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 3kx2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGSKRRFSSE HPDPVETSIP EQAAEIAEEL SKQHPLPSEE PLVHHDAGEF DATA SEQUENCE KGLQRHHTSA EEAQKLEDGK INPFTGREFT PKYVDILKIR RELPVHAQRD DATA SEQUENCE EFLKLYQNNQ IMVFVGETGS GKTTQIPQFV LFDEMPHLEN TQVACTQPRR DATA SEQUENCE VAAMSVAQRV AEEMDVKLGE EVGYSIRFEN KTSNKTILKY MTDGMLLREA DATA SEQUENCE MEDHDLSRYS CIILDEAHER TLATDILMGL LKQVVKRRPD LKIIIMSATL DATA SEQUENCE DAEKFQRYFN DAPLLAVPGR TYPVELYYTP EFQRDYLDSA IRTVLQIHAT DATA SEQUENCE EEAGDILLFL TGEDEIEDAV RKISLEGDQL VREEGCGPLS VYPLYGSLPP DATA SEQUENCE HQQQRIFEPA PESHNGRPGR KVVISTNIAE TSLTIDGIVY VVDPGFSKQK DATA SEQUENCE VYNPRIRVES LLVSPISKAS AQQRAGRAGR TRPGKCFRLY TEEAFQKELI DATA SEQUENCE EQSYPEILRS NLSSTVLELK KLGIDDLVHF DFMDPPAPET MMRALEELNY DATA SEQUENCE LACLDDEGNL TPLGRLASQF PLDPMLAVML IGSFEFQCSQ EILTIVAMLS DATA SEQUENCE VPNVFIRPTK DKKRADDAKN IFAHPDGDHI TLLNVYHAFK SDEAYEYGIH DATA SEQUENCE KWCRDHYLNY RSLSAADNIR SQLERLMNRY NLELNTTDYE SPKYFDNIRK DATA SEQUENCE ALASGFFMQV AKKRSGAKGY ITVKDNQDVL IHPSTVLGHD AEWVIYNEFV DATA SEQUENCE LTSKNYIRTV TSVRPEWLIE IAPAYYDLSN FQKGDVKLSL ERIKEKVDRL DATA SEQUENCE NELKQ 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 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.032 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 G N 2.192 110.977 108.800 -0.026 0.000 2.511 2 G HA2 -0.031 3.933 3.960 0.006 0.000 0.216 2 G HA3 -0.031 3.933 3.960 0.006 0.000 0.216 2 G C 0.635 175.521 174.900 -0.022 0.000 1.218 2 G CA 1.210 46.298 45.100 -0.020 0.000 0.788 2 G HN 0.447 nan 8.290 nan 0.000 0.560 3 S N 0.077 115.759 115.700 -0.031 0.000 2.632 3 S HA 0.421 4.895 4.470 0.006 0.000 0.271 3 S C 0.201 174.772 174.600 -0.049 0.000 1.260 3 S CA -0.672 57.508 58.200 -0.035 0.000 1.010 3 S CB 1.450 64.627 63.200 -0.037 0.000 0.965 3 S HN 0.170 nan 8.310 nan 0.000 0.534 4 K N 2.293 122.666 120.400 -0.046 0.000 2.447 4 K HA 0.011 4.335 4.320 0.006 0.000 0.281 4 K C 0.381 176.908 176.600 -0.121 0.000 1.031 4 K CA 0.099 56.351 56.287 -0.059 0.000 1.019 4 K CB 0.141 32.620 32.500 -0.034 0.000 0.918 4 K HN 0.569 nan 8.250 nan 0.000 0.476 5 R N 3.983 124.374 120.500 -0.183 0.000 2.570 5 R HA -0.005 4.339 4.340 0.006 0.000 0.277 5 R C -0.249 175.745 176.300 -0.510 0.000 1.039 5 R CA 0.287 56.174 56.100 -0.355 0.000 1.065 5 R CB 0.496 30.521 30.300 -0.459 0.000 0.964 5 R HN 0.483 nan 8.270 nan 0.000 0.428 6 R N 3.333 123.568 120.500 -0.442 0.000 2.404 6 R HA 0.286 4.629 4.340 0.006 0.000 0.291 6 R C -0.833 175.158 176.300 -0.515 0.000 1.025 6 R CA -0.331 55.565 56.100 -0.341 0.000 0.991 6 R CB 0.830 31.048 30.300 -0.137 0.000 1.053 6 R HN 0.382 nan 8.270 nan 0.000 0.479 7 F N -0.151 119.826 119.950 0.046 0.000 2.556 7 F HA 0.523 5.054 4.527 0.006 0.000 0.327 7 F C 0.421 176.257 175.800 0.059 0.000 1.059 7 F CA -0.436 57.602 58.000 0.064 0.000 0.953 7 F CB 2.127 41.154 39.000 0.046 0.000 1.227 7 F HN 0.599 nan 8.300 nan 0.000 0.478 8 S N -1.530 114.342 115.700 0.287 0.000 2.636 8 S HA 0.274 4.747 4.470 0.006 0.000 0.268 8 S C 0.294 174.946 174.600 0.087 0.000 1.159 8 S CA -0.213 58.071 58.200 0.140 0.000 0.815 8 S CB 0.901 64.156 63.200 0.092 0.000 1.130 8 S HN 0.712 nan 8.310 nan 0.000 0.471 9 S N 0.476 116.193 115.700 0.028 0.000 2.419 9 S HA -0.174 4.299 4.470 0.006 0.000 0.233 9 S C 1.348 175.926 174.600 -0.038 0.000 1.016 9 S CA 1.303 59.504 58.200 0.002 0.000 0.974 9 S CB -0.870 62.325 63.200 -0.009 0.000 0.786 9 S HN 0.814 nan 8.310 nan 0.000 0.492 10 E N 0.759 120.888 120.200 -0.118 0.000 2.170 10 E HA -0.061 4.293 4.350 0.006 0.000 0.191 10 E C -0.025 176.318 176.600 -0.428 0.000 0.981 10 E CA 0.643 56.862 56.400 -0.301 0.000 0.830 10 E CB -0.361 29.076 29.700 -0.438 0.000 0.775 10 E HN 0.703 nan 8.360 nan 0.000 0.470 11 H N 1.355 120.497 119.070 0.119 0.000 2.569 11 H HA 0.403 4.963 4.556 0.006 0.000 0.247 11 H C -2.542 172.946 175.328 0.266 0.000 1.346 11 H CA -2.406 53.745 56.048 0.171 0.000 1.502 11 H CB 0.934 30.784 29.762 0.145 0.000 1.512 11 H HN 0.094 nan 8.280 nan 0.000 0.502 12 P HA -0.004 nan 4.420 nan 0.000 0.276 12 P C 0.393 177.669 177.300 -0.040 0.000 1.252 12 P CA -0.432 62.750 63.100 0.136 0.000 0.802 12 P CB 1.176 32.905 31.700 0.049 0.000 1.035 13 D N 2.027 122.137 120.400 -0.483 0.000 2.358 13 D HA 0.043 4.687 4.640 0.006 0.000 0.258 13 D C -1.304 174.720 176.300 -0.460 0.000 1.223 13 D CA -2.082 51.232 54.000 -1.144 0.000 0.886 13 D CB 0.436 40.559 40.800 -1.128 0.000 1.120 13 D HN 0.149 nan 8.370 nan 0.000 0.482 14 P HA -0.148 nan 4.420 nan 0.000 0.218 14 P C 1.509 178.749 177.300 -0.101 0.000 1.148 14 P CA 0.508 63.553 63.100 -0.092 0.000 0.822 14 P CB 0.438 32.141 31.700 0.004 0.000 0.784 15 V N 0.958 120.776 119.914 -0.160 0.000 2.379 15 V HA -0.173 3.951 4.120 0.006 0.000 0.245 15 V C 2.723 178.754 176.094 -0.105 0.000 1.044 15 V CA 1.891 64.129 62.300 -0.104 0.000 1.036 15 V CB -1.294 30.473 31.823 -0.094 0.000 0.664 15 V HN 0.182 nan 8.190 nan 0.000 0.453 16 E N 0.712 120.819 120.200 -0.155 0.000 2.274 16 E HA -0.175 4.178 4.350 0.006 0.000 0.194 16 E C 1.777 178.321 176.600 -0.093 0.000 0.996 16 E CA 1.537 57.867 56.400 -0.118 0.000 0.840 16 E CB 0.056 29.674 29.700 -0.137 0.000 0.772 16 E HN 0.753 nan 8.360 nan 0.000 0.491 17 T N -1.681 112.815 114.554 -0.097 0.000 3.145 17 T HA 0.143 4.497 4.350 0.006 0.000 0.255 17 T C 0.508 175.170 174.700 -0.063 0.000 1.039 17 T CA -0.231 61.825 62.100 -0.073 0.000 0.928 17 T CB 0.577 69.408 68.868 -0.063 0.000 1.029 17 T HN -0.031 nan 8.240 nan 0.000 0.554 18 S N 0.744 116.411 115.700 -0.056 0.000 2.465 18 S HA 0.402 4.875 4.470 0.006 0.000 0.279 18 S C 1.192 175.762 174.600 -0.051 0.000 1.201 18 S CA -0.826 57.354 58.200 -0.034 0.000 1.053 18 S CB -0.146 63.048 63.200 -0.010 0.000 0.953 18 S HN 0.398 nan 8.310 nan 0.000 0.488 19 I N 6.245 126.786 120.570 -0.048 0.000 2.252 19 I HA -0.017 4.157 4.170 0.006 0.000 0.245 19 I C -0.882 175.158 176.117 -0.129 0.000 1.102 19 I CA 0.609 61.833 61.300 -0.126 0.000 1.385 19 I CB -1.030 36.847 38.000 -0.205 0.000 1.064 19 I HN 0.501 nan 8.210 nan 0.000 0.414 20 P HA -0.212 nan 4.420 nan 0.000 0.215 20 P C 1.409 178.673 177.300 -0.060 0.000 1.153 20 P CA 1.357 64.424 63.100 -0.055 0.000 0.853 20 P CB 0.032 31.735 31.700 0.004 0.000 0.788 21 E N 0.482 120.661 120.200 -0.036 0.000 2.097 21 E HA -0.259 4.095 4.350 0.006 0.000 0.196 21 E C 2.005 178.585 176.600 -0.034 0.000 1.000 21 E CA 1.739 58.124 56.400 -0.025 0.000 0.804 21 E CB -0.901 28.785 29.700 -0.023 0.000 0.740 21 E HN 0.266 nan 8.360 nan 0.000 0.454 22 Q N -0.322 119.437 119.800 -0.068 0.000 2.124 22 Q HA -0.128 4.216 4.340 0.006 0.000 0.202 22 Q C 2.256 178.223 176.000 -0.055 0.000 0.977 22 Q CA 1.553 57.315 55.803 -0.069 0.000 0.850 22 Q CB -0.276 28.395 28.738 -0.112 0.000 0.901 22 Q HN 0.442 nan 8.270 nan 0.000 0.429 23 A N 1.199 123.935 122.820 -0.140 0.000 1.877 23 A HA -0.123 4.201 4.320 0.006 0.000 0.216 23 A C 2.338 180.000 177.584 0.129 0.000 1.186 23 A CA 1.571 53.525 52.037 -0.138 0.000 0.620 23 A CB -0.894 17.809 19.000 -0.494 0.000 0.822 23 A HN 0.398 nan 8.150 nan 0.000 0.443 24 A N -0.191 122.670 122.820 0.068 0.000 1.940 24 A HA -0.212 4.112 4.320 0.006 0.000 0.219 24 A C 1.912 179.558 177.584 0.104 0.000 1.176 24 A CA 1.798 53.897 52.037 0.103 0.000 0.631 24 A CB -0.564 18.471 19.000 0.059 0.000 0.814 24 A HN 0.660 nan 8.150 nan 0.000 0.446 25 E N -0.440 119.805 120.200 0.074 0.000 2.072 25 E HA -0.131 4.223 4.350 0.006 0.000 0.191 25 E C 1.874 178.528 176.600 0.089 0.000 0.985 25 E CA 1.135 57.575 56.400 0.066 0.000 0.801 25 E CB -0.270 29.453 29.700 0.038 0.000 0.750 25 E HN 0.710 nan 8.360 nan 0.000 0.452 26 I N 1.071 121.718 120.570 0.129 0.000 2.226 26 I HA -0.274 3.900 4.170 0.006 0.000 0.245 26 I C 2.529 178.725 176.117 0.132 0.000 1.100 26 I CA 0.986 62.375 61.300 0.149 0.000 1.374 26 I CB -0.276 37.880 38.000 0.260 0.000 1.057 26 I HN 0.092 nan 8.210 nan 0.000 0.413 27 A N 0.174 123.100 122.820 0.177 0.000 1.898 27 A HA -0.256 4.068 4.320 0.006 0.000 0.216 27 A C 2.304 179.963 177.584 0.125 0.000 1.181 27 A CA 1.828 53.954 52.037 0.148 0.000 0.620 27 A CB -0.617 18.514 19.000 0.217 0.000 0.819 27 A HN 0.495 nan 8.150 nan 0.000 0.442 28 E N -0.456 119.814 120.200 0.116 0.000 2.077 28 E HA -0.231 4.122 4.350 0.006 0.000 0.193 28 E C 2.041 178.689 176.600 0.079 0.000 0.989 28 E CA 1.223 57.681 56.400 0.097 0.000 0.800 28 E CB -0.133 29.612 29.700 0.076 0.000 0.746 28 E HN 0.626 nan 8.360 nan 0.000 0.452 29 E N 0.518 120.760 120.200 0.070 0.000 2.106 29 E HA -0.164 4.190 4.350 0.006 0.000 0.192 29 E C 2.265 178.899 176.600 0.056 0.000 0.984 29 E CA 0.613 57.046 56.400 0.055 0.000 0.806 29 E CB -0.040 29.689 29.700 0.048 0.000 0.750 29 E HN 0.374 nan 8.360 nan 0.000 0.458 30 L N 0.349 121.607 121.223 0.059 0.000 2.017 30 L HA -0.176 4.167 4.340 0.006 0.000 0.208 30 L C 2.662 179.576 176.870 0.074 0.000 1.073 30 L CA 1.135 56.008 54.840 0.054 0.000 0.745 30 L CB -0.396 41.682 42.059 0.032 0.000 0.894 30 L HN 0.054 nan 8.230 nan 0.000 0.432 31 S N -0.437 115.314 115.700 0.085 0.000 2.368 31 S HA -0.223 4.251 4.470 0.006 0.000 0.225 31 S C 1.898 176.547 174.600 0.083 0.000 1.030 31 S CA 1.241 59.498 58.200 0.095 0.000 0.999 31 S CB -0.194 63.083 63.200 0.128 0.000 0.844 31 S HN 0.281 nan 8.310 nan 0.000 0.459 32 K N 0.468 120.908 120.400 0.067 0.000 2.519 32 K HA -0.044 4.279 4.320 0.006 0.000 0.196 32 K C 1.913 178.530 176.600 0.028 0.000 1.041 32 K CA 0.658 56.972 56.287 0.044 0.000 0.954 32 K CB 0.012 32.535 32.500 0.038 0.000 0.774 32 K HN 0.153 nan 8.250 nan 0.000 0.480 33 Q N -0.930 118.901 119.800 0.051 0.000 2.376 33 Q HA 0.045 4.388 4.340 0.006 0.000 0.206 33 Q C -0.291 175.710 176.000 0.002 0.000 0.921 33 Q CA 0.789 56.617 55.803 0.042 0.000 0.911 33 Q CB 0.666 29.462 28.738 0.098 0.000 1.032 33 Q HN 0.218 nan 8.270 nan 0.000 0.510 34 H N -0.328 118.743 119.070 0.003 0.000 2.562 34 H HA 0.251 4.811 4.556 0.006 0.000 0.230 34 H C -2.410 172.915 175.328 -0.004 0.000 1.415 34 H CA -1.821 54.225 56.048 -0.004 0.000 1.454 34 H CB 0.968 30.724 29.762 -0.011 0.000 1.716 34 H HN 0.065 nan 8.280 nan 0.000 0.538 35 P HA -0.075 nan 4.420 nan 0.000 0.256 35 P C 0.746 178.068 177.300 0.037 0.000 1.173 35 P CA 0.211 63.332 63.100 0.035 0.000 0.768 35 P CB 0.266 31.970 31.700 0.006 0.000 0.758 36 L N 3.854 125.095 121.223 0.031 0.000 2.483 36 L HA 0.405 4.749 4.340 0.006 0.000 0.276 36 L C -1.851 175.022 176.870 0.005 0.000 1.213 36 L CA -1.728 53.117 54.840 0.007 0.000 0.843 36 L CB -0.861 41.178 42.059 -0.034 0.000 1.107 36 L HN 0.209 nan 8.230 nan 0.000 0.487 37 P HA 0.206 nan 4.420 nan 0.000 0.000 37 P C -0.615 176.682 177.300 -0.006 0.000 0.000 37 P CA -0.587 62.511 63.100 -0.003 0.000 0.000 37 P CB 0.508 32.205 31.700 -0.005 0.000 0.000 38 S N -1.490 114.206 115.700 -0.006 0.000 2.687 38 S HA 0.242 4.716 4.470 0.006 0.000 0.283 38 S C 0.053 174.647 174.600 -0.011 0.000 1.170 38 S CA -0.875 57.320 58.200 -0.007 0.000 1.008 38 S CB 0.536 63.730 63.200 -0.008 0.000 1.026 38 S HN 0.341 nan 8.310 nan 0.000 0.541 39 E N 1.986 122.179 120.200 -0.012 0.000 2.708 39 E HA -0.072 4.282 4.350 0.006 0.000 0.260 39 E C 0.381 176.971 176.600 -0.016 0.000 0.937 39 E CA 0.482 56.874 56.400 -0.015 0.000 0.953 39 E CB 0.211 29.899 29.700 -0.020 0.000 0.915 39 E HN 0.784 nan 8.360 nan 0.000 0.487 40 E N 4.526 124.717 120.200 -0.015 0.000 2.452 40 E HA 0.101 4.454 4.350 0.006 0.000 0.261 40 E C -2.008 174.584 176.600 -0.013 0.000 0.987 40 E CA -1.310 55.082 56.400 -0.012 0.000 0.926 40 E CB -0.154 29.540 29.700 -0.011 0.000 0.934 40 E HN 0.138 nan 8.360 nan 0.000 0.452 41 P HA -0.016 nan 4.420 nan 0.000 0.269 41 P C -0.185 177.116 177.300 0.001 0.000 1.209 41 P CA -0.080 63.017 63.100 -0.005 0.000 0.776 41 P CB 0.680 32.381 31.700 0.001 0.000 0.876 42 L N 1.472 122.697 121.223 0.004 0.000 2.476 42 L HA 0.289 4.633 4.340 0.006 0.000 0.264 42 L C 0.539 177.446 176.870 0.063 0.000 1.224 42 L CA -0.220 54.633 54.840 0.023 0.000 0.821 42 L CB 0.377 42.445 42.059 0.014 0.000 1.101 42 L HN 0.152 nan 8.230 nan 0.000 0.488 43 V N -0.130 119.836 119.914 0.087 0.000 2.888 43 V HA 0.460 4.584 4.120 0.006 0.000 0.309 43 V C -1.022 175.177 176.094 0.176 0.000 1.114 43 V CA -0.600 61.757 62.300 0.095 0.000 0.940 43 V CB 2.129 33.973 31.823 0.034 0.000 1.021 43 V HN 1.006 nan 8.190 nan 0.000 0.426 44 H N 0.737 119.857 119.070 0.083 0.000 2.960 44 H HA 0.661 5.220 4.556 0.006 0.000 0.338 44 H C -1.134 174.304 175.328 0.183 0.000 1.261 44 H CA -0.878 55.261 56.048 0.153 0.000 1.136 44 H CB 1.584 31.467 29.762 0.202 0.000 1.875 44 H HN 0.702 nan 8.280 nan 0.000 0.550 45 H N 0.703 119.899 119.070 0.209 0.000 2.466 45 H HA 0.348 4.910 4.556 0.010 0.000 0.338 45 H C -1.410 174.084 175.328 0.277 0.000 1.091 45 H CA -0.618 55.502 56.048 0.119 0.000 1.207 45 H CB 1.709 31.530 29.762 0.098 0.000 1.466 45 H HN 0.772 nan 8.280 nan 0.000 0.493 46 D N 3.547 123.667 120.400 -0.466 0.000 2.602 46 D HA 0.317 4.961 4.640 0.006 0.000 0.245 46 D C -0.910 175.138 176.300 -0.421 0.000 1.325 46 D CA -0.310 53.536 54.000 -0.256 0.000 0.952 46 D CB 1.130 41.954 40.800 0.040 0.000 1.317 46 D HN 0.623 nan 8.370 nan 0.000 0.577 47 A N 2.298 124.904 122.820 -0.358 0.000 2.631 47 A HA 0.614 4.937 4.320 0.006 0.000 0.294 47 A C 1.329 178.885 177.584 -0.047 0.000 1.156 47 A CA 0.223 52.163 52.037 -0.162 0.000 0.963 47 A CB -0.231 18.740 19.000 -0.048 0.000 1.202 47 A HN 1.115 nan 8.150 nan 0.000 0.523 48 G N 0.566 109.353 108.800 -0.022 0.000 2.179 48 G HA2 -0.322 3.642 3.960 0.006 0.000 0.260 48 G HA3 -0.322 3.642 3.960 0.006 0.000 0.260 48 G C 0.736 175.643 174.900 0.011 0.000 0.977 48 G CA 0.567 45.673 45.100 0.010 0.000 0.641 48 G HN 0.729 nan 8.290 nan 0.000 0.533 49 E N -0.315 119.876 120.200 -0.014 0.000 2.338 49 E HA 0.006 4.360 4.350 0.006 0.000 0.197 49 E C 1.599 178.076 176.600 -0.205 0.000 1.007 49 E CA 0.785 57.115 56.400 -0.116 0.000 0.849 49 E CB -0.265 29.326 29.700 -0.182 0.000 0.774 49 E HN 0.530 nan 8.360 nan 0.000 0.506 50 F N 1.374 121.321 119.950 -0.005 0.000 2.749 50 F HA 0.158 4.690 4.527 0.007 0.000 0.300 50 F C 0.833 176.636 175.800 0.005 0.000 1.103 50 F CA -0.161 57.841 58.000 0.003 0.000 1.342 50 F CB 0.318 39.309 39.000 -0.016 0.000 1.098 50 F HN -0.303 nan 8.300 nan 0.000 0.586 51 K N 0.645 121.123 120.400 0.130 0.000 2.524 51 K HA 0.198 4.522 4.320 0.006 0.000 0.279 51 K C 1.286 177.928 176.600 0.070 0.000 0.993 51 K CA 0.972 57.306 56.287 0.079 0.000 1.030 51 K CB -0.104 32.421 32.500 0.041 0.000 0.891 51 K HN 0.388 nan 8.250 nan 0.000 0.488 52 G N 1.152 109.991 108.800 0.065 0.000 2.213 52 G HA2 -0.251 3.713 3.960 0.006 0.000 0.236 52 G HA3 -0.251 3.713 3.960 0.006 0.000 0.236 52 G C -0.314 174.637 174.900 0.086 0.000 0.991 52 G CA -0.347 44.788 45.100 0.059 0.000 0.629 52 G HN 0.389 nan 8.290 nan 0.000 0.517 53 L N 1.097 122.399 121.223 0.132 0.000 2.275 53 L HA 0.632 4.976 4.340 0.006 0.000 0.288 53 L C 0.369 177.314 176.870 0.125 0.000 1.046 53 L CA -0.371 54.569 54.840 0.167 0.000 0.805 53 L CB 1.853 44.091 42.059 0.298 0.000 1.193 53 L HN 0.365 nan 8.230 nan 0.000 0.426 54 Q N 4.016 123.888 119.800 0.120 0.000 2.325 54 Q HA 0.343 4.686 4.340 0.006 0.000 0.262 54 Q C -0.175 175.897 176.000 0.120 0.000 0.968 54 Q CA -0.828 55.040 55.803 0.108 0.000 0.877 54 Q CB 0.992 29.798 28.738 0.113 0.000 1.253 54 Q HN 0.487 nan 8.270 nan 0.000 0.448 55 R N 3.103 123.614 120.500 0.018 0.000 2.504 55 R HA -0.127 4.217 4.340 0.006 0.000 0.291 55 R C -0.530 175.704 176.300 -0.110 0.000 0.974 55 R CA 1.249 57.264 56.100 -0.143 0.000 1.077 55 R CB -0.072 30.035 30.300 -0.321 0.000 0.926 55 R HN 1.046 nan 8.270 nan 0.000 0.407 56 H N 1.193 120.283 119.070 0.033 0.000 3.211 56 H HA -0.209 4.351 4.556 0.006 0.000 0.240 56 H C -0.438 174.657 175.328 -0.388 0.000 1.148 56 H CA 1.175 57.143 56.048 -0.133 0.000 1.160 56 H CB -1.240 28.385 29.762 -0.228 0.000 1.232 56 H HN 0.798 nan 8.280 nan 0.000 0.321 57 H N -1.142 118.014 119.070 0.144 0.000 2.665 57 H HA 0.246 4.806 4.556 0.006 0.000 0.248 57 H C 0.144 175.527 175.328 0.092 0.000 1.175 57 H CA 0.177 56.284 56.048 0.099 0.000 0.952 57 H CB 1.062 30.866 29.762 0.069 0.000 1.883 57 H HN 0.110 nan 8.280 nan 0.000 0.623 58 T N 0.937 115.595 114.554 0.173 0.000 2.882 58 T HA 0.421 4.775 4.350 0.006 0.000 0.287 58 T C 0.321 175.087 174.700 0.111 0.000 1.014 58 T CA -0.381 61.813 62.100 0.156 0.000 1.049 58 T CB 0.893 69.876 68.868 0.192 0.000 1.001 58 T HN 0.460 nan 8.240 nan 0.000 0.525 59 S N 0.639 116.387 115.700 0.081 0.000 2.634 59 S HA 0.705 5.178 4.470 0.006 0.000 0.296 59 S C 1.242 175.835 174.600 -0.011 0.000 1.104 59 S CA -0.358 57.864 58.200 0.037 0.000 0.920 59 S CB 1.466 64.685 63.200 0.032 0.000 1.111 59 S HN 0.716 nan 8.310 nan 0.000 0.493 60 A N 0.862 123.651 122.820 -0.051 0.000 1.902 60 A HA -0.074 4.250 4.320 0.006 0.000 0.217 60 A C 2.006 179.532 177.584 -0.097 0.000 1.181 60 A CA 1.765 53.729 52.037 -0.121 0.000 0.623 60 A CB -1.185 17.737 19.000 -0.130 0.000 0.818 60 A HN 0.983 nan 8.150 nan 0.000 0.443 61 E N -0.095 120.074 120.200 -0.051 0.000 2.058 61 E HA -0.257 4.097 4.350 0.006 0.000 0.194 61 E C 1.942 178.516 176.600 -0.044 0.000 0.997 61 E CA 1.655 58.031 56.400 -0.039 0.000 0.801 61 E CB -0.159 29.532 29.700 -0.016 0.000 0.746 61 E HN 0.768 nan 8.360 nan 0.000 0.450 62 E N 0.054 120.239 120.200 -0.025 0.000 2.085 62 E HA -0.204 4.150 4.350 0.006 0.000 0.194 62 E C 2.026 178.591 176.600 -0.059 0.000 0.994 62 E CA 1.011 57.405 56.400 -0.009 0.000 0.801 62 E CB -0.157 29.568 29.700 0.042 0.000 0.743 62 E HN 0.324 nan 8.360 nan 0.000 0.453 63 A N 1.379 124.116 122.820 -0.138 0.000 1.877 63 A HA -0.263 4.061 4.320 0.006 0.000 0.216 63 A C 2.095 179.440 177.584 -0.398 0.000 1.186 63 A CA 1.466 53.250 52.037 -0.421 0.000 0.620 63 A CB -0.542 18.115 19.000 -0.572 0.000 0.822 63 A HN 0.180 nan 8.150 nan 0.000 0.443 64 Q N -0.741 118.920 119.800 -0.231 0.000 2.112 64 Q HA -0.276 4.068 4.340 0.006 0.000 0.206 64 Q C 2.157 178.108 176.000 -0.081 0.000 0.987 64 Q CA 1.870 57.593 55.803 -0.134 0.000 0.858 64 Q CB -0.248 28.442 28.738 -0.080 0.000 0.905 64 Q HN 0.552 nan 8.270 nan 0.000 0.420 65 K N 0.670 121.031 120.400 -0.066 0.000 2.020 65 K HA -0.170 4.154 4.320 0.006 0.000 0.212 65 K C 1.890 178.487 176.600 -0.005 0.000 1.050 65 K CA 1.200 57.471 56.287 -0.027 0.000 0.929 65 K CB -0.302 32.186 32.500 -0.019 0.000 0.714 65 K HN 0.061 nan 8.250 nan 0.000 0.443 66 L N 1.181 122.393 121.223 -0.019 0.000 2.017 66 L HA -0.151 4.193 4.340 0.006 0.000 0.208 66 L C 2.108 179.081 176.870 0.172 0.000 1.073 66 L CA 1.866 56.736 54.840 0.051 0.000 0.745 66 L CB -1.315 40.790 42.059 0.075 0.000 0.894 66 L HN 0.350 nan 8.230 nan 0.000 0.432 67 E N -0.360 119.902 120.200 0.103 0.000 2.153 67 E HA -0.213 4.140 4.350 0.006 0.000 0.194 67 E C 1.527 178.173 176.600 0.075 0.000 0.988 67 E CA 1.145 57.637 56.400 0.153 0.000 0.811 67 E CB -0.034 29.714 29.700 0.080 0.000 0.746 67 E HN 0.467 nan 8.360 nan 0.000 0.466 68 D N 0.347 120.779 120.400 0.054 0.000 2.317 68 D HA 0.000 4.644 4.640 0.006 0.000 0.211 68 D C 1.006 177.362 176.300 0.093 0.000 0.966 68 D CA 0.447 54.474 54.000 0.045 0.000 0.876 68 D CB -0.317 40.493 40.800 0.016 0.000 0.927 68 D HN 0.098 nan 8.370 nan 0.000 0.519 69 G N 1.194 110.080 108.800 0.142 0.000 2.647 69 G HA2 0.021 3.984 3.960 0.006 0.000 0.271 69 G HA3 0.021 3.984 3.960 0.006 0.000 0.271 69 G C 1.180 176.226 174.900 0.243 0.000 1.300 69 G CA -0.183 45.010 45.100 0.155 0.000 0.997 69 G HN 0.067 nan 8.290 nan 0.000 0.533 70 K N -1.021 119.477 120.400 0.163 0.000 2.242 70 K HA 0.135 4.459 4.320 0.006 0.000 0.200 70 K C 0.852 177.506 176.600 0.090 0.000 1.050 70 K CA 0.255 56.634 56.287 0.153 0.000 0.981 70 K CB 0.307 32.850 32.500 0.073 0.000 0.795 70 K HN 0.378 nan 8.250 nan 0.000 0.477 71 I N 3.037 123.590 120.570 -0.029 0.000 2.404 71 I HA 0.233 4.406 4.170 0.006 0.000 0.293 71 I C -1.168 174.634 176.117 -0.526 0.000 0.992 71 I CA -0.678 60.475 61.300 -0.246 0.000 1.149 71 I CB 1.645 39.556 38.000 -0.149 0.000 1.315 71 I HN 0.022 nan 8.210 nan 0.000 0.446 72 N N 9.678 127.762 118.700 -1.027 0.000 2.434 72 N HA 0.113 4.856 4.740 0.006 0.000 0.268 72 N C -1.988 173.265 175.510 -0.428 0.000 1.256 72 N CA -1.415 50.939 53.050 -1.160 0.000 0.914 72 N CB 1.166 39.025 38.487 -1.048 0.000 1.088 72 N HN 0.394 nan 8.380 nan 0.000 0.478 73 P HA -0.070 nan 4.420 nan 0.000 0.216 73 P C 0.793 177.989 177.300 -0.172 0.000 1.150 73 P CA 1.304 64.166 63.100 -0.397 0.000 0.837 73 P CB 0.018 31.193 31.700 -0.875 0.000 0.786 74 F N -0.595 119.398 119.950 0.071 0.000 2.456 74 F HA -0.006 4.523 4.527 0.003 0.000 0.298 74 F C 1.790 177.615 175.800 0.042 0.000 1.104 74 F CA 0.982 59.013 58.000 0.051 0.000 1.435 74 F CB -1.279 37.654 39.000 -0.110 0.000 1.078 74 F HN -0.021 nan 8.300 nan 0.000 0.546 75 T N -3.528 111.056 114.554 0.051 0.000 2.768 75 T HA 0.607 4.961 4.350 0.006 0.000 0.268 75 T C 1.246 175.611 174.700 -0.557 0.000 0.969 75 T CA -0.122 61.849 62.100 -0.215 0.000 1.008 75 T CB 1.054 69.813 68.868 -0.183 0.000 1.371 75 T HN -0.049 nan 8.240 nan 0.000 0.587 76 G N -0.602 107.760 108.800 -0.729 0.000 3.126 76 G HA2 0.244 4.208 3.960 0.006 0.000 0.224 76 G HA3 0.244 4.208 3.960 0.006 0.000 0.224 76 G C 0.493 175.227 174.900 -0.277 0.000 1.142 76 G CA -0.513 44.261 45.100 -0.543 0.000 0.759 76 G HN 0.610 nan 8.290 nan 0.000 0.550 77 R N 0.703 121.035 120.500 -0.280 0.000 2.500 77 R HA 0.370 4.714 4.340 0.006 0.000 0.275 77 R C -0.395 175.752 176.300 -0.255 0.000 1.051 77 R CA -0.676 55.296 56.100 -0.214 0.000 1.088 77 R CB 1.183 31.382 30.300 -0.169 0.000 1.063 77 R HN 0.141 nan 8.270 nan 0.000 0.511 78 E N 1.608 121.714 120.200 -0.156 0.000 2.415 78 E HA -0.053 4.300 4.350 0.006 0.000 0.263 78 E C -0.904 175.639 176.600 -0.094 0.000 0.995 78 E CA -0.018 56.316 56.400 -0.111 0.000 0.915 78 E CB 0.299 29.980 29.700 -0.031 0.000 0.951 78 E HN 0.196 nan 8.360 nan 0.000 0.449 79 F N 3.221 123.129 119.950 -0.070 0.000 2.572 79 F HA 0.056 4.584 4.527 0.003 0.000 0.370 79 F C 1.129 176.924 175.800 -0.009 0.000 1.103 79 F CA 0.107 58.044 58.000 -0.105 0.000 1.286 79 F CB 0.456 39.351 39.000 -0.175 0.000 1.105 79 F HN 0.450 nan 8.300 nan 0.000 0.583 80 T N 1.784 116.509 114.554 0.285 0.000 2.874 80 T HA 0.324 4.678 4.350 0.006 0.000 0.281 80 T C -1.930 172.885 174.700 0.191 0.000 0.994 80 T CA -1.801 60.412 62.100 0.188 0.000 1.015 80 T CB 1.606 70.562 68.868 0.147 0.000 1.028 80 T HN 0.258 nan 8.240 nan 0.000 0.523 81 P HA -0.063 nan 4.420 nan 0.000 0.215 81 P C 1.580 178.926 177.300 0.077 0.000 1.153 81 P CA 1.006 64.159 63.100 0.089 0.000 0.853 81 P CB 0.053 31.788 31.700 0.059 0.000 0.788 82 K N -0.958 119.491 120.400 0.082 0.000 2.074 82 K HA -0.250 4.074 4.320 0.006 0.000 0.209 82 K C 2.232 178.870 176.600 0.063 0.000 1.048 82 K CA 1.610 57.934 56.287 0.061 0.000 0.926 82 K CB -0.746 31.794 32.500 0.068 0.000 0.713 82 K HN 0.079 nan 8.250 nan 0.000 0.444 83 Y N 1.298 121.605 120.300 0.013 0.000 2.128 83 Y HA -0.254 4.299 4.550 0.006 0.000 0.284 83 Y C 1.992 177.834 175.900 -0.097 0.000 1.154 83 Y CA 1.974 60.053 58.100 -0.035 0.000 1.149 83 Y CB -0.450 37.993 38.460 -0.029 0.000 0.976 83 Y HN 0.008 nan 8.280 nan 0.000 0.505 84 V N -1.325 118.554 119.914 -0.059 0.000 2.490 84 V HA -0.211 3.912 4.120 0.006 0.000 0.250 84 V C 1.777 177.763 176.094 -0.181 0.000 1.061 84 V CA 2.359 64.559 62.300 -0.166 0.000 1.064 84 V CB -0.724 31.098 31.823 -0.002 0.000 0.670 84 V HN 0.327 nan 8.190 nan 0.000 0.461 85 D N 0.701 121.034 120.400 -0.111 0.000 2.117 85 D HA -0.013 4.630 4.640 0.006 0.000 0.198 85 D C 2.115 178.337 176.300 -0.129 0.000 0.982 85 D CA 1.909 55.852 54.000 -0.094 0.000 0.828 85 D CB -0.236 40.534 40.800 -0.050 0.000 0.967 85 D HN 0.536 nan 8.370 nan 0.000 0.464 86 I N 0.377 120.853 120.570 -0.157 0.000 2.315 86 I HA -0.210 3.964 4.170 0.006 0.000 0.248 86 I C 2.244 178.225 176.117 -0.227 0.000 1.117 86 I CA 0.331 61.532 61.300 -0.164 0.000 1.404 86 I CB -0.043 37.873 38.000 -0.140 0.000 1.071 86 I HN 0.010 nan 8.210 nan 0.000 0.419 87 L N 1.944 122.943 121.223 -0.374 0.000 2.012 87 L HA -0.238 4.106 4.340 0.006 0.000 0.210 87 L C 2.517 179.238 176.870 -0.249 0.000 1.073 87 L CA 2.171 56.770 54.840 -0.401 0.000 0.748 87 L CB -0.716 40.963 42.059 -0.632 0.000 0.891 87 L HN 0.264 nan 8.230 nan 0.000 0.431 88 K N -0.872 119.407 120.400 -0.202 0.000 2.217 88 K HA -0.089 4.234 4.320 0.006 0.000 0.202 88 K C 1.927 178.445 176.600 -0.137 0.000 1.051 88 K CA 1.894 58.090 56.287 -0.152 0.000 0.952 88 K CB -0.552 31.882 32.500 -0.111 0.000 0.736 88 K HN 0.428 nan 8.250 nan 0.000 0.453 89 I N 2.212 122.707 120.570 -0.126 0.000 2.193 89 I HA -0.213 3.960 4.170 0.006 0.000 0.240 89 I C 2.715 178.770 176.117 -0.103 0.000 1.084 89 I CA 1.392 62.633 61.300 -0.097 0.000 1.365 89 I CB -0.322 37.629 38.000 -0.081 0.000 1.064 89 I HN 0.266 nan 8.210 nan 0.000 0.410 90 R N 1.260 121.690 120.500 -0.117 0.000 2.189 90 R HA -0.105 4.239 4.340 0.006 0.000 0.223 90 R C 2.015 178.200 176.300 -0.192 0.000 1.092 90 R CA 0.977 57.026 56.100 -0.085 0.000 0.989 90 R CB -0.560 29.720 30.300 -0.034 0.000 0.876 90 R HN 0.291 nan 8.270 nan 0.000 0.457 91 R N 0.541 120.830 120.500 -0.352 0.000 2.285 91 R HA -0.059 4.285 4.340 0.006 0.000 0.213 91 R C 1.245 177.349 176.300 -0.325 0.000 1.068 91 R CA 1.022 56.724 56.100 -0.663 0.000 1.004 91 R CB 0.040 30.076 30.300 -0.440 0.000 0.873 91 R HN 0.257 nan 8.270 nan 