.315 0.000 1.778 663 C HN 0.528 nan 8.230 nan 0.000 0.572 664 D N 0.855 121.199 120.400 -0.093 0.000 2.313 664 D HA 0.182 4.822 4.640 0.000 0.000 0.247 664 D C 0.279 176.585 176.300 0.010 0.000 1.094 664 D CA 0.498 54.530 54.000 0.054 0.000 0.925 664 D CB 1.337 42.207 40.800 0.116 0.000 1.188 664 D HN 0.276 nan 8.370 nan 0.000 0.430 665 S N -0.338 115.382 115.700 0.033 0.000 2.669 665 S HA 0.169 4.639 4.470 0.000 0.000 0.270 665 S C 1.006 175.617 174.600 0.019 0.000 1.225 665 S CA -0.253 57.956 58.200 0.014 0.000 0.991 665 S CB 0.982 64.194 63.200 0.019 0.000 0.987 665 S HN 0.366 nan 8.310 nan 0.000 0.552 666 S N 0.349 116.055 115.700 0.010 0.000 2.577 666 S HA 0.230 4.700 4.470 0.000 0.000 0.219 666 S C 0.188 174.793 174.600 0.008 0.000 0.962 666 S CA -0.293 57.914 58.200 0.010 0.000 0.921 666 S CB -0.091 63.112 63.200 0.005 0.000 0.789 666 S HN 0.719 nan 8.310 nan 0.000 0.497 667 D N 2.273 122.678 120.400 0.008 0.000 2.367 667 D HA 0.155 4.795 4.640 0.000 0.000 0.207 667 D C 0.579 176.881 176.300 0.004 0.000 1.034 667 D CA 0.270 54.273 54.000 0.004 0.000 0.861 667 D CB 0.206 41.007 40.800 0.002 0.000 0.943 667 D HN 0.766 nan 8.370 nan 0.000 0.515 668 N N -0.574 118.133 118.700 0.012 0.000 3.020 668 N HA 0.102 4.842 4.740 0.000 0.000 0.248 668 N C -1.238 174.291 175.510 0.032 0.000 1.480 668 N CA -0.495 52.562 53.050 0.011 0.000 0.874 668 N CB 1.412 39.904 38.487 0.008 0.000 1.433 668 N HN -0.364 nan 8.380 nan 0.000 0.530 669 D N -0.176 120.240 120.400 0.028 0.000 2.559 669 D HA 0.127 4.767 4.640 0.000 0.000 0.234 669 D C 0.270 176.619 176.300 0.083 0.000 1.226 669 D CA -0.215 53.820 54.000 0.059 0.000 0.830 669 D CB -0.055 40.764 40.800 0.032 0.000 1.028 669 D HN 0.382 nan 8.370 nan 0.000 0.492 670 N N 0.691 119.439 118.700 0.079 0.000 2.060 670 N HA -0.191 4.549 4.740 0.000 0.000 0.195 670 N C 1.369 176.961 175.510 0.137 0.000 1.028 670 N CA 0.872 53.973 53.050 0.086 0.000 0.861 670 N CB -0.348 38.187 38.487 0.079 0.000 1.029 670 N HN 0.256 nan 8.380 nan 0.000 0.428 671 F N 1.373 121.360 119.950 0.062 0.000 2.113 671 F HA -0.071 4.456 4.527 0.000 0.000 0.297 671 F C 2.560 178.438 175.800 0.129 0.000 1.103 671 F CA 1.229 59.278 58.000 0.082 0.000 1.248 671 F CB -0.096 38.942 39.000 0.064 0.000 0.999 671 F HN -0.080 nan 8.300 nan 0.000 0.475 672 R N 0.686 121.307 120.500 0.203 0.000 2.091 672 R HA -0.178 4.162 4.340 0.000 0.000 0.238 672 R C 2.261 178.689 176.300 0.214 0.000 1.136 672 R CA 2.151 58.371 56.100 0.200 0.000 0.959 672 R CB -0.557 29.865 30.300 0.203 0.000 0.856 672 R HN 0.423 nan 8.270 nan 0.000 0.437 673 I N 0.410 121.093 120.570 0.188 0.000 2.208 673 I HA -0.296 3.874 4.170 0.000 0.000 0.245 673 I C 2.560 178.838 176.117 0.269 0.000 1.097 673 I CA 1.440 62.928 61.300 0.313 0.000 1.363 673 I CB -0.275 37.803 38.000 0.130 0.000 1.051 673 I HN 0.231 nan 8.210 nan 0.000 0.413 674 R N 0.261 120.804 120.500 0.071 0.000 2.075 674 R HA -0.164 4.176 4.340 0.000 0.000 0.232 674 R C 2.433 178.694 176.300 -0.065 0.000 1.126 674 R CA 1.244 57.351 56.100 0.012 0.000 0.963 674 R CB -0.394 29.869 30.300 -0.061 0.000 0.858 674 R HN 0.357 nan 8.270 nan 0.000 0.435 675 R N 0.100 120.471 120.500 -0.215 0.000 2.081 675 R HA -0.184 4.157 4.340 0.000 0.000 0.235 675 R C 1.652 177.833 176.300 -0.199 0.000 1.131 675 R CA 1.638 57.580 56.100 -0.263 0.000 0.960 675 R CB -0.300 29.802 30.300 -0.330 0.000 0.856 675 R HN 0.191 nan 8.270 nan 0.000 0.436 676 Y N 0.363 120.538 120.300 -0.207 0.000 2.220 676 Y HA -0.074 4.476 4.550 0.000 0.000 0.291 676 Y C 2.165 177.773 175.900 -0.486 0.000 1.129 676 Y CA 1.290 59.185 58.100 -0.341 0.000 1.161 676 Y CB -0.141 38.042 38.460 -0.462 0.000 0.997 676 Y HN 0.091 nan 8.280 nan 0.000 0.522 677 I N -0.465 119.990 120.570 -0.192 0.000 2.493 677 I HA -0.255 3.915 4.170 0.000 0.000 0.254 677 I C 2.241 178.070 176.117 -0.481 0.000 1.160 677 I CA 1.090 62.143 61.300 -0.411 0.000 1.445 677 I CB -0.109 37.941 38.000 0.084 0.000 1.086 677 I HN 0.189 nan 8.210 nan 0.000 0.433 678 A N 0.455 123.119 122.820 -0.259 0.000 2.067 678 A HA -0.195 4.125 4.320 0.000 0.000 0.219 678 A C 2.180 179.586 177.584 -0.297 0.000 1.158 678 A CA 1.287 53.162 52.037 -0.271 0.000 0.661 678 A CB -0.403 18.433 19.000 -0.274 0.000 0.801 678 A HN 0.418 nan 8.150 nan 0.000 0.452 679 K N -1.271 118.943 120.400 -0.309 0.000 2.211 679 K HA -0.123 4.197 4.320 0.000 0.000 0.203 679 K C 1.037 177.591 176.600 -0.078 0.000 1.050 679 K CA 1.616 57.775 56.287 -0.213 0.000 0.945 679 K CB -0.205 32.162 32.500 -0.221 0.000 0.732 679 K HN 0.897 nan 8.250 nan 0.000 0.451 680 Y N -1.439 118.816 120.300 -0.075 0.000 2.641 680 Y HA 0.290 4.840 4.550 0.000 0.000 0.248 680 Y C 1.083 177.000 175.900 0.029 0.000 1.170 680 Y CA -0.278 57.808 58.100 -0.023 0.000 1.201 680 Y CB -0.375 38.073 38.460 -0.020 0.000 1.232 680 Y HN -0.061 nan 8.280 nan 0.000 0.537 681 T N -2.857 111.686 114.554 -0.018 0.000 3.409 681 T HA 0.134 4.484 4.350 0.000 0.000 0.188 681 T C 1.338 176.038 174.700 0.001 0.000 0.929 681 T CA 0.654 62.788 62.100 0.058 0.000 1.184 681 T CB -0.772 68.120 68.868 0.039 0.000 1.570 681 T HN 0.076 nan 8.240 nan 0.000 0.367 682 I N 2.983 123.492 120.570 -0.102 0.000 2.202 682 I HA 0.001 4.171 4.170 0.000 0.000 0.242 682 I C 2.081 178.055 176.117 -0.239 0.000 1.091 682 I CA 1.435 62.620 61.300 -0.191 0.000 1.368 682 I CB -0.951 36.761 38.000 -0.481 0.000 1.058 682 I HN 0.422 nan 8.210 nan 0.000 0.410 683 N N 0.302 118.838 118.700 -0.273 0.000 2.104 683 N HA -0.162 4.579 4.740 0.000 0.000 0.190 683 N C -0.947 174.420 175.510 -0.238 0.000 1.024 683 N CA 1.490 54.384 53.050 -0.260 0.000 0.853 683 N CB -0.965 37.374 38.487 -0.248 0.000 1.008 683 N HN 0.343 nan 8.380 nan 0.000 0.424 684 P HA -0.100 nan 4.420 nan 0.000 0.217 684 P C 0.865 177.992 177.300 -0.289 0.000 1.150 684 P CA 1.189 64.205 63.100 -0.141 0.000 0.832 684 P CB 0.044 31.748 31.700 0.006 0.000 0.787 685 A N -0.996 121.655 122.820 -0.282 0.000 1.929 685 A HA -0.114 4.206 4.320 0.000 0.000 0.216 685 A C 2.164 179.369 177.584 -0.631 0.000 1.176 685 A CA 1.143 52.835 52.037 -0.574 0.000 0.628 685 A CB -1.455 17.486 19.000 -0.097 0.000 0.816 685 A HN 0.095 nan 8.150 nan 0.000 0.444 686 I N -0.277 120.066 120.570 -0.378 0.000 2.202 686 I HA -0.233 3.937 4.170 0.000 0.000 0.242 686 I C 2.957 178.873 176.117 -0.334 0.000 1.091 686 I CA 0.993 62.106 61.300 -0.311 0.000 1.368 686 I CB -0.333 37.521 38.000 -0.242 0.000 1.058 686 I HN 0.342 nan 8.210 nan 0.000 0.410 687 A N 0.684 123.293 122.820 -0.351 0.000 1.933 687 A HA -0.185 4.135 4.320 0.000 0.000 0.218 687 A C 1.941 179.337 177.584 -0.314 0.000 1.175 687 A CA 1.718 53.557 52.037 -0.331 0.000 0.628 687 A CB -0.537 18.216 19.000 -0.411 0.000 0.814 687 A HN 0.454 nan 8.150 nan 0.000 0.444 688 N N -1.153 117.274 118.700 -0.455 0.000 2.336 688 N HA 0.137 4.877 4.740 0.000 0.000 0.189 688 N C 0.914 176.142 175.510 -0.471 0.000 1.113 688 N CA 0.896 53.680 53.050 -0.443 0.000 0.858 688 N CB 0.502 38.696 38.487 -0.489 0.000 0.970 688 N HN 0.623 nan 8.380 nan 0.000 0.471 689 G N 1.660 110.165 108.800 -0.491 0.000 2.149 689 G HA2 -0.247 3.713 3.960 0.000 0.000 0.235 689 G HA3 -0.247 3.713 3.960 0.000 0.000 0.235 689 G C 0.009 174.806 174.900 -0.172 0.000 1.018 689 G CA 0.299 45.235 45.100 -0.272 0.000 0.728 689 G HN 0.421 nan 8.290 nan 0.000 0.508 690 F N -1.154 118.687 119.950 -0.181 0.000 2.811 690 F HA 0.464 4.992 4.527 0.000 0.000 0.342 690 F C 1.288 177.060 175.800 -0.047 0.000 1.203 690 F CA -0.210 57.704 58.000 -0.144 0.000 1.173 690 F CB -0.436 38.112 39.000 -0.752 0.000 1.094 690 F HN 0.255 nan 8.300 nan 0.000 0.510 691 S N -0.089 115.601 115.700 -0.017 0.000 2.500 691 S HA -0.220 4.250 4.470 0.000 0.000 0.239 691 S C 1.718 176.335 174.600 0.028 0.000 0.989 691 S CA 1.151 59.355 58.200 0.007 0.000 0.951 691 S CB -0.467 62.679 63.200 -0.090 0.000 0.759 691 S HN 0.705 nan 8.310 nan 0.000 0.523 692 Q N -0.142 119.621 119.800 -0.060 0.000 2.432 692 Q HA -0.010 4.330 4.340 0.000 0.000 0.205 692 Q C 0.879 176.754 176.000 -0.207 0.000 0.945 692 Q CA 0.789 56.479 55.803 -0.189 0.000 0.924 692 Q CB -0.495 28.032 28.738 -0.350 0.000 1.016 692 Q HN 0.695 nan 8.270 nan 0.000 0.503 693 Y N 0.685 121.093 120.300 0.180 0.000 2.441 693 Y HA 0.176 4.727 4.550 0.000 0.000 0.288 693 Y C 1.541 177.564 175.900 0.205 0.000 1.118 693 Y CA 0.421 58.648 58.100 0.212 0.000 1.215 693 Y CB 0.681 39.340 38.460 0.331 0.000 1.118 693 Y HN 0.089 nan 8.280 nan 0.000 0.547 694 V N -5.338 114.808 119.914 0.386 0.000 3.080 694 V HA 0.889 5.009 4.120 0.000 0.000 0.311 694 V C 0.722 176.969 176.094 0.254 0.000 1.389 694 V CA -0.566 61.914 62.300 0.301 0.000 1.049 694 V CB 1.223 33.235 31.823 0.315 0.000 1.078 694 V HN 0.316 nan 8.190 nan 0.000 0.468 695 G N -0.032 108.903 108.800 0.225 0.000 2.218 695 G HA2 0.122 4.083 3.960 0.000 0.000 0.216 695 G HA3 0.122 4.083 3.960 0.000 0.000 0.216 695 G C 0.257 175.261 174.900 0.173 0.000 0.994 695 G CA 0.556 45.761 45.100 0.175 0.000 0.637 695 G HN 2.557 nan 8.290 nan 0.000 0.505 696 S N -1.900 113.914 115.700 0.191 0.000 2.595 696 S HA 0.563 5.033 4.470 0.000 0.000 0.270 696 S C -0.765 173.930 174.600 0.159 0.000 1.145 696 S CA -0.137 58.189 58.200 0.209 0.000 0.825 696 S CB 1.877 65.253 63.200 0.293 0.000 1.107 696 S HN 1.219 nan 8.310 nan 0.000 0.461 697 V N 1.935 121.930 119.914 0.135 0.000 2.223 697 V HA 0.407 4.527 4.120 0.000 0.000 0.249 697 V C -0.061 176.069 176.094 0.059 0.000 1.233 697 V CA 0.250 62.610 62.300 0.100 0.000 1.131 697 V CB -1.056 30.827 31.823 0.099 0.000 1.298 697 V HN 0.785 nan 8.190 nan 0.000 0.498 698 E N 1.927 122.163 120.200 0.060 0.000 2.367 698 E HA 0.504 4.854 4.350 0.000 0.000 0.273 698 E C -1.044 175.573 176.600 0.028 0.000 0.903 698 E CA -1.029 55.389 56.400 0.031 0.000 0.764 698 E CB 2.894 32.616 29.700 0.037 0.000 1.252 698 E HN 0.234 nan 8.360 nan 0.000 0.446 699 V N 1.654 121.570 119.914 0.004 0.000 2.673 699 V HA 0.192 4.312 4.120 0.000 0.000 0.303 699 V C 1.362 177.463 176.094 0.012 0.000 1.046 699 V CA 1.977 64.278 62.300 0.001 0.000 1.126 699 V CB 0.529 32.339 31.823 -0.022 0.000 0.934 699 V HN 1.104 nan 8.190 nan 0.000 0.487 700 G N 3.841 112.654 108.800 0.021 0.000 2.258 700 G HA2 -0.202 3.758 3.960 0.000 0.000 0.233 700 G HA3 -0.202 3.758 3.960 0.000 0.000 0.233 700 G C 0.325 175.256 174.900 0.051 0.000 1.006 700 G CA 0.138 45.254 45.100 0.027 0.000 0.620 700 G HN 0.595 nan 8.290 nan 0.000 0.511 701 K N 0.319 120.758 120.400 0.066 0.000 2.098 701 K HA 0.641 4.961 4.320 0.000 0.000 0.244 701 K C 0.770 177.444 176.600 0.124 0.000 1.014 701 K CA -0.773 55.578 56.287 0.108 0.000 0.917 701 K CB 0.991 33.561 32.500 0.116 0.000 1.072 701 K HN 0.178 nan 8.250 nan 0.000 0.477 702 L N 1.275 122.596 121.223 0.163 0.000 2.483 702 L HA -0.027 4.313 4.340 0.000 0.000 0.276 702 L C 0.608 177.546 176.870 0.113 0.000 1.213 702 L CA -0.140 54.782 54.840 0.137 0.000 0.843 702 L CB 0.524 42.671 42.059 0.147 0.000 1.107 702 L HN 0.755 nan 8.230 nan 0.000 0.487 703 A N 2.384 125.259 122.820 0.091 0.000 3.077 703 A HA 0.130 4.451 4.320 0.000 0.000 0.255 703 A C -0.433 177.203 177.584 0.087 0.000 1.728 703 A CA -0.416 51.670 52.037 0.083 0.000 1.383 703 A CB -0.790 18.249 19.000 0.065 0.000 1.097 703 A HN 0.591 nan 8.150 nan 0.000 0.634 704 D N 1.357 121.819 120.400 0.103 0.000 2.456 704 D HA 0.513 5.153 4.640 0.000 0.000 0.219 704 D C -0.327 176.043 176.300 0.117 0.000 1.126 704 D CA 0.531 54.592 54.000 0.102 0.000 0.890 704 D CB 0.775 41.641 40.800 0.110 0.000 1.025 704 D HN 0.389 nan 8.370 nan 0.000 0.511 705 L N 1.020 122.305 121.223 0.103 0.000 2.371 705 L HA 0.632 4.972 4.340 0.000 0.000 0.262 705 L C -0.509 176.414 176.870 0.088 0.000 1.006 705 L CA -1.193 53.719 54.840 0.120 0.000 0.818 705 L CB 2.412 44.538 42.059 0.112 0.000 1.354 705 L HN -0.102 nan 8.230 nan 0.000 0.415 706 V N 2.403 122.386 119.914 0.115 0.000 2.540 706 V HA 0.500 4.620 4.120 0.000 0.000 0.302 706 V C -0.205 175.862 176.094 -0.046 0.000 1.035 706 V CA -0.574 61.703 62.300 -0.039 0.000 0.873 706 V CB 1.960 33.739 31.823 -0.074 0.000 0.992 706 V HN 0.591 nan 8.190 nan 0.000 0.428 707 M N 3.970 123.463 119.600 -0.179 0.000 2.238 707 M HA 0.488 4.968 4.480 0.000 0.000 0.350 707 M C -1.282 174.923 176.300 -0.158 0.000 1.138 707 M CA -0.176 55.101 55.300 -0.039 0.000 1.040 707 M CB 1.088 33.686 32.600 -0.003 0.000 1.639 707 M HN 0.665 nan 8.290 nan 0.000 0.451 708 W N 1.625 123.004 121.300 0.131 0.000 2.819 708 W HA 0.514 5.174 4.660 0.000 0.000 0.337 708 W C -0.220 176.393 176.519 0.156 0.000 1.077 708 W CA -0.675 56.759 57.345 0.148 0.000 1.226 708 W CB 1.168 30.777 29.460 0.248 0.000 1.419 708 W HN 0.438 nan 8.180 nan 0.000 0.502 709 K N 2.525 123.168 120.400 0.405 0.000 2.234 709 K HA 0.186 4.506 4.320 0.000 0.000 0.282 709 K C -1.733 175.077 176.600 0.349 0.000 1.039 709 K CA -1.362 55.114 56.287 0.314 0.000 0.928 709 K CB 1.491 34.172 32.500 0.301 0.000 1.039 709 K HN 0.014 nan 8.250 nan 0.000 0.470 710 P HA -0.258 nan 4.420 nan 0.000 0.216 710 P C 1.083 178.459 177.300 0.126 0.000 1.154 710 P CA 1.449 64.627 63.100 0.131 0.000 0.865 710 P CB 0.202 31.929 31.700 0.044 0.000 0.789 711 S N -2.209 113.574 115.700 0.138 0.000 2.442 711 S HA -0.101 4.370 4.470 0.000 0.000 0.236 711 S C 1.182 175.708 174.600 -0.123 0.000 1.007 711 S CA 1.095 59.300 58.200 0.008 0.000 0.965 711 S CB -1.273 61.919 63.200 -0.013 0.000 0.773 711 S HN 0.073 nan 8.310 nan 0.000 0.504 712 F N 0.509 120.518 119.950 0.099 0.000 2.683 712 F HA 0.464 4.992 4.527 0.000 0.000 0.306 712 F C 0.307 176.129 175.800 0.037 0.000 1.102 712 F CA -1.809 56.185 58.000 -0.010 0.000 1.244 712 F CB 0.004 39.012 39.000 0.014 0.000 1.029 712 F HN 0.127 nan 8.300 nan 0.000 0.545 713 F N 1.159 121.128 119.950 0.031 0.000 2.572 713 F HA 0.403 4.930 4.527 0.000 0.000 0.370 713 F C 1.314 176.835 175.800 -0.464 0.000 1.103 713 F CA 0.969 58.819 58.000 -0.249 0.000 1.286 713 F CB 0.606 39.357 39.000 -0.414 0.000 1.105 713 F HN 0.279 nan 8.300 nan 0.000 0.583 714 G N 3.199 110.950 108.800 -1.748 0.000 2.179 714 G HA2 -0.328 3.632 3.960 0.000 0.000 0.260 714 G HA3 -0.328 3.632 3.960 0.000 0.000 0.260 714 G C 0.578 175.342 174.900 -0.227 0.000 0.977 714 G CA 0.599 45.125 45.100 -0.958 0.000 0.641 714 G HN 0.989 nan 8.290 nan 0.000 0.533 715 T N -1.131 113.396 114.554 -0.045 0.000 3.409 715 T HA 0.376 4.726 4.350 0.000 0.000 0.242 715 T C 0.137 174.964 174.700 0.211 0.000 1.000 715 T CA 1.167 63.292 62.100 0.042 0.000 1.180 715 T CB 0.351 68.973 68.868 -0.410 0.000 1.210 715 T HN 0.242 nan 8.240 nan 0.000 0.373 716 K N 2.996 123.520 120.400 0.207 0.000 2.616 716 K HA 0.421 4.741 4.320 0.000 0.000 0.241 716 K C -2.821 173.784 176.600 0.009 0.000 0.961 716 K CA -1.910 54.436 56.287 0.099 0.000 0.942 716 K CB 2.386 34.906 32.500 0.032 0.000 1.153 716 K HN 0.299 nan 8.250 nan 0.000 0.452 717 P HA 0.055 nan 4.420 nan 0.000 0.274 717 P C -0.061 177.039 177.300 -0.334 0.000 1.246 717 P CA -0.154 62.531 63.100 -0.692 0.000 0.795 717 P CB 1.142 32.011 31.700 -1.386 0.000 1.006 718 E N 0.500 120.537 120.200 -0.272 0.000 2.060 718 E HA 0.024 4.375 4.350 0.000 0.000 0.189 718 E C 0.968 177.498 176.600 -0.117 0.000 0.974 718 E CA 1.427 57.740 56.400 -0.145 0.000 0.808 718 E CB -0.130 29.526 29.700 -0.073 0.000 0.768 718 E HN 0.604 nan 8.360 nan 0.000 0.453 719 M N -1.929 117.584 119.600 -0.145 0.000 2.520 719 M HA 0.479 4.959 4.480 0.000 0.000 0.280 719 M C -1.293 174.950 176.300 -0.095 0.000 1.232 719 M CA -0.806 54.452 55.300 -0.071 0.000 0.892 719 M CB 2.616 35.205 32.600 -0.019 0.000 1.728 719 M HN -0.350 nan 8.290 nan 0.000 0.475 720 V N 3.242 123.148 119.914 -0.013 0.000 2.378 720 V HA 0.526 4.646 4.120 0.000 0.000 0.288 720 V C -0.446 175.681 176.094 0.055 0.000 1.016 720 V CA -0.447 61.851 62.300 -0.004 0.000 0.840 720 V CB 1.554 33.383 31.823 0.009 0.000 0.994 720 V HN 0.755 nan 8.190 nan 0.000 0.431 721 I N 4.808 125.405 120.570 0.046 0.000 2.331 721 I HA 0.457 4.627 4.170 0.000 0.000 0.292 721 I C -0.036 176.124 176.117 0.071 0.000 0.998 721 I CA -0.487 60.850 61.300 0.062 0.000 1.267 721 I CB 1.367 39.400 38.000 0.055 0.000 1.386 721 I HN 0.416 nan 8.210 nan 0.000 0.476 722 K N 4.693 125.141 120.400 0.079 0.000 2.358 722 K HA 0.522 4.842 4.320 0.000 0.000 0.260 722 K C 0.397 177.038 176.600 0.067 0.000 0.956 722 K CA -0.245 56.088 56.287 0.076 0.000 0.834 722 K CB 1.459 34.014 32.500 0.090 0.000 1.102 722 K HN 0.712 nan 8.250 nan 0.000 0.431 723 G N 3.006 111.843 108.800 0.062 0.000 2.341 723 G HA2 -0.179 3.781 3.960 0.000 0.000 0.292 723 G HA3 -0.179 3.781 3.960 0.000 0.000 0.292 723 G C 0.841 175.772 174.900 0.052 0.000 1.021 723 G CA 0.844 45.977 45.100 0.056 0.000 0.905 723 G HN 1.586 nan 8.290 nan 0.000 0.508 724 G N -1.821 107.011 108.800 0.054 0.000 2.176 724 G HA2 -0.150 3.810 3.960 0.000 0.000 0.253 724 G HA3 -0.150 3.810 3.960 0.000 0.000 0.253 724 G C 0.288 175.213 174.900 0.041 0.000 0.979 724 G CA 1.211 46.338 45.100 0.045 0.000 0.641 724 G HN 1.790 nan 8.290 nan 0.000 0.530 725 M N 0.986 120.616 119.600 0.051 0.000 2.464 725 M HA 0.686 5.166 4.480 0.000 0.000 0.308 725 M C -0.049 176.293 176.300 0.070 0.000 1.127 725 M CA -0.858 54.474 55.300 0.054 0.000 0.913 725 M CB 2.235 34.869 32.600 0.057 0.000 1.689 725 M HN 0.020 nan 8.290 nan 0.000 0.445 726 V N 4.803 124.759 119.914 0.071 0.000 2.485 726 V HA 0.151 4.271 4.120 0.000 0.000 0.287 726 V C 0.862 177.017 176.094 0.101 0.000 1.022 726 V CA 0.788 63.136 62.300 0.080 0.000 1.067 726 V CB 0.072 31.937 31.823 0.069 0.000 0.967 726 V HN 1.051 nan 8.190 nan 0.000 0.479 727 A N 4.455 127.359 122.820 0.139 0.000 1.942 727 A HA 0.275 4.595 4.320 0.000 0.000 0.209 727 A C 0.236 177.964 177.584 0.240 0.000 1.214 727 A CA 0.372 52.534 52.037 0.208 0.000 0.686 727 A CB 0.174 19.341 19.000 0.280 0.000 0.871 727 A HN 0.692 nan 8.150 nan 0.000 0.460 728 W N -2.676 118.616 121.300 -0.013 0.000 3.107 728 W HA 0.668 5.328 4.660 0.000 0.000 0.331 728 W C -0.335 176.155 176.519 -0.048 0.000 1.204 728 W CA 0.195 57.521 57.345 -0.032 0.000 1.184 728 W CB 1.813 31.257 29.460 -0.026 0.000 1.421 728 W HN 0.406 nan 8.180 nan 0.000 0.544 729 A N 1.380 124.284 122.820 0.140 0.000 2.597 729 A HA 0.501 4.821 4.320 0.000 0.000 0.292 729 A C -1.797 175.805 177.584 0.028 0.000 1.057 729 A CA -0.840 51.232 52.037 0.058 0.000 0.674 729 A CB 1.118 20.129 19.000 0.018 0.000 