0.000 0.467 92 E N 0.269 120.380 120.200 -0.149 0.000 2.371 92 E HA 0.047 4.401 4.350 0.006 0.000 0.194 92 E C -0.212 176.400 176.600 0.019 0.000 1.012 92 E CA 0.111 56.482 56.400 -0.049 0.000 0.860 92 E CB 0.223 29.903 29.700 -0.034 0.000 0.811 92 E HN 0.157 nan 8.360 nan 0.000 0.502 93 L N 1.498 122.755 121.223 0.057 0.000 2.490 93 L HA 0.034 4.378 4.340 0.006 0.000 0.274 93 L C -1.460 175.505 176.870 0.159 0.000 1.201 93 L CA -1.082 53.828 54.840 0.116 0.000 0.869 93 L CB 0.279 42.424 42.059 0.144 0.000 1.123 93 L HN 0.007 nan 8.230 nan 0.000 0.484 94 P HA -0.170 nan 4.420 nan 0.000 0.218 94 P C 1.657 179.045 177.300 0.146 0.000 1.146 94 P CA 0.746 63.907 63.100 0.101 0.000 0.813 94 P CB 0.207 31.944 31.700 0.061 0.000 0.778 95 V N -0.767 119.250 119.914 0.171 0.000 2.490 95 V HA -0.259 3.865 4.120 0.006 0.000 0.250 95 V C 2.335 178.589 176.094 0.266 0.000 1.061 95 V CA 1.707 64.130 62.300 0.206 0.000 1.064 95 V CB -1.233 30.639 31.823 0.081 0.000 0.670 95 V HN 0.303 nan 8.190 nan 0.000 0.461 96 H N -0.184 119.032 119.070 0.242 0.000 2.421 96 H HA -0.060 4.500 4.556 0.006 0.000 0.298 96 H C 2.280 177.671 175.328 0.106 0.000 1.087 96 H CA 1.460 57.638 56.048 0.217 0.000 1.330 96 H CB 0.004 29.861 29.762 0.159 0.000 1.388 96 H HN 0.479 nan 8.280 nan 0.000 0.526 97 A N 0.549 123.490 122.820 0.201 0.000 2.172 97 A HA -0.118 4.205 4.320 0.006 0.000 0.216 97 A C 1.804 179.449 177.584 0.101 0.000 1.154 97 A CA 1.061 53.169 52.037 0.119 0.000 0.701 97 A CB -0.040 19.012 19.000 0.088 0.000 0.789 97 A HN 0.429 nan 8.150 nan 0.000 0.465 98 Q N -1.764 118.117 119.800 0.134 0.000 2.135 98 Q HA 0.199 4.543 4.340 0.006 0.000 0.222 98 Q C 1.509 177.618 176.000 0.182 0.000 0.808 98 Q CA -0.289 55.599 55.803 0.142 0.000 1.049 98 Q CB 0.473 29.300 28.738 0.150 0.000 1.168 98 Q HN 0.668 nan 8.270 nan 0.000 0.483 99 R N 1.011 121.562 120.500 0.085 0.000 2.096 99 R HA -0.199 4.144 4.340 0.006 0.000 0.240 99 R C 1.062 177.393 176.300 0.052 0.000 1.139 99 R CA 2.021 58.079 56.100 -0.071 0.000 0.952 99 R CB 0.172 30.155 30.300 -0.529 0.000 0.854 99 R HN 0.187 nan 8.270 nan 0.000 0.436 100 D N -0.064 120.352 120.400 0.026 0.000 2.117 100 D HA -0.177 4.467 4.640 0.006 0.000 0.198 100 D C 1.685 178.034 176.300 0.082 0.000 0.982 100 D CA 1.179 55.203 54.000 0.040 0.000 0.828 100 D CB -0.132 40.681 40.800 0.021 0.000 0.967 100 D HN 0.442 nan 8.370 nan 0.000 0.464 101 E N -0.525 119.740 120.200 0.109 0.000 2.110 101 E HA -0.184 4.170 4.350 0.006 0.000 0.193 101 E C 2.030 178.732 176.600 0.171 0.000 0.988 101 E CA 0.504 56.972 56.400 0.112 0.000 0.804 101 E CB -0.160 29.601 29.700 0.101 0.000 0.745 101 E HN 0.229 nan 8.360 nan 0.000 0.458 102 F N 1.341 121.376 119.950 0.141 0.000 2.084 102 F HA -0.133 4.398 4.527 0.006 0.000 0.296 102 F C 1.891 177.807 175.800 0.192 0.000 1.111 102 F CA 1.292 59.428 58.000 0.227 0.000 1.224 102 F CB -0.385 38.823 39.000 0.347 0.000 0.991 102 F HN -0.029 nan 8.300 nan 0.000 0.471 103 L N 0.569 121.757 121.223 -0.058 0.000 2.043 103 L HA -0.294 4.050 4.340 0.006 0.000 0.212 103 L C 2.664 179.472 176.870 -0.103 0.000 1.075 103 L CA 2.076 56.834 54.840 -0.136 0.000 0.752 103 L CB -0.875 41.209 42.059 0.041 0.000 0.891 103 L HN 0.203 nan 8.230 nan 0.000 0.432 104 K N 0.092 120.466 120.400 -0.044 0.000 2.020 104 K HA -0.256 4.067 4.320 0.006 0.000 0.212 104 K C 2.154 178.712 176.600 -0.071 0.000 1.050 104 K CA 1.654 57.920 56.287 -0.035 0.000 0.929 104 K CB -0.159 32.340 32.500 -0.002 0.000 0.714 104 K HN 0.035 nan 8.250 nan 0.000 0.443 105 L N 0.444 121.622 121.223 -0.075 0.000 2.046 105 L HA -0.171 4.173 4.340 0.006 0.000 0.208 105 L C 2.227 179.024 176.870 -0.121 0.000 1.077 105 L CA 1.626 56.425 54.840 -0.069 0.000 0.747 105 L CB -0.843 41.215 42.059 -0.002 0.000 0.896 105 L HN 0.293 nan 8.230 nan 0.000 0.432 106 Y N 0.100 120.166 120.300 -0.389 0.000 2.181 106 Y HA -0.297 4.257 4.550 0.007 0.000 0.288 106 Y C 2.587 178.319 175.900 -0.280 0.000 1.146 106 Y CA 1.930 59.798 58.100 -0.386 0.000 1.164 106 Y CB -0.175 37.911 38.460 -0.623 0.000 0.982 106 Y HN 0.321 nan 8.280 nan 0.000 0.515 107 Q N -0.511 119.163 119.800 -0.210 0.000 2.224 107 Q HA -0.129 4.215 4.340 0.006 0.000 0.203 107 Q C 0.991 176.796 176.000 -0.325 0.000 0.970 107 Q CA 1.292 56.920 55.803 -0.292 0.000 0.865 107 Q CB 0.018 28.664 28.738 -0.153 0.000 0.922 107 Q HN 0.463 nan 8.270 nan 0.000 0.445 108 N N 0.139 118.701 118.700 -0.229 0.000 2.204 108 N HA 0.127 4.871 4.740 0.006 0.000 0.219 108 N C -0.761 174.653 175.510 -0.159 0.000 1.151 108 N CA 0.158 53.106 53.050 -0.170 0.000 0.867 108 N CB 0.686 39.113 38.487 -0.100 0.000 1.043 108 N HN 0.158 nan 8.380 nan 0.000 0.516 109 N N 0.222 118.797 118.700 -0.208 0.000 2.264 109 N HA 0.070 4.813 4.740 0.006 0.000 0.288 109 N C 0.340 175.719 175.510 -0.218 0.000 1.094 109 N CA -0.322 52.631 53.050 -0.163 0.000 0.817 109 N CB 2.522 40.951 38.487 -0.097 0.000 1.604 109 N HN -0.027 nan 8.380 nan 0.000 0.473 110 Q N 1.075 120.780 119.800 -0.158 0.000 2.212 110 Q HA 0.224 4.568 4.340 0.006 0.000 0.199 110 Q C -0.208 175.721 176.000 -0.119 0.000 0.950 110 Q CA 0.981 56.690 55.803 -0.157 0.000 0.863 110 Q CB 0.444 29.120 28.738 -0.104 0.000 0.944 110 Q HN 0.573 nan 8.270 nan 0.000 0.465 111 I N 1.731 122.251 120.570 -0.084 0.000 2.545 111 I HA 0.364 4.538 4.170 0.006 0.000 0.292 111 I C -0.593 175.496 176.117 -0.046 0.000 1.040 111 I CA -0.985 60.262 61.300 -0.089 0.000 1.068 111 I CB 2.043 39.975 38.000 -0.113 0.000 1.251 111 I HN 0.133 nan 8.210 nan 0.000 0.424 112 M N 5.820 125.407 119.600 -0.021 0.000 2.531 112 M HA 0.768 5.252 4.480 0.006 0.000 0.286 112 M C -1.303 175.052 176.300 0.091 0.000 1.232 112 M CA -0.925 54.411 55.300 0.060 0.000 0.877 112 M CB 2.479 35.150 32.600 0.118 0.000 1.726 112 M HN 0.291 nan 8.290 nan 0.000 0.463 113 V N -0.086 119.907 119.914 0.131 0.000 2.483 113 V HA 0.798 4.922 4.120 0.006 0.000 0.295 113 V C -1.681 174.532 176.094 0.198 0.000 1.035 113 V CA -0.371 62.021 62.300 0.153 0.000 0.896 113 V CB 1.709 33.625 31.823 0.155 0.000 0.986 113 V HN 0.860 nan 8.190 nan 0.000 0.447 114 F N 4.346 124.327 119.950 0.052 0.000 2.539 114 F HA 0.804 5.335 4.527 0.007 0.000 0.328 114 F C -0.710 175.091 175.800 0.001 0.000 1.148 114 F CA -0.582 57.450 58.000 0.054 0.000 0.940 114 F CB 1.908 40.952 39.000 0.073 0.000 1.194 114 F HN 0.544 nan 8.300 nan 0.000 0.438 115 V N 4.552 124.391 119.914 -0.125 0.000 2.604 115 V HA 0.973 5.097 4.120 0.006 0.000 0.305 115 V C -0.124 175.914 176.094 -0.093 0.000 1.043 115 V CA -0.529 61.738 62.300 -0.055 0.000 0.888 115 V CB 1.548 33.315 31.823 -0.093 0.000 0.995 115 V HN 1.009 nan 8.190 nan 0.000 0.429 116 G N 2.390 111.193 108.800 0.005 0.000 2.655 116 G HA2 0.475 4.439 3.960 0.006 0.000 0.296 116 G HA3 0.475 4.439 3.960 0.006 0.000 0.296 116 G C -1.170 173.728 174.900 -0.002 0.000 1.485 116 G CA -0.732 44.373 45.100 0.009 0.000 0.869 116 G HN 0.611 nan 8.290 nan 0.000 0.540 117 E N 0.501 120.689 120.200 -0.019 0.000 2.459 117 E HA 0.214 4.568 4.350 0.006 0.000 0.264 117 E C 1.054 177.653 176.600 -0.002 0.000 1.055 117 E CA 0.670 57.055 56.400 -0.025 0.000 0.957 117 E CB 0.597 30.285 29.700 -0.020 0.000 0.952 117 E HN 0.588 nan 8.360 nan 0.000 0.448 118 T N 0.176 114.728 114.554 -0.003 0.000 2.916 118 T HA 0.322 4.676 4.350 0.006 0.000 0.303 118 T C 1.046 175.765 174.700 0.032 0.000 1.025 118 T CA 0.288 62.403 62.100 0.025 0.000 1.142 118 T CB 0.671 69.565 68.868 0.044 0.000 0.947 118 T HN 0.708 nan 8.240 nan 0.000 0.544 119 G N 2.570 111.389 108.800 0.033 0.000 2.213 119 G HA2 -0.322 3.642 3.960 0.006 0.000 0.226 119 G HA3 -0.322 3.642 3.960 0.006 0.000 0.226 119 G C 1.134 176.051 174.900 0.028 0.000 0.992 119 G CA 0.716 45.835 45.100 0.032 0.000 0.632 119 G HN 1.723 nan 8.290 nan 0.000 0.511 120 S N 0.111 115.829 115.700 0.031 0.000 2.522 120 S HA 0.416 4.890 4.470 0.006 0.000 0.227 120 S C 2.029 176.653 174.600 0.039 0.000 0.986 120 S CA 1.529 59.755 58.200 0.042 0.000 0.929 120 S CB 0.213 63.446 63.200 0.054 0.000 0.769 120 S HN 2.400 nan 8.310 nan 0.000 0.529 121 G N 1.061 109.862 108.800 0.002 0.000 2.143 121 G HA2 -0.195 3.768 3.960 0.006 0.000 0.175 121 G HA3 -0.195 3.768 3.960 0.006 0.000 0.175 121 G C 0.629 175.436 174.900 -0.156 0.000 1.004 121 G CA 0.159 45.226 45.100 -0.056 0.000 0.671 121 G HN 0.464 nan 8.290 nan 0.000 0.512 122 K N -0.229 120.100 120.400 -0.118 0.000 1.978 122 K HA -0.076 4.248 4.320 0.006 0.000 0.214 122 K C 2.522 178.968 176.600 -0.255 0.000 1.049 122 K CA 2.019 58.167 56.287 -0.231 0.000 0.939 122 K CB -0.382 32.067 32.500 -0.086 0.000 0.721 122 K HN 0.292 nan 8.250 nan 0.000 0.441 123 T N 0.614 115.092 114.554 -0.126 0.000 2.821 123 T HA -0.117 4.237 4.350 0.006 0.000 0.267 123 T C 2.142 176.816 174.700 -0.042 0.000 1.046 123 T CA 1.843 63.912 62.100 -0.053 0.000 1.139 123 T CB -0.328 68.525 68.868 -0.024 0.000 0.871 123 T HN 0.517 nan 8.240 nan 0.000 0.454 124 T N 0.321 114.802 114.554 -0.122 0.000 2.852 124 T HA -0.005 4.348 4.350 0.006 0.000 0.256 124 T C 1.963 176.562 174.700 -0.167 0.000 1.038 124 T CA 0.461 62.492 62.100 -0.115 0.000 1.141 124 T CB -0.115 68.678 68.868 -0.125 0.000 0.869 124 T HN 0.120 nan 8.240 nan 0.000 0.439 125 Q N 0.732 120.331 119.800 -0.335 0.000 2.107 125 Q HA 0.225 4.569 4.340 0.006 0.000 0.195 125 Q C 2.622 177.995 176.000 -1.045 0.000 0.964 125 Q CA 0.587 56.002 55.803 -0.648 0.000 0.833 125 Q CB -0.461 27.812 28.738 -0.775 0.000 0.910 125 Q HN 0.418 nan 8.270 nan 0.000 0.465 126 I N 1.669 121.645 120.570 -0.991 0.000 2.151 126 I HA -0.209 3.965 4.170 0.006 0.000 0.243 126 I C -0.586 175.189 176.117 -0.570 0.000 1.080 126 I CA 1.411 62.090 61.300 -1.036 0.000 1.339 126 I CB -2.467 34.902 38.000 -1.051 0.000 1.039 126 I HN 0.092 nan 8.210 nan 0.000 0.409 127 P HA -0.145 nan 4.420 nan 0.000 0.218 127 P C 1.779 179.002 177.300 -0.127 0.000 1.149 127 P CA 1.325 64.293 63.100 -0.219 0.000 0.817 127 P CB -0.064 31.503 31.700 -0.221 0.000 0.785 128 Q N -1.881 117.850 119.800 -0.114 0.000 2.079 128 Q HA -0.114 4.229 4.340 0.006 0.000 0.200 128 Q C 1.816 178.043 176.000 0.379 0.000 0.974 128 Q CA 1.101 56.955 55.803 0.084 0.000 0.840 128 Q CB -0.469 28.353 28.738 0.139 0.000 0.898 128 Q HN 0.202 nan 8.270 nan 0.000 0.430 129 F N 0.000 120.006 119.950 0.093 0.000 2.161 129 F HA -0.183 4.347 4.527 0.005 0.000 0.300 129 F C 2.246 178.172 175.800 0.210 0.000 1.089 129 F CA 0.541 58.644 58.000 0.172 0.000 1.282 129 F CB -1.046 37.959 39.000 0.008 0.000 1.010 129 F HN -0.096 nan 8.300 nan 0.000 0.485 130 V N 0.155 120.213 119.914 0.240 0.000 2.427 130 V HA -0.247 3.877 4.120 0.006 0.000 0.248 130 V C 2.547 178.708 176.094 0.112 0.000 1.051 130 V CA 1.106 63.423 62.300 0.029 0.000 1.048 130 V CB -0.664 31.079 31.823 -0.133 0.000 0.666 130 V HN 0.266 nan 8.190 nan 0.000 0.456 131 L N -1.342 119.951 121.223 0.117 0.000 2.079 131 L HA -0.192 4.152 4.340 0.006 0.000 0.210 131 L C 2.437 179.407 176.870 0.167 0.000 1.081 131 L CA 1.792 56.680 54.840 0.080 0.000 0.752 131 L CB -0.671 41.324 42.059 -0.107 0.000 0.896 131 L HN 0.278 nan 8.230 nan 0.000 0.433 132 F N 0.276 120.447 119.950 0.367 0.000 2.163 132 F HA -0.200 4.330 4.527 0.004 0.000 0.297 132 F C 2.332 178.269 175.800 0.228 0.000 1.094 132 F CA 1.753 59.978 58.000 0.375 0.000 1.290 132 F CB -0.377 38.847 39.000 0.372 0.000 1.017 132 F HN 0.116 nan 8.300 nan 0.000 0.483 133 D N -0.665 119.955 120.400 0.367 0.000 2.234 133 D HA -0.145 4.498 4.640 0.006 0.000 0.205 133 D C 1.931 178.351 176.300 0.199 0.000 0.962 133 D CA 0.804 54.967 54.000 0.271 0.000 0.855 133 D CB 0.154 41.122 40.800 0.281 0.000 0.951 133 D HN 0.170 nan 8.370 nan 0.000 0.500 134 E N -0.422 119.884 120.200 0.178 0.000 2.389 134 E HA 0.149 4.503 4.350 0.006 0.000 0.199 134 E C 0.487 177.069 176.600 -0.030 0.000 0.978 134 E CA 0.113 56.586 56.400 0.122 0.000 0.912 134 E CB -0.103 29.743 29.700 0.243 0.000 0.907 134 E HN 0.154 nan 8.360 nan 0.000 0.494 135 M N 1.325 120.893 119.600 -0.053 0.000 2.140 135 M HA -0.190 4.293 4.480 0.006 0.000 0.191 135 M C -1.869 174.335 176.300 -0.161 0.000 0.454 135 M CA 0.331 55.507 55.300 -0.208 0.000 0.403 135 M CB -0.734 31.565 32.600 -0.503 0.000 1.031 135 M HN 0.187 nan 8.290 nan 0.000 0.937 136 P HA -0.234 nan 4.420 nan 0.000 0.216 136 P C 1.192 178.457 177.300 -0.059 0.000 1.150 136 P CA 2.150 65.250 63.100 0.001 0.000 0.843 136 P CB -0.462 31.273 31.700 0.060 0.000 0.787 137 H N -0.094 118.877 119.070 -0.164 0.000 2.457 137 H HA 0.018 4.578 4.556 0.007 0.000 0.294 137 H C 1.930 176.925 175.328 -0.555 0.000 1.064 137 H CA 0.706 56.618 56.048 -0.227 0.000 1.330 137 H CB -1.457 28.267 29.762 -0.063 0.000 1.395 137 H HN 0.171 nan 8.280 nan 0.000 0.541 138 L N 1.162 121.801 121.223 -0.974 0.000 