1.278 729 A HN 0.388 nan 8.150 nan 0.000 0.416 730 D N 1.096 121.497 120.400 0.002 0.000 2.383 730 D HA 0.531 5.171 4.640 0.000 0.000 0.252 730 D C -0.336 175.955 176.300 -0.015 0.000 1.166 730 D CA 0.824 54.819 54.000 -0.009 0.000 0.879 730 D CB 0.660 41.436 40.800 -0.041 0.000 1.164 730 D HN 0.334 nan 8.370 nan 0.000 0.462 731 I N 1.224 121.784 120.570 -0.017 0.000 2.752 731 I HA 0.333 4.503 4.170 0.000 0.000 0.295 731 I C 0.830 176.938 176.117 -0.015 0.000 1.219 731 I CA -0.660 60.627 61.300 -0.021 0.000 1.030 731 I CB 1.779 39.754 38.000 -0.042 0.000 1.259 731 I HN 0.360 nan 8.210 nan 0.000 0.423 732 G N 2.198 110.994 108.800 -0.007 0.000 2.695 732 G HA2 0.165 4.125 3.960 0.000 0.000 0.213 732 G HA3 0.165 4.125 3.960 0.000 0.000 0.213 732 G C -0.436 174.461 174.900 -0.004 0.000 1.406 732 G CA -0.179 44.920 45.100 -0.001 0.000 1.049 732 G HN 0.574 nan 8.290 nan 0.000 0.573 733 D N 0.334 120.737 120.400 0.004 0.000 2.660 733 D HA 0.040 4.680 4.640 0.000 0.000 0.253 733 D C -1.247 175.053 176.300 0.000 0.000 1.256 733 D CA -1.046 52.956 54.000 0.004 0.000 0.914 733 D CB 1.039 41.848 40.800 0.015 0.000 1.137 733 D HN -0.131 nan 8.370 nan 0.000 0.542 734 P HA -0.101 nan 4.420 nan 0.000 0.223 734 P C 0.752 178.052 177.300 -0.000 0.000 1.144 734 P CA 0.815 63.908 63.100 -0.012 0.000 0.783 734 P CB 0.203 31.886 31.700 -0.029 0.000 0.771 735 N N -0.939 117.764 118.700 0.005 0.000 2.353 735 N HA 0.080 4.820 4.740 0.000 0.000 0.185 735 N C 0.345 175.865 175.510 0.018 0.000 1.098 735 N CA -0.099 52.957 53.050 0.011 0.000 0.872 735 N CB -0.287 38.207 38.487 0.012 0.000 0.970 735 N HN -0.111 nan 8.380 nan 0.000 0.467 736 A N -0.310 122.521 122.820 0.018 0.000 2.448 736 A HA 0.215 4.535 4.320 0.000 0.000 0.239 736 A C 1.470 179.067 177.584 0.022 0.000 1.080 736 A CA 0.309 52.360 52.037 0.023 0.000 0.779 736 A CB 0.018 19.032 19.000 0.022 0.000 1.026 736 A HN 0.479 nan 8.150 nan 0.000 0.499 737 S N 0.620 116.334 115.700 0.023 0.000 2.447 737 S HA 0.034 4.504 4.470 0.000 0.000 0.233 737 S C 0.703 175.316 174.600 0.022 0.000 1.006 737 S CA 1.176 59.388 58.200 0.021 0.000 0.957 737 S CB -0.986 62.225 63.200 0.018 0.000 0.773 737 S HN 0.911 nan 8.310 nan 0.000 0.507 738 I N -3.482 117.101 120.570 0.022 0.000 3.264 738 I HA 0.521 4.691 4.170 0.000 0.000 0.315 738 I C -2.662 173.467 176.117 0.021 0.000 1.154 738 I CA -2.902 58.412 61.300 0.023 0.000 0.962 738 I CB 1.637 39.650 38.000 0.022 0.000 1.265 738 I HN -0.334 nan 8.210 nan 0.000 0.463 739 P HA 0.085 nan 4.420 nan 0.000 0.255 739 P C 0.921 178.228 177.300 0.012 0.000 1.248 739 P CA 0.536 63.646 63.100 0.017 0.000 0.807 739 P CB 0.055 31.767 31.700 0.021 0.000 1.150 740 T N -4.682 109.880 114.554 0.014 0.000 3.037 740 T HA 0.190 4.540 4.350 0.000 0.000 0.251 740 T C -1.610 173.096 174.700 0.010 0.000 1.079 740 T CA -0.528 61.578 62.100 0.011 0.000 1.067 740 T CB -1.741 67.135 68.868 0.013 0.000 0.948 740 T HN 0.146 nan 8.240 nan 0.000 0.496 741 P HA 0.243 nan 4.420 nan 0.000 0.271 741 P C 0.016 177.325 177.300 0.013 0.000 1.218 741 P CA -0.056 63.051 63.100 0.012 0.000 0.780 741 P CB 0.744 32.456 31.700 0.019 0.000 0.901 742 E N 2.755 122.963 120.200 0.013 0.000 2.436 742 E HA 0.065 4.415 4.350 0.000 0.000 0.262 742 E C -1.854 174.758 176.600 0.020 0.000 1.063 742 E CA -1.338 55.071 56.400 0.014 0.000 0.944 742 E CB -0.690 29.016 29.700 0.010 0.000 0.950 742 E HN 0.416 nan 8.360 nan 0.000 0.444 743 P HA 0.130 nan 4.420 nan 0.000 0.293 743 P C -0.428 176.883 177.300 0.019 0.000 1.300 743 P CA -0.368 62.746 63.100 0.022 0.000 0.792 743 P CB 0.857 32.576 31.700 0.032 0.000 0.925 744 V N 5.617 125.542 119.914 0.019 0.000 2.432 744 V HA 0.243 4.363 4.120 0.000 0.000 0.271 744 V C 0.675 176.786 176.094 0.028 0.000 1.046 744 V CA 0.219 62.528 62.300 0.016 0.000 0.945 744 V CB 0.244 32.075 31.823 0.012 0.000 0.992 744 V HN 0.543 nan 8.190 nan 0.000 0.471 745 K N 4.133 124.548 120.400 0.026 0.000 2.480 745 K HA 0.584 4.904 4.320 0.000 0.000 0.258 745 K C -0.932 175.702 176.600 0.057 0.000 0.990 745 K CA -1.161 55.157 56.287 0.051 0.000 0.857 745 K CB 2.002 34.536 32.500 0.056 0.000 1.384 745 K HN 0.352 nan 8.250 nan 0.000 0.446 746 M N 2.636 122.304 119.600 0.114 0.000 2.184 746 M HA 0.184 4.664 4.480 0.000 0.000 0.351 746 M C -0.473 175.958 176.300 0.219 0.000 1.395 746 M CA 0.606 56.020 55.300 0.190 0.000 1.117 746 M CB -0.187 32.564 32.600 0.252 0.000 1.708 746 M HN 0.516 nan 8.290 nan 0.000 0.468 747 R N 5.038 125.563 120.500 0.042 0.000 2.795 747 R HA 0.619 4.959 4.340 0.000 0.000 0.275 747 R C -2.584 173.178 176.300 -0.897 0.000 0.981 747 R CA -1.796 54.087 56.100 -0.362 0.000 0.917 747 R CB 1.593 31.730 30.300 -0.273 0.000 1.202 747 R HN 0.408 nan 8.270 nan 0.000 0.469 748 P HA 0.091 nan 4.420 nan 0.000 0.275 748 P C -0.629 176.190 177.300 -0.801 0.000 1.227 748 P CA 0.005 62.053 63.100 -1.753 0.000 0.781 748 P CB 0.862 31.727 31.700 -1.391 0.000 0.906 749 M N 1.957 121.228 119.600 -0.548 0.000 2.623 749 M HA 0.226 4.706 4.480 0.000 0.000 0.251 749 M C 1.619 177.736 176.300 -0.304 0.000 1.009 749 M CA -0.742 54.347 55.300 -0.353 0.000 1.155 749 M CB -0.729 31.793 32.600 -0.130 0.000 1.428 749 M HN 0.251 nan 8.290 nan 0.000 0.640 750 Y N 0.427 120.676 120.300 -0.085 0.000 2.384 750 Y HA -0.074 4.476 4.550 0.000 0.000 0.289 750 Y C 2.162 178.046 175.900 -0.026 0.000 1.152 750 Y CA 1.597 59.665 58.100 -0.053 0.000 1.258 750 Y CB -0.960 37.479 38.460 -0.035 0.000 0.979 750 Y HN 0.813 nan 8.280 nan 0.000 0.549 751 G N -1.228 107.637 108.800 0.108 0.000 2.776 751 G HA2 -0.150 3.810 3.960 0.000 0.000 0.209 751 G HA3 -0.150 3.810 3.960 0.000 0.000 0.209 751 G C 1.427 176.381 174.900 0.090 0.000 1.145 751 G CA 1.270 46.431 45.100 0.103 0.000 0.791 751 G HN 0.460 nan 8.290 nan 0.000 0.530 752 T N -1.943 112.631 114.554 0.034 0.000 3.054 752 T HA 0.458 4.808 4.350 0.000 0.000 0.255 752 T C 0.695 175.401 174.700 0.010 0.000 1.035 752 T CA -0.410 61.714 62.100 0.041 0.000 0.941 752 T CB 0.049 68.902 68.868 -0.026 0.000 1.026 752 T HN 0.036 nan 8.240 nan 0.000 0.533 753 L N 1.258 122.483 121.223 0.003 0.000 2.360 753 L HA 0.660 5.000 4.340 0.000 0.000 0.271 753 L C 1.597 178.488 176.870 0.036 0.000 1.057 753 L CA -0.347 54.496 54.840 0.005 0.000 0.803 753 L CB 0.664 42.721 42.059 -0.003 0.000 1.207 753 L HN 0.450 nan 8.230 nan 0.000 0.445 754 G N 1.728 110.545 108.800 0.027 0.000 2.614 754 G HA2 -0.352 3.608 3.960 0.000 0.000 0.303 754 G HA3 -0.352 3.608 3.960 0.000 0.000 0.303 754 G C 0.420 175.339 174.900 0.032 0.000 1.270 754 G CA 0.458 45.575 45.100 0.029 0.000 0.988 754 G HN 0.734 nan 8.290 nan 0.000 0.551 755 K N 1.177 121.595 120.400 0.031 0.000 2.440 755 K HA 0.540 4.860 4.320 0.000 0.000 0.206 755 K C 2.356 178.979 176.600 0.037 0.000 1.025 755 K CA 0.616 56.921 56.287 0.030 0.000 1.135 755 K CB 0.416 32.928 32.500 0.020 0.000 0.856 755 K HN 0.603 nan 8.250 nan 0.000 0.502 756 A N 1.302 124.150 122.820 0.047 0.000 1.917 756 A HA -0.152 4.168 4.320 0.000 0.000 0.219 756 A C 2.270 179.889 177.584 0.059 0.000 1.182 756 A CA 2.130 54.199 52.037 0.054 0.000 0.633 756 A CB -1.132 17.911 19.000 0.071 0.000 0.819 756 A HN 0.439 nan 8.150 nan 0.000 0.448 757 G N -0.602 108.242 108.800 0.072 0.000 2.513 757 G HA2 -0.109 3.851 3.960 0.000 0.000 0.219 757 G HA3 -0.109 3.851 3.960 0.000 0.000 0.219 757 G C 1.553 176.494 174.900 0.068 0.000 1.160 757 G CA 1.433 46.586 45.100 0.090 0.000 0.767 757 G HN 0.805 nan 8.290 nan 0.000 0.571 758 G N 0.791 109.620 108.800 0.048 0.000 2.422 758 G HA2 0.104 4.064 3.960 0.000 0.000 0.218 758 G HA3 0.104 4.064 3.960 0.000 0.000 0.218 758 G C 1.973 176.880 174.900 0.012 0.000 1.140 758 G CA 1.361 46.476 45.100 0.025 0.000 0.775 758 G HN 0.704 nan 8.290 nan 0.000 0.545 759 A N 0.182 123.014 122.820 0.020 0.000 2.067 759 A HA 0.257 4.577 4.320 0.000 0.000 0.219 759 A C 2.123 179.717 177.584 0.016 0.000 1.158 759 A CA 0.718 52.764 52.037 0.015 0.000 0.661 759 A CB -0.176 18.836 19.000 0.020 0.000 0.801 759 A HN 0.369 nan 8.150 nan 0.000 0.452 760 L N -0.704 120.535 121.223 0.026 0.000 2.607 760 L HA 0.185 4.525 4.340 0.000 0.000 0.228 760 L C 0.181 177.059 176.870 0.013 0.000 1.123 760 L CA -0.156 54.703 54.840 0.031 0.000 0.890 760 L CB 0.115 42.205 42.059 0.053 0.000 1.103 760 L HN 0.187 nan 8.230 nan 0.000 0.468 761 S N -0.698 114.994 115.700 -0.012 0.000 2.806 761 S HA 0.702 5.172 4.470 0.000 0.000 0.306 761 S C -0.542 173.965 174.600 -0.155 0.000 1.167 761 S CA -0.539 57.624 58.200 -0.062 0.000 0.847 761 S CB 2.527 65.718 63.200 -0.015 0.000 1.216 761 S HN -0.062 nan 8.310 nan 0.000 0.532 762 I N 0.724 121.109 120.570 -0.308 0.000 2.582 762 I HA 0.610 4.780 4.170 0.000 0.000 0.292 762 I C -0.679 175.045 176.117 -0.654 0.000 1.066 762 I CA -0.938 60.039 61.300 -0.539 0.000 1.053 762 I CB 1.951 39.418 38.000 -0.888 0.000 1.241 762 I HN 0.702 nan 8.210 nan 0.000 0.421 763 A N 6.041 128.593 122.820 -0.446 0.000 2.253 763 A HA 0.710 5.030 4.320 0.000 0.000 0.316 763 A C -0.955 176.451 177.584 -0.297 0.000 1.327 763 A CA -0.265 51.623 52.037 -0.249 0.000 0.917 763 A CB -0.044 18.938 19.000 -0.031 0.000 1.162 763 A HN 0.458 nan 8.150 nan 0.000 0.535 764 F N 2.517 122.450 119.950 -0.028 0.000 2.438 764 F HA 0.455 4.982 4.527 0.000 0.000 0.356 764 F C 0.794 176.648 175.800 0.089 0.000 1.099 764 F CA -0.106 57.883 58.000 -0.018 0.000 1.185 764 F CB 1.291 40.255 39.000 -0.060 0.000 1.115 764 F HN 0.518 nan 8.300 nan 0.000 0.526 765 V N -0.615 119.461 119.914 0.271 0.000 3.156 765 V HA 0.805 4.925 4.120 0.000 0.000 0.311 765 V C -0.139 176.064 176.094 0.182 0.000 1.208 765 V CA -1.053 61.369 62.300 0.204 0.000 1.063 765 V CB 1.299 33.200 31.823 0.130 0.000 1.098 765 V HN 0.707 nan 8.190 nan 0.000 0.452 766 S N -0.146 115.636 115.700 0.137 0.000 2.624 766 S HA 0.315 4.785 4.470 0.000 0.000 0.263 766 S C 0.870 175.541 174.600 0.118 0.000 1.287 766 S CA 0.319 58.594 58.200 0.124 0.000 0.990 766 S CB 0.995 64.250 63.200 0.092 0.000 0.950 766 S HN 1.122 nan 8.310 nan 0.000 0.561 767 K N 0.305 120.779 120.400 0.124 0.000 2.155 767 K HA 0.007 4.327 4.320 0.000 0.000 0.203 767 K C 2.116 178.775 176.600 0.098 0.000 1.052 767 K CA 0.987 57.334 56.287 0.099 0.000 0.948 767 K CB -0.824 31.722 32.500 0.076 0.000 0.728 767 K HN 0.725 nan 8.250 nan 0.000 0.448 768 A N 1.344 124.258 122.820 0.156 0.000 1.908 768 A HA -0.118 4.202 4.320 0.000 0.000 0.218 768 A C 2.367 180.000 177.584 0.082 0.000 1.181 768 A CA 1.881 54.012 52.037 0.158 0.000 0.627 768 A CB -0.840 18.334 19.000 0.290 0.000 0.818 768 A HN 0.499 nan 8.150 nan 0.000 0.445 769 A N -0.773 122.084 122.820 0.063 0.000 1.898 769 A HA -0.006 4.315 4.320 0.000 0.000 0.216 769 A C 2.114 179.688 177.584 -0.016 0.000 1.181 769 A CA 1.692 53.737 52.037 0.013 0.000 0.620 769 A CB -0.557 18.457 19.000 0.023 0.000 0.819 769 A HN 0.605 nan 8.150 nan 0.000 0.442 770 L N 0.010 121.241 121.223 0.014 0.000 2.093 770 L HA -0.118 4.222 4.340 0.000 0.000 0.208 770 L C 1.466 178.335 176.870 -0.002 0.000 1.085 770 L CA 2.174 57.015 54.840 0.003 0.000 0.755 770 L CB -0.597 41.483 42.059 0.034 0.000 0.904 770 L HN 0.309 nan 8.230 nan 0.000 0.435 771 D N -0.795 119.614 120.400 0.015 0.000 2.218 771 D HA -0.187 4.453 4.640 0.000 0.000 0.204 771 D C 2.046 178.342 176.300 -0.005 0.000 0.976 771 D CA 0.942 54.949 54.000 0.011 0.000 0.853 771 D CB 0.019 40.833 40.800 0.024 0.000 0.939 771 D HN 0.529 nan 8.370 nan 0.000 0.481 772 Q N -0.172 119.618 119.800 -0.016 0.000 2.432 772 Q HA 0.066 4.406 4.340 0.000 0.000 0.205 772 Q C -0.027 175.927 176.000 -0.076 0.000 0.945 772 Q CA 0.115 55.895 55.803 -0.039 0.000 0.924 772 Q CB 0.484 29.194 28.738 -0.047 0.000 1.016 772 Q HN 0.165 nan 8.270 nan 0.000 0.503 773 R N -0.186 120.267 120.500 -0.080 0.000 3.423 773 R HA -0.141 4.199 4.340 0.000 0.000 0.271 773 R C 1.078 177.263 176.300 -0.191 0.000 1.093 773 R CA 0.620 56.660 56.100 -0.100 0.000 0.730 773 R CB -2.725 27.535 30.300 -0.068 0.000 1.190 773 R HN 0.296 nan 8.270 nan 0.000 0.437 774 V N -1.578 118.164 119.914 -0.287 0.000 2.568 774 V HA -0.331 3.789 4.120 0.000 0.000 0.253 774 V C 2.102 177.858 176.094 -0.563 0.000 1.072 774 V CA 2.135 64.052 62.300 -0.638 0.000 1.084 774 V CB -0.672 30.703 31.823 -0.745 0.000 0.676 774 V HN 