2.395 138 L HA -0.035 4.309 4.340 0.006 0.000 0.218 138 L C 1.827 178.415 176.870 -0.469 0.000 1.130 138 L CA 1.293 55.638 54.840 -0.824 0.000 0.826 138 L CB -0.187 41.473 42.059 -0.665 0.000 0.941 138 L HN 0.430 nan 8.230 nan 0.000 0.451 139 E N -1.040 118.954 120.200 -0.343 0.000 2.558 139 E HA 0.014 4.368 4.350 0.006 0.000 0.205 139 E C -0.032 176.482 176.600 -0.143 0.000 1.006 139 E CA -0.202 56.082 56.400 -0.193 0.000 0.961 139 E CB -0.042 29.573 29.700 -0.142 0.000 1.044 139 E HN 0.240 nan 8.360 nan 0.000 0.465 140 N N 0.682 119.276 118.700 -0.176 0.000 2.758 140 N HA -0.154 4.590 4.740 0.006 0.000 0.248 140 N C -1.212 174.252 175.510 -0.076 0.000 1.076 140 N CA 1.419 54.414 53.050 -0.092 0.000 0.696 140 N CB -1.283 37.176 38.487 -0.047 0.000 0.979 140 N HN 0.660 nan 8.380 nan 0.000 0.550 141 T N -3.917 110.590 114.554 -0.079 0.000 2.778 141 T HA 0.725 5.078 4.350 0.006 0.000 0.293 141 T C -0.382 174.284 174.700 -0.057 0.000 1.144 141 T CA -0.889 61.164 62.100 -0.078 0.000 1.010 141 T CB 2.235 71.078 68.868 -0.042 0.000 1.325 141 T HN 0.151 nan 8.240 nan 0.000 0.515 142 Q N -0.503 119.253 119.800 -0.074 0.000 2.552 142 Q HA 0.736 5.080 4.340 0.006 0.000 0.289 142 Q C -1.236 174.865 176.000 0.167 0.000 1.097 142 Q CA -1.280 54.528 55.803 0.008 0.000 0.812 142 Q CB 2.622 31.327 28.738 -0.055 0.000 1.460 142 Q HN 0.736 nan 8.270 nan 0.000 0.452 143 V N -1.283 118.724 119.914 0.155 0.000 2.540 143 V HA 0.916 5.040 4.120 0.006 0.000 0.302 143 V C -1.245 174.883 176.094 0.058 0.000 1.035 143 V CA -0.487 61.903 62.300 0.150 0.000 0.873 143 V CB 1.201 33.045 31.823 0.034 0.000 0.992 143 V HN 0.831 nan 8.190 nan 0.000 0.428 144 A N 5.036 127.805 122.820 -0.085 0.000 2.306 144 A HA 0.775 5.099 4.320 0.006 0.000 0.314 144 A C -0.212 177.219 177.584 -0.255 0.000 1.164 144 A CA -0.219 51.637 52.037 -0.301 0.000 0.822 144 A CB 1.064 19.590 19.000 -0.791 0.000 1.130 144 A HN 1.720 nan 8.150 nan 0.000 0.496 145 C N 1.978 121.114 119.300 -0.273 0.000 2.381 145 C HA 0.729 5.193 4.460 0.006 0.000 0.328 145 C C 0.240 175.201 174.990 -0.049 0.000 1.190 145 C CA -0.133 58.766 59.018 -0.198 0.000 1.369 145 C CB 0.184 27.716 27.740 -0.347 0.000 2.029 145 C HN 0.925 nan 8.230 nan 0.000 0.448 146 T N 5.371 119.914 114.554 -0.020 0.000 2.829 146 T HA 0.544 4.898 4.350 0.006 0.000 0.282 146 T C -0.756 173.971 174.700 0.045 0.000 0.990 146 T CA -0.155 61.952 62.100 0.012 0.000 1.028 146 T CB 0.684 69.545 68.868 -0.011 0.000 0.951 146 T HN 0.818 nan 8.240 nan 0.000 0.460 147 Q N 4.467 124.299 119.800 0.054 0.000 2.353 147 Q HA 0.309 4.653 4.340 0.006 0.000 0.268 147 Q C -2.027 173.990 176.000 0.027 0.000 1.045 147 Q CA -2.266 53.562 55.803 0.043 0.000 0.811 147 Q CB 1.872 30.640 28.738 0.050 0.000 1.305 147 Q HN 0.361 nan 8.270 nan 0.000 0.447 148 P HA -0.077 nan 4.420 nan 0.000 0.220 148 P C -0.296 177.016 177.300 0.019 0.000 1.148 148 P CA 1.222 64.328 63.100 0.010 0.000 0.803 148 P CB 0.429 32.121 31.700 -0.012 0.000 0.782 149 R N -0.729 119.783 120.500 0.020 0.000 2.387 149 R HA 0.319 4.663 4.340 0.006 0.000 0.314 149 R C 1.400 177.706 176.300 0.010 0.000 0.958 149 R CA -0.650 55.464 56.100 0.023 0.000 0.846 149 R CB 1.244 31.562 30.300 0.030 0.000 1.147 149 R HN -0.111 nan 8.270 nan 0.000 0.447 150 R N 2.096 122.602 120.500 0.011 0.000 2.112 150 R HA -0.195 4.149 4.340 0.006 0.000 0.242 150 R C 1.246 177.511 176.300 -0.059 0.000 1.137 150 R CA 2.077 58.169 56.100 -0.013 0.000 0.944 150 R CB -0.207 30.098 30.300 0.008 0.000 0.857 150 R HN 0.475 nan 8.270 nan 0.000 0.435 151 V N 0.934 120.825 119.914 -0.039 0.000 2.407 151 V HA -0.223 3.900 4.120 0.006 0.000 0.248 151 V C 2.510 178.567 176.094 -0.062 0.000 1.055 151 V CA 1.873 64.137 62.300 -0.060 0.000 1.049 151 V CB -0.709 31.091 31.823 -0.039 0.000 0.662 151 V HN 0.599 nan 8.190 nan 0.000 0.455 152 A N -0.013 122.786 122.820 -0.034 0.000 1.902 152 A HA -0.106 4.218 4.320 0.006 0.000 0.217 152 A C 2.447 179.979 177.584 -0.085 0.000 1.181 152 A CA 2.047 54.063 52.037 -0.036 0.000 0.623 152 A CB -0.802 18.195 19.000 -0.005 0.000 0.818 152 A HN 0.557 nan 8.150 nan 0.000 0.443 153 A N -0.389 122.391 122.820 -0.067 0.000 1.883 153 A HA -0.164 4.160 4.320 0.006 0.000 0.217 153 A C 2.297 179.779 177.584 -0.170 0.000 1.186 153 A CA 1.998 54.000 52.037 -0.058 0.000 0.624 153 A CB -0.577 18.432 19.000 0.015 0.000 0.822 153 A HN 0.544 nan 8.150 nan 0.000 0.444 154 M N 0.148 119.564 119.600 -0.308 0.000 2.099 154 M HA -0.133 4.350 4.480 0.006 0.000 0.262 154 M C 2.544 178.685 176.300 -0.265 0.000 1.067 154 M CA 1.931 56.891 55.300 -0.567 0.000 1.124 154 M CB -0.410 31.799 32.600 -0.651 0.000 1.353 154 M HN 0.631 nan 8.290 nan 0.000 0.410 155 S N -0.543 115.059 115.700 -0.163 0.000 2.406 155 S HA -0.060 4.414 4.470 0.006 0.000 0.228 155 S C 1.875 176.379 174.600 -0.161 0.000 1.020 155 S CA 0.927 59.080 58.200 -0.080 0.000 0.965 155 S CB -0.766 62.474 63.200 0.067 0.000 0.798 155 S HN 0.311 nan 8.310 nan 0.000 0.488 156 V N 1.827 121.603 119.914 -0.231 0.000 2.453 156 V HA 0.081 4.205 4.120 0.006 0.000 0.247 156 V C 2.886 178.686 176.094 -0.489 0.000 1.048 156 V CA 1.456 63.531 62.300 -0.375 0.000 1.049 156 V CB -0.888 30.663 31.823 -0.453 0.000 0.672 156 V HN 0.628 nan 8.190 nan 0.000 0.457 157 A N -0.524 122.055 122.820 -0.402 0.000 1.902 157 A HA -0.296 4.028 4.320 0.006 0.000 0.217 157 A C 2.102 179.669 177.584 -0.029 0.000 1.181 157 A CA 2.186 54.131 52.037 -0.153 0.000 0.623 157 A CB -0.634 18.490 19.000 0.206 0.000 0.818 157 A HN 0.616 nan 8.150 nan 0.000 0.443 158 Q N -0.029 119.759 119.800 -0.019 0.000 2.084 158 Q HA -0.217 4.127 4.340 0.006 0.000 0.202 158 Q C 2.129 178.091 176.000 -0.064 0.000 0.978 158 Q CA 2.327 58.131 55.803 0.001 0.000 0.844 158 Q CB -0.302 28.438 28.738 0.004 0.000 0.898 158 Q HN 0.544 nan 8.270 nan 0.000 0.426 159 R N -0.560 119.850 120.500 -0.150 0.000 2.073 159 R HA -0.047 4.296 4.340 0.006 0.000 0.234 159 R C 2.026 178.261 176.300 -0.109 0.000 1.134 159 R CA 1.937 57.930 56.100 -0.179 0.000 0.952 159 R CB -0.937 29.197 30.300 -0.277 0.000 0.850 159 R HN 0.239 nan 8.270 nan 0.000 0.433 160 V N 1.172 121.020 119.914 -0.109 0.000 2.515 160 V HA -0.136 3.988 4.120 0.006 0.000 0.250 160 V C 2.375 178.489 176.094 0.033 0.000 1.058 160 V CA 1.686 63.971 62.300 -0.024 0.000 1.064 160 V CB -0.943 30.899 31.823 0.032 0.000 0.675 160 V HN 0.544 nan 8.190 nan 0.000 0.461 161 A N -0.097 122.742 122.820 0.032 0.000 1.933 161 A HA -0.248 4.075 4.320 0.006 0.000 0.218 161 A C 2.190 179.811 177.584 0.061 0.000 1.175 161 A CA 1.917 53.983 52.037 0.048 0.000 0.628 161 A CB -0.392 18.637 19.000 0.048 0.000 0.814 161 A HN 0.633 nan 8.150 nan 0.000 0.444 162 E N -0.277 119.946 120.200 0.039 0.000 2.072 162 E HA -0.170 4.184 4.350 0.006 0.000 0.191 162 E C 1.884 178.541 176.600 0.095 0.000 0.985 162 E CA 1.187 57.619 56.400 0.053 0.000 0.801 162 E CB -0.199 29.503 29.700 0.003 0.000 0.750 162 E HN 0.725 nan 8.360 nan 0.000 0.452 163 E N 0.118 120.357 120.200 0.066 0.000 2.268 163 E HA -0.090 4.264 4.350 0.006 0.000 0.195 163 E C 1.595 178.343 176.600 0.247 0.000 0.995 163 E CA 0.701 57.155 56.400 0.090 0.000 0.836 163 E CB 0.053 29.776 29.700 0.038 0.000 0.763 163 E HN 0.287 nan 8.360 nan 0.000 0.491 164 M N 0.218 119.957 119.600 0.233 0.000 2.371 164 M HA 0.035 4.519 4.480 0.006 0.000 0.246 164 M C -0.257 176.241 176.300 0.330 0.000 1.103 164 M CA -0.004 55.472 55.300 0.294 0.000 1.010 164 M CB 0.488 33.149 32.600 0.102 0.000 1.457 164 M HN -0.156 nan 8.290 nan 0.000 0.486 165 D N 1.867 122.455 120.400 0.314 0.000 2.708 165 D HA -0.121 4.523 4.640 0.006 0.000 0.236 165 D C -0.584 175.799 176.300 0.138 0.000 1.146 165 D CA 0.532 54.687 54.000 0.258 0.000 0.662 165 D CB -0.500 40.521 40.800 0.368 0.000 1.059 165 D HN 0.339 nan 8.370 nan 0.000 0.428 166 V N -2.858 117.114 119.914 0.096 0.000 3.126 166 V HA 0.622 4.745 4.120 0.006 0.000 0.314 166 V C 0.228 176.344 176.094 0.036 0.000 1.138 166 V CA -1.123 61.204 62.300 0.044 0.000 1.034 166 V CB 2.081 33.916 31.823 0.019 0.000 1.075 166 V HN 0.118 nan 8.190 nan 0.000 0.442 167 K N 1.570 121.982 120.400 0.019 0.000 2.249 167 K HA 0.466 4.789 4.320 0.006 0.000 0.280 167 K C -0.512 176.098 176.600 0.017 0.000 1.033 167 K CA -0.710 55.588 56.287 0.019 0.000 0.946 167 K CB 1.194 33.699 32.500 0.009 0.000 1.005 167 K HN 0.789 nan 8.250 nan 0.000 0.469 168 L N 4.468 125.707 121.223 0.026 0.000 2.513 168 L HA 0.150 4.494 4.340 0.006 0.000 0.272 168 L C 0.990 177.852 176.870 -0.013 0.000 1.187 168 L CA 2.037 56.893 54.840 0.027 0.000 0.895 168 L CB 0.362 42.459 42.059 0.063 0.000 1.147 168 L HN 0.993 nan 8.230 nan 0.000 0.483 169 G N 2.507 111.280 108.800 -0.045 0.000 2.213 169 G HA2 -0.217 3.747 3.960 0.006 0.000 0.226 169 G HA3 -0.217 3.747 3.960 0.006 0.000 0.226 169 G C 0.666 175.538 174.900 -0.046 0.000 0.992 169 G CA 0.357 45.406 45.100 -0.085 0.000 0.632 169 G HN 0.619 nan 8.290 nan 0.000 0.511 170 E N -0.005 120.181 120.200 -0.024 0.000 3.388 170 E HA 0.336 4.690 4.350 0.006 0.000 0.390 170 E C 1.749 178.340 176.600 -0.016 0.000 0.432 170 E CA 0.127 56.518 56.400 -0.015 0.000 2.109 170 E CB 0.084 29.779 29.700 -0.009 0.000 2.195 170 E HN 0.158 nan 8.360 nan 0.000 0.488 171 E N 0.421 120.609 120.200 -0.020 0.000 2.110 171 E HA -0.059 4.295 4.350 0.006 0.000 0.193 171 E C 0.030 176.593 176.600 -0.061 0.000 0.988 171 E CA 0.598 56.969 56.400 -0.048 0.000 0.804 171 E CB 0.148 29.802 29.700 -0.076 0.000 0.745 171 E HN -0.047 nan 8.360 nan 0.000 0.458 172 V N 0.144 120.044 119.914 -0.025 0.000 2.417 172 V HA 0.708 4.832 4.120 0.006 0.000 0.291 172 V C 0.395 176.519 176.094 0.050 0.000 1.024 172 V CA -0.230 62.085 62.300 0.025 0.000 0.861 172 V CB 1.474 33.337 31.823 0.068 0.000 0.985 172 V HN 0.213 nan 8.190 nan 0.000 0.436 173 G N 3.221 112.066 108.800 0.076 0.000 2.766 173 G HA2 0.779 4.743 3.960 0.006 0.000 0.288 173 G HA3 0.779 4.743 3.960 0.006 0.000 0.288 173 G C -1.778 173.216 174.900 0.156 0.000 1.408 173 G CA -0.625 44.493 45.100 0.031 0.000 0.852 173 G HN 0.781 nan 8.290 nan 0.000 0.487 174 Y N -1.605 118.757 120.300 0.103 0.000 2.553 174 Y HA 0.840 5.393 4.550 0.006 0.000 0.347 174 Y C -0.456 175.496 175.900 0.087 0.000 1.019 174 Y CA -1.965 56.204 58.100 0.114 0.000 1.032 174 Y CB 2.016 40.538 38.460 0.103 0.000 1.284 174 Y HN 0.616 nan 8.280 nan 0.000 0.466 175 S N 3.794 119.694 115.700 0.334 0.000 2.647 175 S HA 0.813 5.287 4.470 0.006 0.000 0.300 175 S C -1.487 173.252 174.600 0.232 0.000 1.129 175 S CA -0.545 57.794 58.200 0.231 0.000 1.029 175 S CB 0.091 63.370 63.200 0.133 0.000 1.007 175 S HN 0.589 nan 8.310 nan 0.000 0.484 176 I N 3.254 123.965 120.570 0.235 0.000 2.892 176 I HA 0.510 4.683 4.170 0.006 0.000 0.306 176 I C 0.471 176.634 176.117 0.075 0.000 1.078 176 I CA -1.112 60.272 61.300 0.141 0.000 1.032 176 I CB 1.647 39.736 38.000 0.147 0.000 1.229 176 I HN 0.731 nan 8.210 nan 0.000 0.435 177 R N 2.873 123.363 120.500 -0.017 0.000 2.502 177 R HA 0.019 4.362 4.340 0.006 0.000 0.292 177 R C -0.430 175.807 176.300 -0.104 0.000 0.998 177 R CA 0.416 56.387 56.100 -0.215 0.000 1.056 177 R CB -0.091 30.017 30.300 -0.321 0.000 0.939 177 R HN 0.547 nan 8.270 nan 0.000 0.411 178 F N 0.916 120.919 119.950 0.088 0.000 2.705 178 F HA -0.277 4.253 4.527 0.006 0.000 0.413 178 F C -0.354 175.505 175.800 0.098 0.000 0.588 178 F CA 1.519 59.571 58.000 0.086 0.000 1.187 178 F CB -1.287 37.761 39.000 0.080 0.000 1.737 178 F HN 0.707 nan 8.300 nan 0.000 0.285 179 E N 0.596 120.950 120.200 0.258 0.000 2.580 179 E HA 0.231 4.584 4.350 0.006 0.000 0.248 179 E C -0.364 176.378 176.600 0.237 0.000 1.018 179 E CA -0.515 56.037 56.400 0.253 0.000 0.775 179 E CB 1.075 30.948 29.700 0.288 0.000 1.378 179 E HN 0.215 nan 8.360 nan 0.000 0.401 180 N N 2.728 121.509 118.700 0.135 0.000 2.456 180 N HA 0.193 4.937 4.740 0.006 0.000 0.288 180 N C -0.632 174.814 175.510 -0.106 0.000 1.059 180 N CA -0.444 52.631 53.050 0.041 0.000 0.946 180 N CB 1.268 39.774 38.487 0.031 0.000 1.150 180 N HN 0.127 nan 8.380 nan 0.000 0.479 181 K N 2.011 122.206 120.400 -0.341 0.000 3.146 181 K HA 0.227 4.550 4.320 0.006 0.000 0.168 181 K C -1.188 175.210 176.600 -0.336 0.000 1.075 181 K CA -0.441 55.542 56.287 -0.505 0.000 0.843 181 K CB -0.133 31.624 32.500 -1.238 0.000 1.002 181 K HN 0.732 nan 8.250 nan 0.000 0.597 182 T N -2.603 111.856 114.554 -0.158 0.000 2.831 182 T HA 0.858 5.212 4.350 0.006 0.000 0.287 182 T C -0.345 174.323 174.700 -0.053 0.000 1.070 182 T CA -0.429 61.621 62.100 -0.084 0.000 1.010 182 T CB 1.650 70.496 68.868 -0.037 0.000 1.264 182 T HN 0.258 nan 8.240 nan 0.000 0.532 183 S N -0.344 115.337 115.700 -0.032 0.000 2.703 183 S HA 0.349 4.822 4.470 0.006 0.000 0.273 183 S C 0.411 175.004 174.600 -0.011 0.000 1.178 183 S CA -0.255 57.933 58.200 -0.020 0.000 0.838 183 S CB 0.622 63.810 63.200 -0.019 0.000 1.178 183 S HN 0.938 nan 8.310 nan 0.000 0.494 184 N N 0.873 119.570 118.700 -0.005 0.000 2.443 184 N HA -0.087 4.657 4.740 0.006 0.000 0.184 184 N C 0.802 176.322 175.510 0.018 0.000 1.037 184 N CA 0.944 53.996 53.050 0.003 0.000 0.896 184 N CB -0.537 37.952 38.487 0.005 0.000 0.959 184 N HN 0.655 nan 8.380 nan 0.000 0.442 185 K N -0.032 120.377 120.400 0.016 0.000 2.393 185 K HA 0.023 4.347 4.320 0.006 0.000 0.193 185 K C 0.425 177.037 176.600 0.020 0.000 1.026 185 K CA 0.368 56.673 56.287 0.031 0.000 1.064 185 K CB 0.089 32.604 32.500 0.024 0.000 0.833 185 K HN 0.389 nan 8.250 nan 0.000 0.521 186 T N -0.802 113.753 114.554 0.002 0.000 2.834 186 T HA 0.223 4.577 4.350 0.006 0.000 0.298 186 T C 1.144 175.836 174.700 -0.013 0.000 0.966 186 T CA -0.259 61.835 62.100 -0.010 0.000 1.141 186 T CB 0.507 69.370 68.868 -0.009 0.000 0.905 186 T HN 0.004 nan 8.240 nan 0.000 0.535 187 I N 2.260 122.806 120.570 -0.041 0.000 2.947 187 I HA 0.268 4.441 4.170 0.006 0.000 0.263 187 I C 0.490 176.569 176.117 -0.064 0.000 1.130 187 I CA -0.096 61.171 61.300 -0.054 0.000 1.448 187 I CB 0.123 38.044 38.000 -0.131 0.000 1.222 187 I HN 0.440 nan 8.210 nan 0.000 0.453 188 L N 1.931 123.093 121.223 -0.103 0.000 2.298 188 L HA 0.428 4.772 4.340 0.006 0.000 0.284 188 L C -0.397 176.407 176.870 -0.110 0.000 1.013 188 L CA -0.259 54.494 54.840 -0.144 0.000 0.824 188 L CB 0.900 42.834 42.059 -0.208 0.000 1.221 188 L HN -0.030 nan 8.230 nan 0.000 0.418 189 K N 4.733 125.062 120.400 -0.118 0.000 2.507 189 K HA 0.392 4.716 4.320 0.006 0.000 0.253 189 K C -1.539 174.996 176.600 -0.108 0.000 0.969 189 K CA -0.467 55.810 56.287 -0.016 0.000 0.908 189 K CB 0.548 33.117 32.500 0.116 0.000 1.127 189 K HN 0.541 nan 8.250 nan 0.000 0.437 190 Y N 4.776 125.113 120.300 0.063 0.000 2.309 190 Y HA 0.323 4.876 4.550 0.005 0.000 0.327 190 Y C 0.591 176.543 175.900 0.087 0.000 1.172 190 Y CA -0.131 58.000 58.100 0.051 0.000 1.280 190 Y CB 1.076 39.565 38.460 0.049 0.000 1.234 190 Y HN 0.462 nan 8.280 nan 0.000 0.512 191 M N -0.127 119.587 119.600 0.191 0.000 2.732 191 M HA 0.477 4.961 4.480 0.006 0.000 0.272 191 M C -1.044 175.308 176.300 0.087 0.000 1.203 191 M CA -1.072 54.310 55.300 0.136 0.000 0.841 191 M CB 1.808 34.462 32.600 0.090 0.000 1.685 191 M HN 0.512 nan 8.290 nan 0.000 0.492 192 T N -1.722 112.873 114.554 0.068 0.000 2.860 192 T HA 0.204 4.558 4.350 0.006 0.000 0.299 192 T C 0.651 175.369 174.700 0.030 0.000 1.045 192 T CA 0.279 62.405 62.100 0.043 0.000 1.071 192 T CB 0.420 69.308 68.868 0.034 0.000 0.985 192 T HN 0.757 nan 8.240 nan 0.000 0.537 193 D N 1.391 121.807 120.400 0.027 0.000 2.144 193 D HA -0.045 4.599 4.640 0.006 0.000 0.199 193 D C 2.231 178.544 176.300 0.023 0.000 0.984 193 D CA 1.388 55.402 54.000 0.024 0.000 0.834 193 D CB -1.206 39.615 40.800 0.034 0.000 0.955 193 D HN 0.719 nan 8.370 nan 0.000 0.465 194 G N 0.362 109.174 108.800 0.020 0.000 2.469 194 G HA2 -0.271 3.693 3.960 0.006 0.000 0.219 194 G HA3 -0.271 3.693 3.960 0.006 0.000 0.219 194 G C 1.560 176.464 174.900 0.007 0.000 1.150 194 G CA 1.279 46.385 45.100 0.011 0.000 0.763 194 G HN 0.121 nan 8.290 nan 0.000 0.561 195 M N -0.329 119.278 119.600 0.011 0.000 2.156 195 M HA 0.131 4.614 4.480 0.006 0.000 0.264 195 M C 2.476 178.793 176.300 0.028 0.000 1.067 195 M CA 0.660 55.969 55.300 0.016 0.000 1.131 195 M CB -1.071 31.548 32.600 0.032 0.000 1.368 195 M HN 0.275 nan 8.290 nan 0.000 0.416 196 L N 0.548 121.781 121.223 0.016 0.000 2.083 196 L HA -0.132 4.211 4.340 0.006 0.000 0.209 196 L C 2.200 179.089 176.870 0.030 0.000 1.083 196 L CA 1.436 56.277 54.840 0.003 0.000 0.752 196 L CB -0.804 41.218 42.059 -0.061 0.000 0.899 196 L HN 0.220 nan 8.230 nan 0.000 0.433 197 L N -0.733 120.508 121.223 0.030 0.000 2.042 197 L HA -0.273 4.071 4.340 0.006 0.000 0.210 197 L C 2.748 179.643 176.870 0.042 0.000 1.076 197 L CA 1.634 56.497 54.840 0.038 0.000 0.749 197 L CB -0.288 41.789 42.059 0.030 0.000 0.893 197 L HN 0.350 nan 8.230 nan 0.000 0.432 198 R N -0.426 120.094 120.500 0.033 0.000 2.092 198 R HA -0.161 4.182 4.340 0.006 0.000 0.231 198 R C 2.010 178.345 176.300 0.058 0.000 1.119 198 R CA 1.314 57.434 56.100 0.034 0.000 0.970 198 R CB -0.222 30.084 30.300 0.010 0.000 0.864 198 R HN 0.535 nan 8.270 nan 0.000 0.440 199 E N 0.710 120.954 120.200 0.074 0.000 2.077 199 E HA -0.155 4.199 4.350 0.006 0.000 0.193 199 E C 2.055 178.728 176.600 0.122 0.000 0.989 199 E CA 1.096 57.560 56.400 0.106 0.000 0.800 199 E CB -0.081 29.712 29.700 0.156 0.000 0.746 199 E HN 0.336 nan 8.360 nan 0.000 0.452 200 A N 1.059 123.952 122.820 0.122 0.000 1.933 200 A HA -0.191 4.133 4.320 0.006 0.000 0.218 200 A C 2.129 179.840 177.584 0.211 0.000 1.175 200 A CA 1.322 53.451 52.037 0.153 0.000 0.628 200 A CB -0.468 18.602 19.000 0.117 0.000 0.814 200 A HN 0.150 nan 8.150 nan 0.000 0.444 201 M N -0.909 118.781 119.600 0.149 0.000 2.213 201 M HA -0.137 4.347 4.480 0.006 0.000 0.263 201 M C 1.847 178.263 176.300 0.192 0.000 1.062 201 M CA 1.273 56.675 55.300 0.169 0.000 1.105 201 M CB -0.184 32.466 32.600 0.084 0.000 1.385 201 M HN 0.318 nan 8.290 nan 0.000 0.417 202 E N -0.252 120.016 120.200 0.114 0.000 2.190 202 E HA -0.025 4.329 4.350 0.006 0.000 0.191 202 E C -0.083 176.508 176.600 -0.016 0.000 0.978 202 E CA 0.784 57.212 56.400 0.047 0.000 0.839 202 E CB 0.173 29.901 29.700 0.047 0.000 0.787 202 E HN 0.282 nan 8.360 nan 0.000 0.473 203 D N -0.476 119.950 120.400 0.043 0.000 2.358 203 D HA 0.077 4.721 4.640 0.006 0.000 0.253 203 D C 0.361 176.735 176.300 0.123 0.000 1.288 203 D CA -0.345 53.659 54.000 0.007 0.000 0.950 203 D CB 0.277 41.099 40.800 0.035 0.000 1.197 203 D HN -0.153 nan 8.370 nan 0.000 0.550 204 H N 1.589 120.688 119.070 0.049 0.000 2.489 204 H HA -0.004 4.556 4.556 0.006 0.000 0.293 204 H C 0.484 175.848 175.328 0.061 0.000 1.066 204 H CA 0.833 56.913 56.048 0.053 0.000 1.305 204 H CB 0.280 30.069 29.762 0.045 0.000 1.386 204 H HN 0.430 nan 8.280 nan 0.000 0.551 205 D N 0.034 120.532 120.400 0.163 0.000 2.349 205 D HA 0.078 4.722 4.640 0.006 0.000 0.214 205 D C 0.876 177.251 176.300 0.125 0.000 1.063 205 D CA -0.121 53.952 54.000 0.121 0.000 0.847 205 D CB 0.271 41.120 40.800 0.083 0.000 0.933 205 D HN 0.169 nan 8.370 nan 0.000 0.513 206 L N 1.291 122.603 121.223 0.148 0.000 3.742 206 L HA -0.288 4.056 4.340 0.006 0.000 0.431 206 L C 1.622 178.601 176.870 0.182 0.000 1.220 206 L CA 0.267 55.233 54.840 0.211 0.000 0.863 206 L CB -1.939 40.267 42.059 0.245 0.000 1.751 206 L HN 0.065 nan 8.230 nan 0.000 0.922 207 S N -0.903 114.848 115.700 0.086 0.000 2.465 207 S HA -0.237 4.237 4.470 0.006 0.000 0.241 207 S C 1.702 176.289 174.600 -0.022 0.000 1.000 207 S CA 1.236 59.458 58.200 0.037 0.000 0.964 207 S CB -0.163 63.045 63.200 0.012 0.000 0.763 207 S HN 0.717 nan 8.310 nan 0.000 0.512 208 R N -0.059 120.376 120.500 -0.109 0.000 2.189 208 R HA 0.087 4.431 4.340 0.006 0.000 0.218 208 R C -0.511 175.540 176.300 -0.415 0.000 1.074 208 R CA 0.582 56.493 56.100 -0.315 0.000 0.991 208 R CB -0.015 29.993 30.300 -0.487 0.000 0.883 208 R HN 0.508 nan 8.270 nan 0.000 0.457 209 Y N -0.720 119.590 120.300 0.017 0.000 2.361 209 Y HA 0.171 4.725 4.550 0.006 0.000 0.332 209 Y C 1.278 177.194 175.900 0.028 0.000 1.101 209 Y CA -0.586 57.525 58.100 0.018 0.000 1.137 209 Y CB 2.074 40.545 38.460 0.019 0.000 1.207 209 Y HN -0.034 nan 8.280 nan 0.000 0.463 210 S N -0.556 115.250 115.700 0.177 0.000 2.497 210 S HA 0.113 4.587 4.470 0.006 0.000 0.218 210 S C 0.337 175.039 174.600 0.170 0.000 1.023 210 S CA -0.191 58.093 58.200 0.140 0.000 0.913 210 S CB 0.188 63.453 63.200 0.107 0.000 0.800 210 S HN 0.583 nan 8.310 nan 0.000 0.505 211 C N 1.204 120.620 119.300 0.193 0.000 2.547 211 C HA 0.770 5.234 4.460 0.006 0.000 0.313 211 C C -1.220 173.831 174.990 0.101 0.000 1.191 211 C CA -1.076 58.050 59.018 0.181 0.000 1.474 211 C CB 0.432 28.322 27.740 0.250 0.000 2.081 211 C HN 0.596 nan 8.230 nan 0.000 0.476 212 I N 6.377 126.977 120.570 0.051 0.000 2.418 212 I HA 0.468 4.641 4.170 0.006 0.000 0.287 212 I C -0.509 175.594 176.117 -0.024 0.000 1.008 212 I CA -0.325 60.947 61.300 -0.047 0.000 1.104 212 I CB 1.513 39.470 38.000 -0.072 0.000 1.264 212 I HN 0.516 nan 8.210 nan 0.000 0.438 213 I N 7.385 127.919 120.570 -0.059 0.000 2.359 213 I HA 0.309 4.483 4.170 0.006 0.000 0.284 213 I C -0.456 175.642 176.117 -0.032 0.000 1.018 213 I CA -0.506 60.772 61.300 -0.038 0.000 1.173 213 I CB 1.018 38.976 38.000 -0.070 0.000 1.326 213 I HN 0.309 nan 8.210 nan 0.000 0.462 214 L N 5.629 126.854 121.223 0.004 0.000 2.282 214 L HA 0.310 4.654 4.340 0.006 0.000 0.287 214 L C 0.042 176.940 176.870 0.046 0.000 1.075 214 L CA -0.216 54.645 54.840 0.036 0.000 0.839 214 L CB 0.222 42.332 42.059 0.085 0.000 1.219 214 L HN 0.542 nan 8.230 nan 0.000 0.434 215 D N 3.154 123.573 120.400 0.033 0.000 2.348 215 D HA 0.066 4.710 4.640 0.006 0.000 0.249 215 D C 0.564 176.880 176.300 0.026 0.000 1.110 215 D CA -0.039 53.982 54.000 0.035 0.000 0.967 215 D CB 0.960 41.780 40.800 0.034 0.000 1.139 215 D HN 0.392 nan 8.370 nan 0.000 0.466 216 E N 0.367 120.591 120.200 0.041 0.000 2.360 216 E HA -0.257 4.097 4.350 0.006 0.000 0.238 216 E C 0.712 177.158 176.600 -0.257 0.000 1.186 216 E CA 0.700 57.033 56.400 -0.112 0.000 0.719 216 E CB -1.680 27.939 29.700 -0.135 0.000 1.236 216 E HN 0.501 nan 8.360 nan 0.000 0.386 217 A N 0.793 123.596 122.820 -0.030 0.000 1.972 217 A HA -0.235 4.088 4.320 0.006 0.000 0.219 217 A C 1.883 179.497 177.584 0.051 0.000 1.169 217 A CA 1.731 53.807 52.037 0.066 0.000 0.635 217 A CB -0.814 18.288 19.000 0.171 0.000 0.810 217 A HN 0.645 nan 8.150 nan 0.000 0.446 218 H N -0.688 118.381 119.070 -0.000 0.000 2.489 218 H HA -0.064 4.496 4.556 0.006 0.000 0.295 218 H C 1.206 176.577 175.328 0.072 0.000 1.082 218 H CA 1.325 57.387 56.048 0.022 0.000 1.295 218 H CB -0.429 29.314 29.762 -0.032 0.000 1.380 218 H HN 0.615 nan 8.280 nan 0.000 0.548 219 E N 0.932 120.937 120.200 -0.324 0.000 2.347 219 E HA -0.045 4.308 4.350 0.006 0.000 0.196 219 E C 0.287 176.881 176.600 -0.010 0.000 1.008 219 E CA -0.144 56.170 56.400 -0.142 0.000 0.852 219 E CB 0.150 29.737 29.700 -0.189 0.000 0.783 219 E HN 0.222 nan 8.360 nan 0.000 0.505 220 R N 1.444 121.966 120.500 0.037 0.000 3.251 220 R HA -0.128 4.216 4.340 0.006 0.000 0.249 220 R C 0.068 176.391 176.300 0.037 0.000 0.949 220 R CA 1.126 57.270 56.100 0.074 0.000 0.645 220 R CB -3.028 27.324 30.300 0.087 0.000 1.065 220 R HN 0.376 nan 8.270 nan 0.000 0.452 221 T N -3.312 111.259 114.554 0.028 0.000 2.802 221 T HA 0.276 4.629 4.350 0.006 0.000 0.305 221 T C 1.942 176.657 174.700 0.025 0.000 1.053 221 T CA -0.550 61.563 62.100 0.021 0.000 1.058 221 T CB 1.181 70.060 68.868 0.019 0.000 0.988 221 T HN 0.268 nan 8.240 nan 0.000 0.539 222 L N 1.114 122.342 121.223 0.008 0.000 1.989 222 L HA -0.078 4.266 4.340 0.006 0.000 0.211 222 L C 3.076 179.977 176.870 0.052 0.000 1.071 222 L CA 1.939 56.780 54.840 0.003 0.000 0.749 222 L CB -1.055 40.989 42.059 -0.025 0.000 0.890 222 L HN 0.999 nan 8.230 nan 0.000 0.431 223 A N -0.719 122.128 122.820 0.045 0.000 1.902 223 A HA -0.271 4.053 4.320 0.006 0.000 0.217 223 A C 2.365 180.000 177.584 0.086 0.000 1.181 223 A CA 2.412 54.483 52.037 0.058 0.000 0.623 223 A CB -1.062 17.960 19.000 0.038 0.000 0.818 223 A HN 0.570 nan 8.150 nan 0.000 0.443 224 T N -2.091 112.513 114.554 0.083 0.000 2.867 224 T HA -0.135 4.218 4.350 0.006 0.000 0.268 224 T C 1.391 176.183 174.700 0.152 0.000 1.057 224 T CA 1.788 63.956 62.100 0.113 0.000 1.136 224 T CB -0.490 68.444 68.868 0.108 0.000 0.874 224 T HN 0.326 nan 8.240 nan 0.000 0.466 225 D N 1.157 121.642 120.400 0.141 0.000 2.117 225 D HA 0.026 4.670 4.640 0.006 0.000 0.197 225 D C 2.022 178.510 176.300 0.312 0.000 0.987 225 D CA 1.006 55.114 54.000 0.180 0.000 0.829 225 D CB -0.365 40.523 40.800 0.147 0.000 0.961 225 D HN 0.494 nan 8.370 nan 0.000 0.460 226 I N 0.268 121.027 120.570 0.314 0.000 2.179 226 I HA -0.247 3.927 4.170 0.006 0.000 0.242 226 I C 2.342 178.621 176.117 0.270 0.000 1.088 226 I CA 0.727 62.217 61.300 0.317 0.000 1.357 226 I CB -0.228 37.869 38.000 0.163 0.000 1.051 226 I HN 0.007 nan 8.210 nan 0.000 0.409 227 L N -0.229 121.112 121.223 0.198 0.000 2.042 227 L HA -0.264 4.080 4.340 0.006 0.000 0.210 227 L C 2.707 179.718 176.870 0.235 0.000 1.076 227 L CA 1.536 56.483 54.840 0.179 0.000 0.749 227 L CB -0.465 41.671 42.059 0.129 0.000 0.893 227 L HN 0.294 nan 8.230 nan 0.000 0.432 228 M N -0.759 119.011 119.600 0.284 0.000 2.117 228 M HA -0.149 4.335 4.480 0.006 0.000 0.262 228 M C 2.302 178.811 176.300 0.349 0.000 1.065 228 M CA 1.851 57.406 