0.621 nan 8.190 nan 0.000 0.469 775 N N 1.076 119.622 118.700 -0.256 0.000 2.166 775 N HA -0.141 4.600 4.740 0.000 0.000 0.186 775 N C 1.526 176.981 175.510 -0.091 0.000 1.019 775 N CA 1.648 54.621 53.050 -0.128 0.000 0.856 775 N CB -0.556 37.886 38.487 -0.075 0.000 0.993 775 N HN 0.391 nan 8.380 nan 0.000 0.426 776 V N 1.126 120.977 119.914 -0.104 0.000 2.302 776 V HA -0.089 4.031 4.120 0.000 0.000 0.243 776 V C 2.426 178.492 176.094 -0.046 0.000 1.036 776 V CA 1.090 63.355 62.300 -0.058 0.000 1.020 776 V CB -0.708 31.084 31.823 -0.052 0.000 0.657 776 V HN 0.310 nan 8.190 nan 0.000 0.453 777 L N -0.843 120.317 121.223 -0.105 0.000 2.081 777 L HA -0.222 4.118 4.340 0.000 0.000 0.212 777 L C 2.405 179.370 176.870 0.157 0.000 1.080 777 L CA 1.739 56.557 54.840 -0.037 0.000 0.754 777 L CB -0.665 41.309 42.059 -0.141 0.000 0.893 777 L HN 0.370 nan 8.230 nan 0.000 0.433 778 Y N -0.059 120.221 120.300 -0.034 0.000 2.466 778 Y HA 0.248 4.798 4.550 0.000 0.000 0.272 778 Y C 1.833 177.707 175.900 -0.043 0.000 1.169 778 Y CA -0.278 57.795 58.100 -0.046 0.000 1.285 778 Y CB -0.925 37.499 38.460 -0.060 0.000 1.078 778 Y HN 0.259 nan 8.280 nan 0.000 0.523 779 G N 0.984 109.846 108.800 0.104 0.000 2.305 779 G HA2 -0.282 3.678 3.960 0.000 0.000 0.287 779 G HA3 -0.282 3.678 3.960 0.000 0.000 0.287 779 G C -0.311 174.612 174.900 0.038 0.000 1.036 779 G CA -0.174 44.955 45.100 0.049 0.000 0.887 779 G HN 0.113 nan 8.290 nan 0.000 0.505 780 L N 0.506 121.755 121.223 0.043 0.000 2.380 780 L HA 0.302 4.642 4.340 0.000 0.000 0.273 780 L C 1.576 178.448 176.870 0.004 0.000 1.138 780 L CA 0.244 55.098 54.840 0.024 0.000 0.832 780 L CB 1.128 43.205 42.059 0.030 0.000 1.124 780 L HN 0.406 nan 8.230 nan 0.000 0.454 781 N N 2.018 120.717 118.700 -0.001 0.000 2.409 781 N HA -0.037 4.704 4.740 0.000 0.000 0.174 781 N C 0.571 176.075 175.510 -0.009 0.000 1.037 781 N CA 0.026 53.075 53.050 -0.002 0.000 0.898 781 N CB 0.468 38.957 38.487 0.002 0.000 1.010 781 N HN 0.525 nan 8.380 nan 0.000 0.445 782 K N 1.906 122.298 120.400 -0.014 0.000 2.326 782 K HA 0.008 4.328 4.320 0.000 0.000 0.275 782 K C 0.132 176.700 176.600 -0.053 0.000 1.018 782 K CA -0.458 55.811 56.287 -0.029 0.000 0.962 782 K CB 0.887 33.372 32.500 -0.025 0.000 0.953 782 K HN 0.057 nan 8.250 nan 0.000 0.475 783 R N 2.475 122.930 120.500 -0.075 0.000 2.623 783 R HA 0.071 4.412 4.340 0.000 0.000 0.271 783 R C -1.116 175.095 176.300 -0.149 0.000 1.043 783 R CA -0.212 55.830 56.100 -0.096 0.000 1.083 783 R CB 0.518 30.756 30.300 -0.103 0.000 0.974 783 R HN 0.328 nan 8.270 nan 0.000 0.436 784 V N 4.360 124.202 119.914 -0.120 0.000 2.540 784 V HA 0.393 4.513 4.120 0.000 0.000 0.302 784 V C -0.610 175.421 176.094 -0.106 0.000 1.035 784 V CA -0.685 61.540 62.300 -0.125 0.000 0.873 784 V CB 1.795 33.580 31.823 -0.064 0.000 0.992 784 V HN 0.816 nan 8.190 nan 0.000 0.428 785 E N 2.153 122.283 120.200 -0.117 0.000 2.367 785 E HA 0.737 5.087 4.350 0.000 0.000 0.273 785 E C -0.499 176.188 176.600 0.145 0.000 0.903 785 E CA -0.703 55.685 56.400 -0.021 0.000 0.764 785 E CB 2.633 32.182 29.700 -0.252 0.000 1.252 785 E HN 0.757 nan 8.360 nan 0.000 0.446 786 A N 1.313 124.244 122.820 0.186 0.000 2.327 786 A HA 0.533 4.853 4.320 0.000 0.000 0.283 786 A C 0.428 178.171 177.584 0.264 0.000 1.127 786 A CA -0.626 51.533 52.037 0.204 0.000 0.810 786 A CB 0.354 19.442 19.000 0.147 0.000 1.066 786 A HN 0.389 nan 8.150 nan 0.000 0.492 787 V N 1.043 121.098 119.914 0.235 0.000 3.003 787 V HA 0.805 4.925 4.120 0.000 0.000 0.305 787 V C 0.273 176.445 176.094 0.130 0.000 1.078 787 V CA 0.276 62.695 62.300 0.197 0.000 1.083 787 V CB 0.689 32.610 31.823 0.163 0.000 1.039 787 V HN 1.663 nan 8.190 nan 0.000 0.481 788 S N 0.494 116.242 115.700 0.079 0.000 2.636 788 S HA 0.465 4.935 4.470 0.000 0.000 0.268 788 S C -0.511 174.085 174.600 -0.006 0.000 1.159 788 S CA -0.412 57.813 58.200 0.042 0.000 0.815 788 S CB 1.125 64.360 63.200 0.058 0.000 1.130 788 S HN 1.373 nan 8.310 nan 0.000 0.471 789 N N -0.044 118.647 118.700 -0.015 0.000 2.696 789 N HA -0.126 4.614 4.740 0.000 0.000 0.256 789 N C 0.537 176.011 175.510 -0.060 0.000 1.031 789 N CA 1.050 54.079 53.050 -0.036 0.000 0.730 789 N CB -1.666 36.797 38.487 -0.040 0.000 0.894 789 N HN 1.398 nan 8.380 nan 0.000 0.544 790 V N -3.446 116.434 119.914 -0.055 0.000 3.432 790 V HA 0.293 4.413 4.120 0.000 0.000 0.298 790 V C 1.492 177.548 176.094 -0.064 0.000 1.464 790 V CA -0.039 62.215 62.300 -0.077 0.000 1.046 790 V CB 0.772 32.544 31.823 -0.084 0.000 0.887 790 V HN 0.086 nan 8.190 nan 0.000 0.441 791 R N 1.159 121.633 120.500 -0.044 0.000 2.334 791 R HA 0.362 4.702 4.340 0.000 0.000 0.216 791 R C 1.025 177.304 176.300 -0.035 0.000 0.905 791 R CA 0.214 56.292 56.100 -0.036 0.000 1.064 791 R CB -0.103 30.186 30.300 -0.018 0.000 1.046 791 R HN 0.512 nan 8.270 nan 0.000 0.508 792 K N 0.386 120.761 120.400 -0.041 0.000 2.438 792 K HA 0.312 4.632 4.320 0.000 0.000 0.205 792 K C 0.027 176.600 176.600 -0.046 0.000 1.033 792 K CA -0.113 56.152 56.287 -0.036 0.000 1.089 792 K CB 0.732 33.214 32.500 -0.029 0.000 0.857 792 K HN -0.047 nan 8.250 nan 0.000 0.522 793 L N 1.453 122.639 121.223 -0.062 0.000 2.395 793 L HA 0.255 4.595 4.340 0.000 0.000 0.269 793 L C 0.752 177.579 176.870 -0.071 0.000 1.133 793 L CA -0.152 54.643 54.840 -0.076 0.000 0.812 793 L CB 1.042 43.039 42.059 -0.103 0.000 1.125 793 L HN 0.120 nan 8.230 nan 0.000 0.452 794 T N -2.199 112.313 114.554 -0.069 0.000 2.838 794 T HA 0.277 4.627 4.350 0.000 0.000 0.292 794 T C 0.498 175.156 174.700 -0.070 0.000 1.113 794 T CA -0.858 61.206 62.100 -0.060 0.000 1.008 794 T CB 1.722 70.566 68.868 -0.039 0.000 1.259 794 T HN 0.410 nan 8.240 nan 0.000 0.520 795 K N 0.160 120.524 120.400 -0.059 0.000 2.218 795 K HA 0.092 4.412 4.320 0.000 0.000 0.205 795 K C 1.903 178.465 176.600 -0.062 0.000 1.046 795 K CA 1.482 57.731 56.287 -0.064 0.000 0.933 795 K CB -1.193 31.280 32.500 -0.044 0.000 0.728 795 K HN 0.651 nan 8.250 nan 0.000 0.454 796 L N 0.385 121.580 121.223 -0.048 0.000 2.362 796 L HA -0.130 4.210 4.340 0.000 0.000 0.219 796 L C 1.044 177.884 176.870 -0.050 