55.300 0.424 0.000 1.114 228 M CB -0.941 31.899 32.600 0.400 0.000 1.361 228 M HN 0.398 nan 8.290 nan 0.000 0.408 229 G N 0.810 109.754 108.800 0.240 0.000 2.552 229 G HA2 -0.195 3.769 3.960 0.006 0.000 0.216 229 G HA3 -0.195 3.769 3.960 0.006 0.000 0.216 229 G C 1.418 176.325 174.900 0.012 0.000 1.240 229 G CA 0.661 45.753 45.100 -0.013 0.000 0.796 229 G HN 0.336 nan 8.290 nan 0.000 0.568 230 L N 0.082 121.427 121.223 0.204 0.000 2.021 230 L HA -0.160 4.184 4.340 0.006 0.000 0.215 230 L C 2.980 179.914 176.870 0.106 0.000 1.074 230 L CA 0.999 55.939 54.840 0.165 0.000 0.760 230 L CB -0.498 41.668 42.059 0.179 0.000 0.889 230 L HN 0.190 nan 8.230 nan 0.000 0.433 231 L N -0.600 120.712 121.223 0.149 0.000 2.201 231 L HA -0.208 4.136 4.340 0.006 0.000 0.212 231 L C 2.641 179.592 176.870 0.134 0.000 1.105 231 L CA 0.947 55.870 54.840 0.139 0.000 0.775 231 L CB -0.492 41.661 42.059 0.157 0.000 0.913 231 L HN 0.273 nan 8.230 nan 0.000 0.440 232 K N -0.095 120.396 120.400 0.152 0.000 2.015 232 K HA -0.266 4.057 4.320 0.006 0.000 0.216 232 K C 2.273 178.879 176.600 0.011 0.000 1.052 232 K CA 1.757 58.090 56.287 0.077 0.000 0.937 232 K CB 0.036 32.479 32.500 -0.094 0.000 0.719 232 K HN 0.199 nan 8.250 nan 0.000 0.446 233 Q N 0.058 119.845 119.800 -0.022 0.000 2.123 233 Q HA -0.070 4.274 4.340 0.006 0.000 0.199 233 Q C 2.273 178.278 176.000 0.009 0.000 0.966 233 Q CA 1.063 56.848 55.803 -0.029 0.000 0.845 233 Q CB -0.236 28.473 28.738 -0.048 0.000 0.907 233 Q HN 0.218 nan 8.270 nan 0.000 0.439 234 V N 0.538 120.474 119.914 0.036 0.000 2.469 234 V HA -0.186 3.938 4.120 0.006 0.000 0.251 234 V C 2.350 178.467 176.094 0.037 0.000 1.064 234 V CA 1.295 63.625 62.300 0.050 0.000 1.066 234 V CB -0.590 31.276 31.823 0.072 0.000 0.667 234 V HN 0.120 nan 8.190 nan 0.000 0.461 235 V N -0.507 119.427 119.914 0.033 0.000 2.626 235 V HA -0.197 3.927 4.120 0.006 0.000 0.252 235 V C 2.364 178.462 176.094 0.006 0.000 1.067 235 V CA 1.808 64.121 62.300 0.021 0.000 1.081 235 V CB -0.368 31.471 31.823 0.026 0.000 0.686 235 V HN 0.580 nan 8.190 nan 0.000 0.468 236 K N -0.495 119.906 120.400 0.002 0.000 2.217 236 K HA -0.039 4.285 4.320 0.006 0.000 0.202 236 K C 2.149 178.749 176.600 0.000 0.000 1.051 236 K CA 0.978 57.262 56.287 -0.006 0.000 0.952 236 K CB -0.088 32.403 32.500 -0.016 0.000 0.736 236 K HN 0.415 nan 8.250 nan 0.000 0.453 237 R N 0.838 121.344 120.500 0.010 0.000 2.223 237 R HA 0.058 4.402 4.340 0.006 0.000 0.198 237 R C 0.181 176.492 176.300 0.018 0.000 0.984 237 R CA 0.342 56.451 56.100 0.016 0.000 1.018 237 R CB 0.290 30.606 30.300 0.027 0.000 0.945 237 R HN 0.124 nan 8.270 nan 0.000 0.479 238 R N 0.516 121.028 120.500 0.019 0.000 2.468 238 R HA 0.319 4.663 4.340 0.006 0.000 0.302 238 R C -2.682 173.623 176.300 0.007 0.000 1.041 238 R CA -1.960 54.151 56.100 0.018 0.000 0.899 238 R CB 1.499 31.817 30.300 0.030 0.000 1.167 238 R HN -0.212 nan 8.270 nan 0.000 0.483 239 P HA -0.148 nan 4.420 nan 0.000 0.226 239 P C 0.320 177.611 177.300 -0.015 0.000 1.153 239 P CA 0.990 64.081 63.100 -0.014 0.000 0.777 239 P CB 0.178 31.871 31.700 -0.012 0.000 0.794 240 D N -1.277 119.127 120.400 0.006 0.000 2.340 240 D HA -0.006 4.637 4.640 0.006 0.000 0.220 240 D C 0.344 176.662 176.300 0.030 0.000 1.039 240 D CA 0.012 54.026 54.000 0.024 0.000 0.866 240 D CB -0.332 40.488 40.800 0.033 0.000 0.913 240 D HN 0.132 nan 8.370 nan 0.000 0.523 241 L N 0.527 121.759 121.223 0.016 0.000 2.282 241 L HA 0.418 4.762 4.340 0.006 0.000 0.288 241 L C -0.556 176.308 176.870 -0.011 0.000 1.033 241 L CA -0.488 54.370 54.840 0.031 0.000 0.807 241 L CB 1.285 43.372 42.059 0.047 0.000 1.209 241 L HN -0.266 nan 8.230 nan 0.000 0.423 242 K N 5.572 125.973 120.400 0.001 0.000 2.156 242 K HA 0.671 4.995 4.320 0.006 0.000 0.254 242 K C -1.239 175.383 176.600 0.037 0.000 0.950 242 K CA -0.597 55.662 56.287 -0.047 0.000 0.849 242 K CB 1.966 34.353 32.500 -0.188 0.000 1.100 242 K HN 0.568 nan 8.250 nan 0.000 0.434 243 I N 3.737 124.310 120.570 0.005 0.000 2.499 243 I HA 0.382 4.556 4.170 0.006 0.000 0.288 243 I C -0.853 175.268 176.117 0.007 0.000 1.048 243 I CA -0.685 60.612 61.300 -0.005 0.000 1.062 243 I CB 1.709 39.664 38.000 -0.074 0.000 1.238 243 I HN 0.403 nan 8.210 nan 0.000 0.426 244 I N 6.490 127.088 120.570 0.046 0.000 2.436 244 I HA 0.420 4.594 4.170 0.006 0.000 0.289 244 I C -0.649 175.483 176.117 0.025 0.000 1.010 244 I CA -0.773 60.577 61.300 0.083 0.000 1.098 244 I CB 2.027 40.126 38.000 0.164 0.000 1.266 244 I HN 0.266 nan 8.210 nan 0.000 0.434 245 I N 6.699 127.284 120.570 0.024 0.000 2.330 245 I HA 0.424 4.597 4.170 0.006 0.000 0.289 245 I C -0.094 176.084 176.117 0.102 0.000 1.001 245 I CA -0.328 61.006 61.300 0.056 0.000 1.193 245 I CB 1.165 39.215 38.000 0.084 0.000 1.345 245 I HN 0.498 nan 8.210 nan 0.000 0.461 246 M N 4.523 124.175 119.600 0.086 0.000 2.436 246 M HA 0.500 4.983 4.480 0.006 0.000 0.331 246 M C -0.118 176.237 176.300 0.091 0.000 1.135 246 M CA -0.381 54.985 55.300 0.111 0.000 0.987 246 M CB 2.396 35.031 32.600 0.058 0.000 1.687 246 M HN 0.580 nan 8.290 nan 0.000 0.445 247 S N 0.327 116.085 115.700 0.097 0.000 2.550 247 S HA 0.709 5.183 4.470 0.006 0.000 0.270 247 S C -0.045 174.558 174.600 0.005 0.000 1.145 247 S CA -0.145 58.125 58.200 0.117 0.000 0.852 247 S CB 1.889 65.017 63.200 -0.120 0.000 1.119 247 S HN 0.772 nan 8.310 nan 0.000 0.465 248 A N 1.739 124.413 122.820 -0.244 0.000 2.081 248 A HA 0.257 4.581 4.320 0.006 0.000 0.214 248 A C 1.096 178.495 177.584 -0.308 0.000 1.158 248 A CA 1.090 52.904 52.037 -0.372 0.000 0.724 248 A CB -0.790 17.835 19.000 -0.624 0.000 0.826 248 A HN 1.149 nan 8.150 nan 0.000 0.463 249 T N -0.787 113.584 114.554 -0.306 0.000 2.752 249 T HA 0.434 4.788 4.350 0.006 0.000 0.295 249 T C 0.760 175.391 174.700 -0.115 0.000 0.923 249 T CA -0.488 61.509 62.100 -0.171 0.000 1.112 249 T CB 0.411 69.215 68.868 -0.106 0.000 0.884 249 T HN 0.217 nan 8.240 nan 0.000 0.525 250 L N 1.527 122.699 121.223 -0.086 0.000 2.642 250 L HA 0.037 4.380 4.340 0.006 0.000 0.236 250 L C 1.490 178.334 176.870 -0.043 0.000 1.169 250 L CA 0.405 55.206 54.840 -0.065 0.000 0.851 250 L CB -0.690 41.336 42.059 -0.054 0.000 0.968 250 L HN 0.777 nan 8.230 nan 0.000 0.453 251 D N 0.805 121.183 120.400 -0.036 0.000 2.351 251 D HA 0.238 4.882 4.640 0.006 0.000 0.251 251 D C 0.389 176.689 176.300 0.001 0.000 1.137 251 D CA 0.561 54.561 54.000 -0.001 0.000 0.879 251 D CB 2.242 43.054 40.800 0.020 0.000 1.181 251 D HN 0.093 nan 8.370 nan 0.000 0.448 252 A N 3.770 126.619 122.820 0.049 0.000 2.150 252 A HA 0.079 4.403 4.320 0.006 0.000 0.191 252 A C 1.616 179.312 177.584 0.187 0.000 1.591 252 A CA 0.135 52.226 52.037 0.090 0.000 1.142 252 A CB -0.019 19.009 19.000 0.048 0.000 1.326 252 A HN 0.510 nan 8.150 nan 0.000 0.470 253 E N 1.604 121.886 120.200 0.136 0.000 2.082 253 E HA -0.284 4.070 4.350 0.006 0.000 0.215 253 E C 1.635 178.342 176.600 0.179 0.000 1.048 253 E CA 2.342 58.821 56.400 0.132 0.000 0.869 253 E CB -0.346 29.408 29.700 0.090 0.000 0.773 253 E HN 0.640 nan 8.360 nan 0.000 0.466 254 K N -0.543 119.976 120.400 0.197 0.000 2.113 254 K HA -0.159 4.165 4.320 0.006 0.000 0.208 254 K C 2.147 178.860 176.600 0.189 0.000 1.047 254 K CA 1.523 57.910 56.287 0.166 0.000 0.928 254 K CB -0.335 32.248 32.500 0.139 0.000 0.716 254 K HN 0.100 nan 8.250 nan 0.000 0.446 255 F N 1.650 121.683 119.950 0.138 0.000 2.146 255 F HA -0.169 4.362 4.527 0.006 0.000 0.298 255 F C 2.597 178.597 175.800 0.332 0.000 1.096 255 F CA 1.107 59.257 58.000 0.249 0.000 1.275 255 F CB -0.136 39.028 39.000 0.272 0.000 1.008 255 F HN 0.046 nan 8.300 nan 0.000 0.480 256 Q N 0.104 120.151 119.800 0.412 0.000 2.096 256 Q HA -0.191 4.153 4.340 0.006 0.000 0.204 256 Q C 2.311 178.446 176.000 0.226 0.000 0.982 256 Q CA 1.254 57.237 55.803 0.300 0.000 0.850 256 Q CB -0.262 28.593 28.738 0.195 0.000 0.901 256 Q HN 0.346 nan 8.270 nan 0.000 0.422 257 R N 0.073 120.674 120.500 0.168 0.000 2.073 257 R HA -0.179 4.165 4.340 0.006 0.000 0.234 257 R C 2.152 178.487 176.300 0.058 0.000 1.134 257 R CA 1.455 57.612 56.100 0.095 0.000 0.952 257 R CB -1.038 29.307 30.300 0.075 0.000 0.850 257 R HN 0.388 nan 8.270 nan 0.000 0.433 258 Y N 0.805 121.050 120.300 -0.092 0.000 2.207 258 Y HA -0.162 4.392 4.550 0.006 0.000 0.287 258 Y C 0.908 176.595 175.900 -0.355 0.000 1.156 258 Y CA 1.275 59.199 58.100 -0.292 0.000 1.182 258 Y CB -0.158 37.999 38.460 -0.505 0.000 0.979 258 Y HN -0.127 nan 8.280 nan 0.000 0.521 259 F N 2.098 122.068 119.950 0.033 0.000 2.974 259 F HA 0.229 4.760 4.527 0.007 0.000 0.292 259 F C 0.112 175.889 175.800 -0.039 0.000 1.209 259 F CA -0.621 57.360 58.000 -0.032 0.000 1.366 259 F CB -0.870 38.192 39.000 0.104 0.000 1.033 259 F HN 0.048 nan 8.300 nan 0.000 0.516 260 N N 1.084 119.800 118.700 0.027 0.000 2.727 260 N HA -0.239 4.504 4.740 0.006 0.000 0.251 260 N C -0.622 174.918 175.510 0.052 0.000 1.040 260 N CA 1.078 54.136 53.050 0.013 0.000 0.712 260 N CB -1.291 37.194 38.487 -0.002 0.000 0.912 260 N HN 0.435 nan 8.380 nan 0.000 0.545 261 D N -2.919 117.525 120.400 0.072 0.000 2.772 261 D HA -0.187 4.457 4.640 0.006 0.000 0.233 261 D C 0.653 177.004 176.300 0.085 0.000 1.143 261 D CA 1.377 55.421 54.000 0.074 0.000 0.700 261 D CB -1.343 39.482 40.800 0.041 0.000 1.076 261 D HN 0.808 nan 8.370 nan 0.000 0.430 262 A N 0.438 123.334 122.820 0.128 0.000 2.507 262 A HA 0.401 4.725 4.320 0.006 0.000 0.235 262 A C -1.604 176.036 177.584 0.093 0.000 1.070 262 A CA -0.479 51.624 52.037 0.110 0.000 0.768 262 A CB 0.218 19.305 19.000 0.145 0.000 1.011 262 A HN 0.074 nan 8.150 nan 0.000 0.502 263 P HA 0.401 nan 4.420 nan 0.000 0.276 263 P C -0.951 176.389 177.300 0.068 0.000 1.244 263 P CA -0.265 62.868 63.100 0.054 0.000 0.801 263 P CB 0.901 32.621 31.700 0.033 0.000 1.006 264 L N 2.242 123.494 121.223 0.049 0.000 2.362 264 L HA 0.585 4.929 4.340 0.006 0.000 0.275 264 L C -1.306 175.557 176.870 -0.012 0.000 0.998 264 L CA -0.828 54.032 54.840 0.033 0.000 0.820 264 L CB 1.482 43.556 42.059 0.025 0.000 1.270 264 L HN 0.248 nan 8.230 nan 0.000 0.415 265 L N 5.063 126.247 121.223 -0.065 0.000 2.313 265 L HA 0.914 5.258 4.340 0.006 0.000 0.283 265 L C -0.656 175.987 176.870 -0.379 0.000 1.013 265 L CA -0.268 54.459 54.840 -0.188 0.000 0.816 265 L CB 1.454 43.413 42.059 -0.165 0.000 1.236 265 L HN 0.877 nan 8.230 nan 0.000 0.419 266 A N 4.981 127.637 122.820 -0.273 0.000 2.331 266 A HA 0.705 5.029 4.320 0.006 0.000 0.320 266 A C -1.010 176.433 177.584 -0.236 0.000 1.138 266 A CA -0.530 51.353 52.037 -0.257 0.000 0.790 266 A CB 1.583 20.502 19.000 -0.136 0.000 1.206 266 A HN 0.452 nan 8.150 nan 0.000 0.470 267 V N 4.283 124.059 119.914 -0.230 0.000 2.406 267 V HA 0.293 4.417 4.120 0.006 0.000 0.272 267 V C -2.064 173.988 176.094 -0.069 0.000 1.043 267 V CA -1.286 60.943 62.300 -0.117 0.000 0.915 267 V CB 0.938 32.732 31.823 -0.048 0.000 0.988 267 V HN 0.812 nan 8.190 nan 0.000 0.466 268 P HA 0.167 nan 4.420 nan 0.000 0.268 268 P C 0.374 177.649 177.300 -0.041 0.000 1.205 268 P CA 0.228 63.303 63.100 -0.043 0.000 0.771 268 P CB 0.484 32.164 31.700 -0.034 0.000 0.858 269 G N 2.254 111.026 108.800 -0.047 0.000 2.441 269 G HA2 0.127 4.090 3.960 0.006 0.000 0.243 269 G HA3 0.127 4.090 3.960 0.006 0.000 0.243 269 G C 0.211 175.066 174.900 -0.075 0.000 1.281 269 G CA -0.469 44.599 45.100 -0.052 0.000 0.854 269 G HN 0.458 nan 8.290 nan 0.000 0.560 270 R N 0.777 121.223 120.500 -0.090 0.000 2.659 270 R HA 0.123 4.467 4.340 0.006 0.000 0.418 270 R C -0.005 176.152 176.300 -0.237 0.000 1.076 270 R CA -0.235 55.767 56.100 -0.162 0.000 1.093 270 R CB 0.781 31.003 30.300 -0.129 0.000 1.400 270 R HN 0.486 nan 8.270 nan 0.000 0.583 271 T N 1.257 115.720 114.554 -0.153 0.000 2.814 271 T HA 0.176 4.530 4.350 0.006 0.000 0.297 271 T C -0.085 174.541 174.700 -0.125 0.000 0.956 271 T CA 0.215 62.256 62.100 -0.098 0.000 1.123 271 T CB 0.308 69.162 68.868 -0.024 0.000 0.902 271 T HN 0.021 nan 8.240 nan 0.000 0.528 272 Y N 3.320 123.610 120.300 -0.015 0.000 2.330 272 Y HA 0.257 4.811 4.550 0.006 0.000 0.341 272 Y C -1.589 174.297 175.900 -0.024 0.000 1.278 272 Y CA -1.969 56.119 58.100 -0.020 0.000 1.453 272 Y CB -0.136 38.309 38.460 -0.025 0.000 1.342 272 Y HN 0.480 nan 8.280 nan 0.000 0.590 273 P HA 0.052 nan 4.420 nan 0.000 0.267 273 P C -1.260 176.067 177.300 0.045 0.000 1.200 273 P CA 0.119 63.258 63.100 0.066 0.000 0.772 273 P CB 0.523 32.256 31.700 0.055 0.000 0.855 274 V N 2.746 122.663 119.914 0.005 0.000 2.443 274 V HA 0.196 4.319 4.120 0.006 0.000 0.293 274 V C 0.181 176.238 176.094 -0.061 0.000 1.021 274 V CA -0.645 61.642 62.300 -0.021 0.000 0.848 274 V CB 1.392 33.201 31.823 -0.023 0.000 0.998 274 V HN 0.521 nan 8.190 nan 0.000 0.424 275 E N 