0.000 1.134 796 L CA 0.963 55.780 54.840 -0.039 0.000 0.807 796 L CB -0.334 41.710 42.059 -0.026 0.000 0.927 796 L HN 0.188 nan 8.230 nan 0.000 0.447 797 D N -0.526 119.833 120.400 -0.069 0.000 2.340 797 D HA 0.058 4.698 4.640 0.000 0.000 0.220 797 D C 0.828 177.057 176.300 -0.118 0.000 1.039 797 D CA 0.398 54.347 54.000 -0.084 0.000 0.866 797 D CB 0.321 41.067 40.800 -0.089 0.000 0.913 797 D HN 0.203 nan 8.370 nan 0.000 0.523 798 M N 1.822 121.348 119.600 -0.124 0.000 2.108 798 M HA 0.089 4.569 4.480 0.000 0.000 0.347 798 M C 0.231 176.437 176.300 -0.157 0.000 1.326 798 M CA -0.260 54.942 55.300 -0.163 0.000 1.126 798 M CB 0.700 33.206 32.600 -0.156 0.000 1.606 798 M HN -0.395 nan 8.290 nan 0.000 0.462 799 K N 4.609 124.877 120.400 -0.220 0.000 2.466 799 K HA 0.026 4.346 4.320 0.000 0.000 0.278 799 K C 0.991 177.493 176.600 -0.164 0.000 1.048 799 K CA 0.104 56.262 56.287 -0.215 0.000 1.088 799 K CB 0.161 32.350 32.500 -0.518 0.000 0.884 799 K HN 0.782 nan 8.250 nan 0.000 0.478 800 L N 1.287 122.475 121.223 -0.058 0.000 4.555 800 L HA -0.322 4.018 4.340 0.000 0.000 0.431 800 L C -0.048 176.767 176.870 -0.092 0.000 1.136 800 L CA 0.792 55.597 54.840 -0.057 0.000 0.972 800 L CB -1.292 40.675 42.059 -0.154 0.000 1.999 800 L HN 0.720 nan 8.230 nan 0.000 0.900 801 N N 0.738 119.377 118.700 -0.101 0.000 2.664 801 N HA 0.134 4.874 4.740 0.000 0.000 0.287 801 N C -0.083 175.378 175.510 -0.082 0.000 1.869 801 N CA 0.207 53.190 53.050 -0.111 0.000 0.832 801 N CB 0.716 39.100 38.487 -0.170 0.000 1.293 801 N HN 0.335 nan 8.380 nan 0.000 0.498 802 D N -0.752 119.622 120.400 -0.043 0.000 2.424 802 D HA 0.125 4.766 4.640 0.000 0.000 0.220 802 D C 0.604 176.894 176.300 -0.017 0.000 1.150 802 D CA -0.343 53.637 54.000 -0.034 0.000 0.831 802 D CB 0.087 40.875 40.800 -0.021 0.000 0.981 802 D HN 0.143 nan 8.370 nan 0.000 0.500 803 A N 0.652 123.464 122.820 -0.014 0.000 2.477 803 A HA 0.421 4.741 4.320 0.000 0.000 0.246 803 A C 0.186 177.764 177.584 -0.010 0.000 1.078 803 A CA -0.144 51.890 52.037 -0.004 0.000 0.770 803 A CB 0.157 19.158 19.000 0.001 0.000 1.011 803 A HN 0.400 nan 8.150 nan 0.000 0.494 804 L N 4.951 126.172 121.223 -0.004 0.000 2.732 804 L HA 0.256 4.596 4.340 0.000 0.000 0.246 804 L C -1.962 174.908 176.870 -0.001 0.000 1.407 804 L CA -1.286 53.551 54.840 -0.004 0.000 0.861 804 L CB 1.049 43.106 42.059 -0.004 0.000 1.161 804 L HN 0.626 nan 8.230 nan 0.000 0.510 805 P HA 0.034 nan 4.420 nan 0.000 0.274 805 P C -0.525 176.775 177.300 -0.001 0.000 1.231 805 P CA -0.280 62.820 63.100 0.000 0.000 0.790 805 P CB 1.170 32.870 31.700 0.002 0.000 0.951 806 E N 2.068 122.267 120.200 -0.002 0.000 2.129 806 E HA 0.185 4.535 4.350 0.000 0.000 0.283 806 E C -0.386 176.210 176.600 -0.005 0.000 1.080 806 E CA -0.529 55.868 56.400 -0.004 0.000 0.867 806 E CB 0.188 29.884 29.700 -0.007 0.000 1.056 806 E HN 0.245 nan 8.360 nan 0.000 0.404 807 I N 4.508 125.075 120.570 -0.006 0.000 2.385 807 I HA 0.186 4.356 4.170 0.000 0.000 0.294 807 I C 0.544 176.653 176.117 -0.013 0.000 0.988 807 I CA -0.302 60.994 61.300 -0.007 0.000 1.265 807 I CB 1.062 39.059 38.000 -0.004 0.000 1.388 807 I HN 0.543 nan 8.210 nan 0.000 0.480 808 T N 3.052 117.598 114.554 -0.012 0.000 2.893 808 T HA 0.793 5.143 4.350 0.000 0.000 0.291 808 T C -0.653 174.040 174.700 -0.011 0.000 1.028 808 T CA -0.732 61.358 62.100 -0.017 0.000 0.995 808 T CB 2.198 71.057 68.868 -0.015 0.000 1.051 808 T HN 0.195 nan 8.240 nan 0.000 0.470 809 V N 2.216 122.121 119.914 -0.015 0.000 2.525 809 V HA 0.363 4.483 4.120 0.000 0.000 0.299 809 V C -0.399 175.704 176.094 0.016 0.000 1.034 809 V CA -0.964 61.336 62.300 0.001 0.000 0.863 809 V CB 1.647 33.458 31.823 -0.020 0.000 0.999 809 V HN 1.082 nan 8.190 nan 0.000 0.423 810 D N 6.606 127.032 120.400 0.043 0.000 2.434 810 D HA 0.116 4.756 4.640 0.000 0.000 0.252 810 D C -1.560 174.798 176.300 0.098 0.000 1.185 810 D CA -1.270 52.756 54.000 0.044 0.000 0.886 810 D CB 2.198 43.017 40.800 0.032 0.000 1.148 810 D HN 0.218 nan 8.370 nan 0.000 0.483 811 P HA -0.132 nan 4.420 nan 0.000 0.217 811 P C 0.557 177.930 177.300 0.121 0.000 1.148 811 P CA 1.346 64.491 63.100 0.076 0.000 0.828 811 P CB 0.360 32.054 31.700 -0.010 0.000 0.783 812 E N -1.210 119.001 120.200 0.017 0.000 2.162 812 E HA -0.013 4.337 4.350 0.000 0.000 0.193 812 E C 1.982 178.421 176.600 -0.269 0.000 0.953 812 E CA 1.100 57.440 56.400 -0.100 0.000 0.849 812 E CB -0.291 29.362 29.700 -0.078 0.000 0.810 812 E HN 0.250 nan 8.360 nan 0.000 0.470 813 S N -0.366 115.244 115.700 -0.150 0.000 2.478 813 S HA -0.066 4.404 4.470 0.000 0.000 0.222 813 S C 0.350 174.902 174.600 -0.080 0.000 1.008 813 S CA -0.023 58.072 58.200 -0.173 0.000 0.928 813 S CB -0.083 63.074 63.200 -0.072 0.000 0.781 813 S HN 0.298 nan 8.310 nan 0.000 0.518 814 Y N 0.590 120.870 120.300 -0.033 0.000 4.841 814 Y HA -0.193 4.357 4.550 0.000 0.000 0.242 814 Y C 0.443 176.326 175.900 -0.029 0.000 1.002 814 Y CA 0.161 58.242 58.100 -0.032 0.000 2.011 814 Y CB -2.998 35.442 38.460 -0.034 0.000 1.554 814 Y HN 0.290 nan 8.280 nan 0.000 0.618 815 T N 1.703 116.325 114.554 0.113 0.000 2.867 815 T HA 0.388 4.739 4.350 0.000 0.000 0.297 815 T C 0.628 175.353 174.700 0.042 0.000 0.989 815 T CA 0.098 62.231 62.100 0.055 0.000 1.159 815 T CB 0.994 69.876 68.868 0.024 0.000 0.928 815 T HN 0.051 nan 8.240 nan 0.000 0.538 816 V N 5.275 125.207 119.914 0.029 0.000 2.532 816 V HA 0.508 4.628 4.120 0.000 0.000 0.295 816 V C 0.200 176.300 176.094 0.009 0.000 1.041 816 V CA -0.681 61.627 62.300 0.014 0.000 0.926 816 V CB 1.668 33.496 31.823 0.008 0.000 0.992 816 V HN 0.745 nan 8.190 nan 0.000 0.457 817 K N 2.308 122.710 120.400 0.004 0.000 2.426 817 K HA 0.824 5.145 4.320 0.000 0.000 0.251 817 K C -0.990 175.610 176.600 0.001 0.000 0.941 817 K CA -0.663 55.626 56.287 0.003 0.000 0.808 817 K CB 2.598 35.098 32.500 0.001 0.000 1.265 817 K HN 0.765 nan 8.250 nan 0.000 0.432 818 A N 2.335 125.156 122.820 0.002 0.000 2.285 818 A HA 0.371 4.691 4.320 0.000 0.000 0.310 818 A C -0.600 176.985 177.584 0.001 0.000 1.266 818 A CA -0.367 51.671 52.037 0.002 0.000 0.832 818 A CB 0.211 