4.765 124.928 120.200 -0.062 0.000 2.316 275 E HA 0.408 4.761 4.350 0.006 0.000 0.275 275 E C -1.164 175.308 176.600 -0.213 0.000 1.029 275 E CA -0.399 55.921 56.400 -0.134 0.000 0.871 275 E CB 0.826 30.470 29.700 -0.094 0.000 1.022 275 E HN 0.568 nan 8.360 nan 0.000 0.418 276 L N 5.407 126.432 121.223 -0.331 0.000 2.282 276 L HA 0.354 4.698 4.340 0.006 0.000 0.288 276 L C -0.910 175.615 176.870 -0.575 0.000 1.033 276 L CA -0.761 53.819 54.840 -0.434 0.000 0.807 276 L CB 0.730 42.523 42.059 -0.444 0.000 1.209 276 L HN 0.579 nan 8.230 nan 0.000 0.423 277 Y N 2.045 121.966 120.300 -0.633 0.000 2.352 277 Y HA 0.499 5.053 4.550 0.006 0.000 0.339 277 Y C -0.557 175.045 175.900 -0.497 0.000 0.992 277 Y CA -0.629 57.205 58.100 -0.444 0.000 1.100 277 Y CB 1.516 39.713 38.460 -0.438 0.000 1.192 277 Y HN 0.329 nan 8.280 nan 0.000 0.458 278 Y N 0.180 120.465 120.300 -0.025 0.000 2.549 278 Y HA 0.406 4.960 4.550 0.007 0.000 0.339 278 Y C 0.453 176.364 175.900 0.018 0.000 1.053 278 Y CA -1.348 56.712 58.100 -0.068 0.000 1.105 278 Y CB 1.846 40.261 38.460 -0.076 0.000 1.258 278 Y HN 0.562 nan 8.280 nan 0.000 0.478 279 T N -0.856 113.807 114.554 0.182 0.000 2.907 279 T HA 0.198 4.552 4.350 0.006 0.000 0.298 279 T C -2.159 172.637 174.700 0.159 0.000 1.017 279 T CA -1.628 60.564 62.100 0.153 0.000 1.118 279 T CB 1.382 70.326 68.868 0.127 0.000 0.948 279 T HN 0.365 nan 8.240 nan 0.000 0.531 280 P HA 0.063 nan 4.420 nan 0.000 0.217 280 P C 0.323 177.695 177.300 0.120 0.000 1.151 280 P CA 1.026 64.191 63.100 0.109 0.000 0.828 280 P CB 0.251 32.004 31.700 0.089 0.000 0.788 281 E N -1.101 119.177 120.200 0.131 0.000 2.281 281 E HA 0.252 4.606 4.350 0.006 0.000 0.262 281 E C -0.453 176.274 176.600 0.213 0.000 0.933 281 E CA -1.294 55.203 56.400 0.163 0.000 0.809 281 E CB 0.871 30.653 29.700 0.137 0.000 1.242 281 E HN -0.058 nan 8.360 nan 0.000 0.418 282 F N 1.453 121.476 119.950 0.122 0.000 2.602 282 F HA -0.022 4.509 4.527 0.006 0.000 0.367 282 F C 0.243 176.136 175.800 0.155 0.000 1.126 282 F CA 0.366 58.456 58.000 0.149 0.000 1.321 282 F CB 0.530 39.607 39.000 0.128 0.000 1.094 282 F HN 0.207 nan 8.300 nan 0.000 0.594 283 Q N 4.572 123.864 119.800 -0.847 0.000 2.425 283 Q HA 0.258 4.602 4.340 0.006 0.000 0.254 283 Q C 0.704 176.189 176.000 -0.858 0.000 1.032 283 Q CA -0.534 54.937 55.803 -0.554 0.000 0.798 283 Q CB 1.214 29.863 28.738 -0.147 0.000 1.210 283 Q HN 0.698 nan 8.270 nan 0.000 0.491 284 R N 1.923 122.085 120.500 -0.562 0.000 2.092 284 R HA 0.011 4.355 4.340 0.006 0.000 0.231 284 R C -0.588 175.647 176.300 -0.109 0.000 1.119 284 R CA 1.467 57.428 56.100 -0.232 0.000 0.970 284 R CB 0.532 30.872 30.300 0.067 0.000 0.864 284 R HN 0.474 nan 8.270 nan 0.000 0.440 285 D N 0.157 120.492 120.400 -0.108 0.000 2.446 285 D HA 0.053 4.697 4.640 0.006 0.000 0.251 285 D C 0.030 176.273 176.300 -0.095 0.000 1.137 285 D CA -0.344 53.578 54.000 -0.130 0.000 0.890 285 D CB 0.853 41.590 40.800 -0.105 0.000 1.071 285 D HN 0.249 nan 8.370 nan 0.000 0.528 286 Y N 0.884 121.158 120.300 -0.044 0.000 2.337 286 Y HA -0.033 4.521 4.550 0.006 0.000 0.293 286 Y C 1.752 177.661 175.900 0.016 0.000 1.123 286 Y CA 0.186 58.295 58.100 0.015 0.000 1.201 286 Y CB -0.383 38.140 38.460 0.106 0.000 1.011 286 Y HN 0.244 nan 8.280 nan 0.000 0.545 287 L N 1.644 122.755 121.223 -0.187 0.000 1.989 287 L HA -0.197 4.147 4.340 0.006 0.000 0.211 287 L C 1.693 178.575 176.870 0.021 0.000 1.071 287 L CA 2.211 57.039 54.840 -0.020 0.000 0.749 287 L CB -1.040 40.917 42.059 -0.169 0.000 0.890 287 L HN 0.208 nan 8.230 nan 0.000 0.431 288 D N -1.343 119.040 120.400 -0.030 0.000 2.178 288 D HA -0.158 4.486 4.640 0.006 0.000 0.202 288 D C 2.372 178.674 176.300 0.003 0.000 0.974 288 D CA 1.331 55.321 54.000 -0.017 0.000 0.841 288 D CB -0.108 40.672 40.800 -0.033 0.000 0.953 288 D HN 0.426 nan 8.370 nan 0.000 0.478 289 S N 0.124 115.839 115.700 0.026 0.000 2.368 289 S HA -0.135 4.339 4.470 0.006 0.000 0.225 289 S C 2.056 176.679 174.600 0.039 0.000 1.030 289 S CA 1.446 59.668 58.200 0.035 0.000 0.999 289 S CB -0.135 63.103 63.200 0.063 0.000 0.844 289 S HN 0.238 nan 8.310 nan 0.000 0.459 290 A N 1.375 124.250 122.820 0.090 0.000 1.902 290 A HA -0.010 4.314 4.320 0.006 0.000 0.217 290 A C 2.141 179.733 177.584 0.014 0.000 1.181 290 A CA 1.580 53.663 52.037 0.077 0.000 0.623 290 A CB -0.802 18.292 19.000 0.157 0.000 0.818 290 A HN 0.631 nan 8.150 nan 0.000 0.443 291 I N -1.285 119.292 120.570 0.013 0.000 2.226 291 I HA -0.242 3.932 4.170 0.006 0.000 0.245 291 I C 2.740 178.829 176.117 -0.045 0.000 1.100 291 I CA 1.604 62.894 61.300 -0.017 0.000 1.374 291 I CB -0.307 37.685 38.000 -0.013 0.000 1.057 291 I HN 0.350 nan 8.210 nan 0.000 0.413 292 R N 0.341 120.815 120.500 -0.044 0.000 2.081 292 R HA -0.210 4.134 4.340 0.006 0.000 0.235 292 R C 2.471 178.706 176.300 -0.109 0.000 1.131 292 R CA 2.144 58.206 56.100 -0.063 0.000 0.960 292 R CB -0.332 29.940 30.300 -0.047 0.000 0.856 292 R HN 0.391 nan 8.270 nan 0.000 0.436 293 T N -1.224 113.251 114.554 -0.133 0.000 2.904 293 T HA -0.020 4.334 4.350 0.006 0.000 0.267 293 T C 1.850 176.363 174.700 -0.312 0.000 1.059 293 T CA 1.163 63.109 62.100 -0.257 0.000 1.137 293 T CB -0.086 68.602 68.868 -0.300 0.000 0.879 293 T HN 0.068 nan 8.240 nan 0.000 0.467 294 V N 1.584 121.379 119.914 -0.198 0.000 2.287 294 V HA -0.095 4.029 4.120 0.006 0.000 0.248 294 V C 2.763 178.770 176.094 -0.146 0.000 1.053 294 V CA 1.906 64.103 62.300 -0.172 0.000 1.027 294 V CB -0.644 31.117 31.823 -0.102 0.000 0.646 294 V HN 0.502 nan 8.190 nan 0.000 0.447 295 L N -0.595 120.563 121.223 -0.109 0.000 2.093 295 L HA -0.210 4.134 4.340 0.006 0.000 0.208 295 L C 2.600 179.415 176.870 -0.092 0.000 1.085 295 L CA 1.759 56.563 54.840 -0.059 0.000 0.755 295 L CB -0.597 41.433 42.059 -0.048 0.000 0.904 295 L HN 0.393 nan 8.230 nan 0.000 0.435 296 Q N 0.809 120.515 119.800 -0.156 0.000 2.050 296 Q HA -0.219 4.125 4.340 0.006 0.000 0.202 296 Q C 2.333 178.182 176.000 -0.251 0.000 0.980 296 Q CA 1.752 57.440 55.803 -0.191 0.000 0.840 296 Q CB -0.079 28.530 28.738 -0.216 0.000 0.898 296 Q HN 0.471 nan 8.270 nan 0.000 0.424 297 I N 0.170 120.527 120.570 -0.355 0.000 2.151 297 I HA -0.365 3.808 4.170 0.006 0.000 0.243 297 I C 2.625 178.567 176.117 -0.291 0.000 1.080 297 I CA 1.772 62.804 61.300 -0.447 0.000 1.339 297 I CB -0.604 37.052 38.000 -0.573 0.000 1.039 297 I HN 0.459 nan 8.210 nan 0.000 0.409 298 H N 0.805 119.714 119.070 -0.268 0.000 2.423 298 H HA -0.098 4.462 4.556 0.006 0.000 0.297 298 H C 2.121 177.364 175.328 -0.143 0.000 1.075 298 H CA 1.284 57.222 56.048 -0.183 0.000 1.342 298 H CB 0.368 30.050 29.762 -0.132 0.000 1.395 298 H HN 0.375 nan 8.280 nan 0.000 0.530 299 A N 0.012 122.672 122.820 -0.266 0.000 2.081 299 A HA -0.028 4.296 4.320 0.006 0.000 0.214 299 A C 2.240 179.699 177.584 -0.209 0.000 1.158 299 A CA 1.191 53.057 52.037 -0.285 0.000 0.724 299 A CB -0.220 18.671 19.000 -0.180 0.000 0.826 299 A HN 0.605 nan 8.150 nan 0.000 0.463 300 T N -3.878 110.564 114.554 -0.187 0.000 2.954 300 T HA 0.193 4.546 4.350 0.006 0.000 0.252 300 T C 0.305 174.933 174.700 -0.120 0.000 0.983 300 T CA -0.207 61.810 62.100 -0.137 0.000 0.941 300 T CB 0.123 68.920 68.868 -0.119 0.000 1.141 300 T HN 0.189 nan 8.240 nan 0.000 0.500 301 E N 2.535 122.632 120.200 -0.171 0.000 2.250 301 E HA 0.335 4.689 4.350 0.006 0.000 0.269 301 E C -0.000 176.583 176.600 -0.028 0.000 1.018 301 E CA -0.449 55.876 56.400 -0.126 0.000 0.873 301 E CB 1.343 30.813 29.700 -0.383 0.000 1.134 301 E HN 0.696 nan 8.360 nan 0.000 0.403 302 E N 0.305 120.557 120.200 0.087 0.000 2.397 302 E HA 0.419 4.772 4.350 0.006 0.000 0.254 302 E C -0.082 176.622 176.600 0.174 0.000 1.231 302 E CA -0.743 55.716 56.400 0.098 0.000 0.954 302 E CB 0.362 30.112 29.700 0.083 0.000 1.024 302 E HN 0.480 nan 8.360 nan 0.000 0.481 303 A N 0.357 123.246 122.820 0.115 0.000 2.624 303 A HA 0.358 4.681 4.320 0.006 0.000 0.231 303 A C 0.677 178.369 177.584 0.179 0.000 1.034 303 A CA 0.954 53.065 52.037 0.123 0.000 0.754 303 A CB -0.695 18.340 19.000 0.059 0.000 0.953 303 A HN 0.923 nan 8.150 nan 0.000 0.509 304 G N 2.112 111.028 108.800 0.194 0.000 2.249 304 G HA2 0.391 4.354 3.960 0.006 0.000 0.252 304 G HA3 0.391 4.354 3.960 0.006 0.000 0.252 304 G C -1.255 173.797 174.900 0.254 0.000 1.697 304 G CA -0.588 44.604 45.100 0.152 0.000 0.916 304 G HN 0.756 nan 8.290 nan 0.000 0.725 305 D N 0.363 120.838 120.400 0.125 0.000 2.348 305 D HA 0.595 5.239 4.640 0.006 0.000 0.249 305 D C 0.643 177.045 176.300 0.170 0.000 1.110 305 D CA 0.084 54.158 54.000 0.123 0.000 0.967 305 D CB 1.677 42.508 40.800 0.051 0.000 1.139 305 D HN 0.396 nan 8.370 nan 0.000 0.466 306 I N 1.106 121.745 120.570 0.115 0.000 2.404 306 I HA 0.235 4.409 4.170 0.006 0.000 0.293 306 I C -0.671 175.457 176.117 0.019 0.000 0.992 306 I CA -1.000 60.366 61.300 0.110 0.000 1.149 306 I CB 1.773 39.803 38.000 0.051 0.000 1.315 306 I HN -0.018 nan 8.210 nan 0.000 0.446 307 L N 7.514 128.742 121.223 0.007 0.000 2.298 307 L HA 0.534 4.878 4.340 0.006 0.000 0.284 307 L C -1.166 175.622 176.870 -0.138 0.000 1.013 307 L CA -0.514 54.251 54.840 -0.125 0.000 0.824 307 L CB 1.412 43.370 42.059 -0.168 0.000 1.221 307 L HN 0.486 nan 8.230 nan 0.000 0.418 308 L N 5.435 126.551 121.223 -0.178 0.000 2.296 308 L HA 0.598 4.941 4.340 0.006 0.000 0.286 308 L C -1.346 175.424 176.870 -0.166 0.000 1.023 308 L CA 0.113 54.904 54.840 -0.080 0.000 0.812 308 L CB 0.993 43.042 42.059 -0.016 0.000 1.223 308 L HN 0.436 nan 8.230 nan 0.000 0.421 309 F N 6.048 126.038 119.950 0.067 0.000 2.391 309 F HA 0.492 5.022 4.527 0.007 0.000 0.359 309 F C 0.212 176.057 175.800 0.075 0.000 1.122 309 F CA -0.066 57.976 58.000 0.069 0.000 1.120 309 F CB 0.792 39.832 39.000 0.067 0.000 1.142 309 F HN 0.399 nan 8.300 nan 0.000 0.483 310 L N 1.166 122.525 121.223 0.227 0.000 2.535 310 L HA 0.508 4.851 4.340 0.006 0.000 0.259 310 L C 0.938 177.930 176.870 0.204 0.000 1.263 310 L CA -0.525 54.437 54.840 0.204 0.000 1.282 310 L CB 1.346 43.512 42.059 0.178 0.000 1.901 310 L HN 0.406 nan 8.230 nan 0.000 0.572 311 T N -1.465 113.196 114.554 0.178 0.000 2.989 311 T HA 0.363 4.717 4.350 0.006 0.000 0.250 311 T C 0.006 174.775 174.700 0.115 0.000 0.981 311 T CA 0.378 62.575 62.100 0.162 0.000 0.980 311 T CB 0.911 69.889 68.868 0.184 0.000 1.133 311 T HN 0.722 nan 8.240 nan 0.000 0.489 312 G N 0.368 109.214 108.800 0.076 0.000 2.576 312 G HA2 0.418 4.381 3.960 0.006 0.000 0.290 312 G HA3 0.418 4.381 3.960 0.006 0.000 0.290 312 G C 0.163 174.998 174.900 -0.108 0.000 1.442 312 G CA -0.178 44.921 45.100 -0.001 0.000 0.792 312 G HN 0.142 nan 8.290 nan 0.000 0.491 313 E N -0.115 119.894 120.200 -0.318 0.000 2.077 313 E HA -0.152 4.201 4.350 0.006 0.000 0.193 313 E C 0.971 177.363 176.600 -0.346 0.000 0.989 313 E CA 1.545 57.513 56.400 -0.720 0.000 0.800 313 E CB -0.070 28.847 29.700 -1.306 0.000 0.746 313 E HN 0.301 nan 8.360 nan 0.000 0.452 314 D N 1.321 121.603 120.400 -0.196 0.000 2.104 314 D HA -0.207 4.436 4.640 0.006 0.000 0.194 314 D C 1.909 178.183 176.300 -0.044 0.000 0.994 314 D CA 1.498 55.443 54.000 -0.091 0.000 0.830 314 D CB -0.373 40.393 40.800 -0.055 0.000 0.959 314 D HN 0.411 nan 8.370 nan 0.000 0.452 315 E N 0.268 120.451 120.200 -0.027 0.000 2.085 315 E HA -0.168 4.185 4.350 0.006 0.000 0.194 315 E C 2.286 178.905 176.600 0.031 0.000 0.994 315 E CA 0.763 57.170 56.400 0.012 0.000 0.801 315 E CB -0.112 29.617 29.700 0.048 0.000 0.743 315 E HN 0.249 nan 8.360 nan 0.000 0.453 316 I N 1.149 121.739 120.570 0.032 0.000 2.202 316 I HA -0.236 3.938 4.170 0.006 0.000 0.242 316 I C 2.386 178.554 176.117 0.084 0.000 1.091 316 I CA 0.989 62.339 61.300 0.083 0.000 1.368 316 I CB -0.275 37.823 38.000 0.164 0.000 1.058 316 I HN 0.109 nan 8.210 nan 0.000 0.410 317 E N 0.477 120.719 120.200 0.070 0.000 2.153 317 E HA -0.281 4.073 4.350 0.006 0.000 0.194 317 E C 1.603 178.225 176.600 0.036 0.000 0.988 317 E CA 1.503 57.946 56.400 0.071 0.000 0.811 317 E CB -0.382 29.361 29.700 0.071 0.000 0.746 317 E HN 0.511 nan 8.360 nan 0.000 0.466 318 D N 0.486 120.899 120.400 0.022 0.000 2.117 318 D HA -0.080 4.564 4.640 0.006 0.000 0.198 318 D C 1.847 178.152 176.300 0.009 0.000 0.982 318 D CA 1.528 55.535 54.000 0.011 0.000 0.828 318 D CB 0.013 40.815 40.800 0.003 0.000 0.967 318 D HN 0.121 nan 8.370 nan 0.000 0.464 319 A N -0.335 122.497 122.820 0.019 0.000 1.968 319 A HA -0.007 4.317 4.320 0.006 0.000 0.217 319 A C 2.428 180.012 177.584 -0.000 0.000 1.169 319 A CA 0.956 53.001 52.037 0.014 0.000 0.638 319 A CB -0.556 18.465 19.000 0.034 0.000 0.812 319 A HN 0.199 nan 8.150 nan 0.000 0.446 320 V N 1.436 121.354 119.914 0.007 0.000 2.295 320 V HA -0.317 3.806 4.120 0.006 0.000 0.246 320 V C 2.798 