19.214 19.000 0.005 0.000 1.163 818 A HN 0.886 nan 8.150 nan 0.000 0.499 819 D N 2.058 122.458 120.400 -0.001 0.000 2.708 819 D HA -0.216 4.424 4.640 0.000 0.000 0.236 819 D C 1.174 177.473 176.300 -0.002 0.000 1.146 819 D CA 2.437 56.436 54.000 -0.002 0.000 0.662 819 D CB -1.260 39.540 40.800 -0.000 0.000 1.059 819 D HN 1.911 nan 8.370 nan 0.000 0.428 820 G N -0.650 108.148 108.800 -0.003 0.000 2.184 820 G HA2 -0.373 3.587 3.960 0.000 0.000 0.264 820 G HA3 -0.373 3.587 3.960 0.000 0.000 0.264 820 G C 0.298 175.198 174.900 -0.001 0.000 0.975 820 G CA 0.838 45.937 45.100 -0.003 0.000 0.642 820 G HN 0.485 nan 8.290 nan 0.000 0.536 821 K N 0.199 120.600 120.400 0.001 0.000 2.159 821 K HA 0.625 4.945 4.320 0.000 0.000 0.266 821 K C 0.664 177.267 176.600 0.004 0.000 0.975 821 K CA -0.831 55.458 56.287 0.003 0.000 0.865 821 K CB 1.610 34.113 32.500 0.004 0.000 1.087 821 K HN 0.167 nan 8.250 nan 0.000 0.446 822 L N 3.612 124.838 121.223 0.004 0.000 2.485 822 L HA 0.041 4.381 4.340 0.000 0.000 0.275 822 L C 0.239 177.114 176.870 0.008 0.000 1.207 822 L CA 0.009 54.852 54.840 0.006 0.000 0.855 822 L CB 0.196 42.258 42.059 0.005 0.000 1.114 822 L HN 0.442 nan 8.230 nan 0.000 0.485 823 L N 3.314 124.543 121.223 0.009 0.000 2.828 823 L HA 0.268 4.609 4.340 0.000 0.000 0.233 823 L C -0.512 176.365 176.870 0.012 0.000 1.250 823 L CA -0.345 54.502 54.840 0.012 0.000 1.125 823 L CB 0.342 42.408 42.059 0.011 0.000 1.432 823 L HN 0.596 nan 8.230 nan 0.000 0.444 824 C N 1.174 120.481 119.300 0.012 0.000 2.452 824 C HA 0.597 5.057 4.460 0.000 0.000 0.379 824 C C 0.419 175.417 174.990 0.013 0.000 1.275 824 C CA -0.494 58.530 59.018 0.010 0.000 2.056 824 C CB 1.381 29.125 27.740 0.008 0.000 2.506 824 C HN 0.469 nan 8.230 nan 0.000 0.560 825 V N 5.311 125.232 119.914 0.012 0.000 2.697 825 V HA 0.452 4.572 4.120 0.000 0.000 0.296 825 V C 0.024 176.124 176.094 0.010 0.000 1.140 825 V CA -0.164 62.145 62.300 0.014 0.000 0.921 825 V CB 1.921 33.755 31.823 0.020 0.000 1.036 825 V HN 1.067 nan 8.190 nan 0.000 0.438 826 S N 4.998 120.704 115.700 0.010 0.000 2.584 826 S HA 0.399 4.869 4.470 0.000 0.000 0.270 826 S C 0.069 174.674 174.600 0.008 0.000 1.346 826 S CA -0.137 58.067 58.200 0.007 0.000 1.018 826 S CB 0.680 63.885 63.200 0.008 0.000 0.899 826 S HN 1.083 nan 8.310 nan 0.000 0.542 827 E N 0.738 120.941 120.200 0.004 0.000 2.354 827 E HA 0.501 4.851 4.350 0.000 0.000 0.269 827 E C -0.160 176.447 176.600 0.011 0.000 1.036 827 E CA -0.890 55.513 56.400 0.005 0.000 0.876 827 E CB 0.621 30.321 29.700 -0.000 0.000 1.009 827 E HN 0.747 nan 8.360 nan 0.000 0.416 828 A N 2.550 125.379 122.820 0.015 0.000 2.401 828 A HA 0.191 4.511 4.320 0.000 0.000 0.259 828 A C 1.073 178.670 177.584 0.022 0.000 1.103 828 A CA -0.148 51.902 52.037 0.021 0.000 0.789 828 A CB 0.429 19.445 19.000 0.027 0.000 1.035 828 A HN 0.801 nan 8.150 nan 0.000 0.491 829 T N -0.933 113.634 114.554 0.023 0.000 3.067 829 T HA 0.218 4.568 4.350 0.000 0.000 0.257 829 T C 0.763 175.481 174.700 0.030 0.000 1.105 829 T CA 1.046 63.160 62.100 0.023 0.000 1.104 829 T CB -0.521 68.359 68.868 0.020 0.000 0.925 829 T HN 1.197 nan 8.240 nan 0.000 0.498 830 T N -0.381 114.194 114.554 0.034 0.000 2.816 830 T HA 0.696 5.046 4.350 0.000 0.000 0.299 830 T C -1.062 173.669 174.700 0.051 0.000 1.230 830 T CA -0.434 61.693 62.100 0.044 0.000 1.007 830 T CB 2.005 70.898 68.868 0.042 0.000 1.289 830 T HN 0.655 nan 8.240 nan 0.000 0.508 831 V N -1.727 118.227 119.914 0.067 0.000 3.049 831 V HA 0.924 5.044 4.120 0.000 0.000 0.309 831 V C -2.891 173.265 176.094 0.104 0.000 1.148 831 V CA -2.325 60.023 62.300 0.080 0.000 0.990 831 V CB 1.624 33.498 31.823 0.084 0.000 1.039 831 V HN 1.009 nan 8.190 nan 0.000 0.430 832 P HA 0.473 nan 4.420 nan 0.000 0.302 832 P C 0.275 177.701 177.300 0.211 0.000 1.307 832 P CA -0.413 62.774 63.100 0.145 0.000 0.754 832 P CB 0.639 32.411 31.700 0.120 0.000 1.298 833 L N -2.217 119.188 121.223 0.304 0.000 3.678 833 L HA -0.270 4.071 4.340 0.000 0.000 0.425 833 L C 0.897 178.040 176.870 0.456 0.000 1.240 833 L CA 0.638 55.678 54.840 0.334 0.000 0.876 833 L CB -2.570 39.591 42.059 0.170 0.000 1.766 833 L HN 0.645 nan 8.230 nan 0.000 0.917 834 S N -1.689 114.303 115.700 0.488 0.000 4.406 834 S HA 0.178 4.648 4.470 0.000 0.000 0.160 834 S C 1.111 175.965 174.600 0.422 0.000 0.981 834 S CA -0.099 58.391 58.200 0.482 0.000 1.170 834 S CB 0.246 63.607 63.200 0.269 0.000 1.909 834 S HN 0.188 nan 8.310 nan 0.000 0.836 835 R N 2.055 122.690 120.500 0.225 0.000 2.139 835 R HA 0.098 4.438 4.340 0.000 0.000 0.243 835 R C 1.532 177.849 176.300 0.029 0.000 1.145 835 R CA 2.247 58.424 56.100 0.129 0.000 0.976 835 R CB -1.436 28.907 30.300 0.073 0.000 0.866 835 R HN 0.716 nan 8.270 nan 0.000 0.449 836 N N -1.736 116.897 118.700 -0.112 0.000 2.512 836 N HA -0.087 4.653 4.740 0.000 0.000 0.183 836 N C 0.280 175.432 175.510 -0.596 0.000 1.073 836 N CA 0.838 53.627 53.050 -0.435 0.000 0.911 836 N CB 0.143 38.162 38.487 -0.781 0.000 0.964 836 N HN 0.315 nan 8.380 nan 0.000 0.447 837 Y N -1.718 118.569 120.300 -0.021 0.000 2.585 837 Y HA 0.284 4.834 4.550 0.000 0.000 0.272 837 Y C -0.152 175.583 175.900 -0.276 0.000 1.119 837 Y CA -0.524 57.478 58.100 -0.164 0.000 1.255 837 Y CB 0.240 38.465 38.460 -0.391 0.000 1.284 837 Y HN -0.157 nan 8.280 nan 0.000 0.499 838 F N 0.858 120.970 119.950 0.270 0.000 2.385 838 F HA 0.243 4.770 4.527 0.000 0.000 0.336 838 F C 1.222 177.076 175.800 0.092 0.000 1.100 838 F CA -0.490 57.627 58.000 0.196 0.000 1.116 838 F CB 0.966 40.078 39.000 0.187 0.000 1.166 838 F HN -0.119 nan 8.300 nan 0.000 0.511 839 L N 1.400 122.767 121.223 0.240 0.000 2.141 839 L HA -0.055 4.285 4.340 0.000 0.000 0.209 839 L C -0.253 176.399 176.870 -0.364 0.000 1.094 839 L CA 1.467 56.272 54.840 -0.058 0.000 0.763 839 L CB 0.048 42.118 42.059 0.018 0.000 0.908 839 L HN 0.458 nan 8.230 nan 0.000 0.437 840 F N 0.000 120.068 119.950 0.197 0.000 2.286 840 F HA 0.000 4.527 4.527 0.000 0.000 0.279 840 F CA 0.000 58.076 58.000 0.127 0.000 1.383 840 F CB 0.000 39.054 39.000 0.090 0.000 1.145 840 F HN 0.000 nan 8.300 nan 0.000 0.574