178.874 176.094 -0.031 0.000 1.049 320 V CA 2.428 64.719 62.300 -0.016 0.000 1.024 320 V CB -0.873 30.951 31.823 0.002 0.000 0.648 320 V HN 0.837 nan 8.190 nan 0.000 0.447 321 R N 0.601 121.092 120.500 -0.016 0.000 2.092 321 R HA -0.135 4.209 4.340 0.006 0.000 0.231 321 R C 2.189 178.474 176.300 -0.026 0.000 1.119 321 R CA 1.537 57.624 56.100 -0.022 0.000 0.970 321 R CB -0.502 29.791 30.300 -0.011 0.000 0.864 321 R HN 0.375 nan 8.270 nan 0.000 0.440 322 K N 0.744 121.132 120.400 -0.021 0.000 2.057 322 K HA -0.020 4.304 4.320 0.006 0.000 0.206 322 K C 2.129 178.709 176.600 -0.033 0.000 1.050 322 K CA 1.584 57.857 56.287 -0.023 0.000 0.935 322 K CB -0.141 32.348 32.500 -0.018 0.000 0.715 322 K HN 0.192 nan 8.250 nan 0.000 0.439 323 I N 0.411 120.958 120.570 -0.039 0.000 2.353 323 I HA -0.230 3.944 4.170 0.006 0.000 0.248 323 I C 2.435 178.511 176.117 -0.068 0.000 1.119 323 I CA 0.739 62.007 61.300 -0.054 0.000 1.417 323 I CB -0.094 37.869 38.000 -0.062 0.000 1.078 323 I HN 0.093 nan 8.210 nan 0.000 0.421 324 S N 0.784 116.441 115.700 -0.073 0.000 2.356 324 S HA -0.178 4.295 4.470 0.006 0.000 0.223 324 S C 1.946 176.509 174.600 -0.061 0.000 1.032 324 S CA 1.440 59.589 58.200 -0.084 0.000 1.005 324 S CB -0.292 62.856 63.200 -0.086 0.000 0.867 324 S HN 0.322 nan 8.310 nan 0.000 0.449 325 L N 1.932 123.127 121.223 -0.046 0.000 2.046 325 L HA -0.057 4.287 4.340 0.006 0.000 0.208 325 L C 2.012 178.864 176.870 -0.029 0.000 1.077 325 L CA 1.956 56.775 54.840 -0.034 0.000 0.747 325 L CB -0.684 41.359 42.059 -0.027 0.000 0.896 325 L HN 0.305 nan 8.230 nan 0.000 0.432 326 E N -0.764 119.418 120.200 -0.030 0.000 2.208 326 E HA -0.084 4.270 4.350 0.006 0.000 0.193 326 E C 2.066 178.656 176.600 -0.017 0.000 0.988 326 E CA 0.706 57.092 56.400 -0.023 0.000 0.828 326 E CB -0.370 29.315 29.700 -0.025 0.000 0.763 326 E HN 0.697 nan 8.360 nan 0.000 0.478 327 G N 1.879 110.663 108.800 -0.027 0.000 2.433 327 G HA2 -0.274 3.689 3.960 0.006 0.000 0.216 327 G HA3 -0.274 3.689 3.960 0.006 0.000 0.216 327 G C 1.150 176.050 174.900 -0.001 0.000 1.186 327 G CA 0.941 46.032 45.100 -0.016 0.000 0.779 327 G HN 0.107 nan 8.290 nan 0.000 0.543 328 D N 0.428 120.816 120.400 -0.019 0.000 2.133 328 D HA -0.102 4.542 4.640 0.006 0.000 0.195 328 D C 2.689 178.986 176.300 -0.005 0.000 0.997 328 D CA 0.965 54.957 54.000 -0.012 0.000 0.840 328 D CB -0.288 40.500 40.800 -0.022 0.000 0.947 328 D HN 0.420 nan 8.370 nan 0.000 0.452 329 Q N -0.239 119.557 119.800 -0.008 0.000 2.124 329 Q HA -0.063 4.281 4.340 0.006 0.000 0.202 329 Q C 2.434 178.432 176.000 -0.004 0.000 0.977 329 Q CA 0.648 56.447 55.803 -0.008 0.000 0.850 329 Q CB -0.044 28.687 28.738 -0.012 0.000 0.901 329 Q HN 0.333 nan 8.270 nan 0.000 0.429 330 L N -0.282 120.943 121.223 0.004 0.000 2.093 330 L HA -0.158 4.186 4.340 0.006 0.000 0.208 330 L C 2.273 179.145 176.870 0.004 0.000 1.085 330 L CA 0.563 55.405 54.840 0.004 0.000 0.755 330 L CB -0.362 41.711 42.059 0.023 0.000 0.904 330 L HN 0.116 nan 8.230 nan 0.000 0.435 331 V N 0.103 120.029 119.914 0.019 0.000 2.261 331 V HA -0.297 3.827 4.120 0.006 0.000 0.246 331 V C 2.585 178.682 176.094 0.005 0.000 1.047 331 V CA 1.894 64.206 62.300 0.019 0.000 1.015 331 V CB -0.581 31.258 31.823 0.027 0.000 0.642 331 V HN 0.439 nan 8.190 nan 0.000 0.446 332 R N -0.303 120.199 120.500 0.003 0.000 2.115 332 R HA -0.116 4.227 4.340 0.006 0.000 0.230 332 R C 2.207 178.504 176.300 -0.006 0.000 1.111 332 R CA 1.503 57.602 56.100 -0.001 0.000 0.976 332 R CB -0.188 30.110 30.300 -0.003 0.000 0.870 332 R HN 0.632 nan 8.270 nan 0.000 0.445 333 E N -0.053 120.142 120.200 -0.009 0.000 2.140 333 E HA -0.056 4.298 4.350 0.006 0.000 0.191 333 E C 1.296 177.886 176.600 -0.016 0.000 0.973 333 E CA 0.594 56.987 56.400 -0.012 0.000 0.829 333 E CB 0.386 30.078 29.700 -0.013 0.000 0.781 333 E HN 0.229 nan 8.360 nan 0.000 0.466 334 E N -0.710 119.477 120.200 -0.021 0.000 2.539 334 E HA 0.130 4.484 4.350 0.006 0.000 0.215 334 E C 0.798 177.378 176.600 -0.033 0.000 0.965 334 E CA 0.515 56.897 56.400 -0.030 0.000 1.019 334 E CB 1.440 31.115 29.700 -0.042 0.000 1.059 334 E HN 0.274 nan 8.360 nan 0.000 0.496 335 G N 2.013 110.799 108.800 -0.024 0.000 2.198 335 G HA2 -0.305 3.658 3.960 0.006 0.000 0.257 335 G HA3 -0.305 3.658 3.960 0.006 0.000 0.257 335 G C 0.515 175.392 174.900 -0.038 0.000 1.042 335 G CA 0.290 45.376 45.100 -0.022 0.000 0.791 335 G HN 0.294 nan 8.290 nan 0.000 0.502 336 C N 0.085 119.354 119.300 -0.051 0.000 2.705 336 C HA 0.608 5.071 4.460 0.006 0.000 0.382 336 C C 1.892 176.865 174.990 -0.029 0.000 1.322 336 C CA 0.359 59.314 59.018 -0.105 0.000 2.290 336 C CB 0.278 27.925 27.740 -0.155 0.000 2.650 336 C HN 0.948 nan 8.230 nan 0.000 0.695 337 G N 2.121 110.895 108.800 -0.043 0.000 2.667 337 G HA2 0.412 4.376 3.960 0.006 0.000 0.250 337 G HA3 0.412 4.376 3.960 0.006 0.000 0.250 337 G C -2.610 172.400 174.900 0.184 0.000 1.212 337 G CA -0.418 44.726 45.100 0.073 0.000 0.874 337 G HN 0.584 nan 8.290 nan 0.000 0.561 338 P HA 0.251 nan 4.420 nan 0.000 0.272 338 P C -0.684 176.608 177.300 -0.014 0.000 1.223 338 P CA -0.393 62.738 63.100 0.052 0.000 0.784 338 P CB 1.027 32.736 31.700 0.016 0.000 0.923 339 L N 1.929 123.078 121.223 -0.124 0.000 2.406 339 L HA 0.393 4.737 4.340 0.006 0.000 0.270 339 L C -0.326 176.414 176.870 -0.216 0.000 0.982 339 L CA -0.273 54.385 54.840 -0.303 0.000 0.843 339 L CB 1.039 42.787 42.059 -0.519 0.000 1.225 339 L HN 0.413 nan 8.230 nan 0.000 0.412 340 S N 3.640 119.226 115.700 -0.190 0.000 2.610 340 S HA 0.885 5.358 4.470 0.006 0.000 0.273 340 S C -0.413 173.974 174.600 -0.356 0.000 1.274 340 S CA -0.654 57.383 58.200 -0.272 0.000 1.023 340 S CB 1.770 64.853 63.200 -0.194 0.000 0.962 340 S HN 0.441 nan 8.310 nan 0.000 0.523 341 V N 2.439 122.008 119.914 -0.574 0.000 2.623 341 V HA 0.486 4.610 4.120 0.006 0.000 0.304 341 V C -1.693 174.061 176.094 -0.567 0.000 1.054 341 V CA -0.710 61.343 62.300 -0.411 0.000 0.882 341 V CB 0.876 32.555 31.823 -0.240 0.000 1.002 341 V HN 0.944 nan 8.190 nan 0.000 0.424 342 Y N 5.077 125.322 120.300 -0.091 0.000 2.442 342 Y HA 0.655 5.209 4.550 0.006 0.000 0.344 342 Y C -2.478 173.359 175.900 -0.105 0.000 0.976 342 Y CA -2.564 55.473 58.100 -0.104 0.000 1.040 342 Y CB 2.838 41.215 38.460 -0.139 0.000 1.228 342 Y HN 0.413 nan 8.280 nan 0.000 0.451 343 P HA 0.365 nan 4.420 nan 0.000 0.281 343 P C -1.333 175.879 177.300 -0.146 0.000 1.249 343 P CA -0.439 62.659 63.100 -0.004 0.000 0.810 343 P CB 2.224 33.940 31.700 0.027 0.000 1.008 344 L N 4.469 125.614 121.223 -0.130 0.000 2.482 344 L HA 0.546 4.890 4.340 0.006 0.000 0.269 344 L C -1.491 175.341 176.870 -0.064 0.000 0.967 344 L CA -0.646 54.066 54.840 -0.213 0.000 0.851 344 L CB 0.876 42.836 42.059 -0.164 0.000 1.242 344 L HN 0.459 nan 8.230 nan 0.000 0.404 345 Y N 1.618 121.910 120.300 -0.012 0.000 2.725 345 Y HA 0.655 5.209 4.550 0.007 0.000 0.333 345 Y C 0.873 176.779 175.900 0.010 0.000 1.242 345 Y CA -0.852 57.255 58.100 0.011 0.000 1.059 345 Y CB 0.552 39.026 38.460 0.024 0.000 1.306 345 Y HN 0.366 nan 8.280 nan 0.000 0.454 346 G N 0.342 109.312 108.800 0.283 0.000 2.503 346 G HA2 -0.248 3.716 3.960 0.006 0.000 0.221 346 G HA3 -0.248 3.716 3.960 0.006 0.000 0.221 346 G C 1.111 176.106 174.900 0.157 0.000 1.131 346 G CA 1.604 46.804 45.100 0.167 0.000 0.756 346 G HN 1.021 nan 8.290 nan 0.000 0.572 347 S N -0.634 115.234 115.700 0.280 0.000 2.556 347 S HA 0.369 4.843 4.470 0.006 0.000 0.216 347 S C 0.856 175.540 174.600 0.141 0.000 0.970 347 S CA -0.558 57.766 58.200 0.206 0.000 0.912 347 S CB 0.021 63.349 63.200 0.214 0.000 0.790 347 S HN 0.181 nan 8.310 nan 0.000 0.504 348 L N 2.802 124.024 121.223 -0.002 0.000 2.525 348 L HA 0.188 4.532 4.340 0.006 0.000 0.278 348 L C -2.241 174.571 176.870 -0.096 0.000 1.218 348 L CA -1.423 53.312 54.840 -0.175 0.000 0.878 348 L CB 0.209 42.016 42.059 -0.421 0.000 1.127 348 L HN 0.096 nan 8.230 nan 0.000 0.492 349 P HA 0.063 nan 4.420 nan 0.000 0.269 349 P C -2.066 175.147 177.300 -0.146 0.000 1.215 349 P CA -1.077 61.981 63.100 -0.070 0.000 0.780 349 P CB 0.126 31.779 31.700 -0.078 0.000 0.898 350 P HA -0.220 nan 4.420 nan 0.000 0.215 350 P C 1.452 178.756 177.300 0.006 0.000 1.157 350 P CA 1.692 64.794 63.100 0.002 0.000 0.868 350 P CB -0.636 31.125 31.700 0.102 0.000 0.788 351 H N -0.338 118.760 119.070 0.047 0.000 2.456 351 H HA -0.059 4.501 4.556 0.006 0.000 0.296 351 H C 1.488 176.832 175.328 0.026 0.000 1.079 351 H CA 1.187 57.262 56.048 0.045 0.000 1.322 351 H CB -0.870 28.925 29.762 0.055 0.000 1.388 351 H HN 0.257 nan 8.280 nan 0.000 0.538 352 Q N 0.625 120.146 119.800 -0.465 0.000 2.163 352 Q HA -0.054 4.290 4.340 0.006 0.000 0.198 352 Q C 2.445 178.330 176.000 -0.192 0.000 0.954 352 Q CA 0.586 56.216 55.803 -0.289 0.000 0.851 352 Q CB 0.130 28.656 28.738 -0.354 0.000 0.928 352 Q HN 0.608 nan 8.270 nan 0.000 0.459 353 Q N 0.695 120.382 119.800 -0.188 0.000 2.077 353 Q HA -0.267 4.076 4.340 0.006 0.000 0.206 353 Q C 2.040 177.976 176.000 -0.106 0.000 0.989 353 Q CA 1.458 57.168 55.803 -0.155 0.000 0.853 353 Q CB -0.129 28.553 28.738 -0.093 0.000 0.907 353 Q HN 0.185 nan 8.270 nan 0.000 0.418 354 Q N 0.501 120.305 119.800 0.006 0.000 2.291 354 Q HA -0.096 4.248 4.340 0.006 0.000 0.206 354 Q C 1.617 177.635 176.000 0.031 0.000 0.976 354 Q CA 1.211 57.099 55.803 0.142 0.000 0.875 354 Q CB 0.069 28.876 28.738 0.116 0.000 0.927 354 Q HN 0.225 nan 8.270 nan 0.000 0.450 355 R N -0.036 120.391 120.500 -0.122 0.000 2.148 355 R HA -0.069 4.275 4.340 0.006 0.000 0.227 355 R C 2.170 178.033 176.300 -0.729 0.000 1.103 355 R CA 1.336 57.277 56.100 -0.265 0.000 0.983 355 R CB -0.617 29.634 30.300 -0.082 0.000 0.874 355 R HN 0.526 nan 8.270 nan 0.000 0.451 356 I N -2.427 117.719 120.570 -0.707 0.000 2.756 356 I HA -0.136 4.037 4.170 0.006 0.000 0.262 356 I C 0.817 176.441 176.117 -0.821 0.000 1.225 356 I CA 1.361 62.125 61.300 -0.893 0.000 1.472 356 I CB -0.278 37.237 38.000 -0.807 0.000 1.094 356 I HN -0.110 nan 8.210 nan 0.000 0.454 357 F N 1.819 121.579 119.950 -0.316 0.000 2.765 357 F HA 0.308 4.839 4.527 0.007 0.000 0.302 357 F C 1.073 176.762 175.800 -0.186 0.000 1.111 357 F CA -0.431 57.447 58.000 -0.204 0.000 1.359 357 F CB -0.430 38.486 39.000 -0.140 0.000 1.097 357 F HN 0.054 nan 8.300 nan 0.000 0.577 358 E N 2.180 122.287 120.200 -0.156 0.000 2.392 358 E HA 0.081 4.434 4.350 0.006 0.000 0.264 358 E C -2.142 174.441 176.600 -0.028 0.000 1.024 358 E CA -1.884 54.469 56.400 -0.079 0.000 0.903 358 E CB 0.093 29.738 29.700 -0.092 0.000 0.963 358 E HN -0.068 nan 8.360 nan 0.000 0.432 359 P HA -0.041 nan 4.420 nan 0.000 0.266 359 P C -0.894 176.435 177.300 0.048 0.000 1.195 359 P CA 0.053 63.169 63.100 0.027 0.000 0.768 359 P CB 0.523 32.238 31.700 0.025 0.000 0.838 360 A N 5.287 128.133 122.820 0.044 0.000 2.520 360 A HA 0.259 4.583 4.320 0.006 0.000 0.235 360 A C -1.734 175.870 177.584 0.033 0.000 1.065 360 A CA -0.713 51.354 52.037 0.050 0.000 0.764 360 A CB -1.321 17.701 19.000 0.037 0.000 1.002 360 A HN 0.462 nan 8.150 nan 0.000 0.502 361 P HA 0.196 nan 4.420 nan 0.000 0.271 361 P C -0.761 176.518 177.300 -0.034 0.000 1.216 361 P CA -0.011 63.093 63.100 0.007 0.000 0.776 361 P CB 0.500 32.202 31.700 0.003 0.000 0.881 362 E N 0.611 120.766 120.200 -0.076 0.000 2.338 362 E HA 0.256 4.610 4.350 0.006 0.000 0.272 362 E C 0.350 176.755 176.600 -0.325 0.000 1.029 362 E CA -0.266 56.028 56.400 -0.176 0.000 0.872 362 E CB 0.283 29.861 29.700 -0.204 0.000 1.015 362 E HN 0.251 nan 8.360 nan 0.000 0.417 363 S N 1.848 117.390 115.700 -0.264 0.000 2.537 363 S HA 0.166 4.640 4.470 0.006 0.000 0.275 363 S C -0.585 173.785 174.600 -0.383 0.000 1.272 363 S CA -0.622 57.429 58.200 -0.247 0.000 1.050 363 S CB 0.221 63.367 63.200 -0.089 0.000 0.961 363 S HN 0.561 nan 8.310 nan 0.000 0.496 364 H N 3.724 122.801 119.070 0.011 0.000 2.507 364 H HA 0.412 4.972 4.556 0.006 0.000 0.271 364 H C 0.537 175.867 175.328 0.003 0.000 1.224 364 H CA -0.432 55.620 56.048 0.007 0.000 1.000 364 H CB 0.213 29.978 29.762 0.005 0.000 1.663 364 H HN 0.444 nan 8.280 nan 0.000 0.548 365 N N -0.433 118.297 118.700 0.049 0.000 2.200 365 N HA 0.053 4.796 4.740 0.006 0.000 0.233 365 N C 1.569 177.084 175.510 0.009 0.000 1.236 365 N CA 1.023 54.092 53.050 0.031 0.000 0.845 365 N CB 1.204 39.702 38.487 0.017 0.000 1.257 365 N HN 0.517 nan 8.380 nan 0.000 0.472 366 G N 0.839 109.638 108.800 -0.002 0.000 2.241 366 G HA2 -0.226 3.737 3.960 0.006 0.000 0.244 366 G HA3 -0.226 3.737 3.960 0.006 0.000 0.244 366 G C 0.139 175.027 174.900 -0.020 0.000 0.998 366 G CA -0.015 45.080 45.100 -0.009 0.000 0.621 366 G HN 0.271 nan 8.290 nan 0.000 0.519 367 R N 0.950 121.433 120.500 -0.028 0.000 2.532 367 R HA 0.476 4.820 4.340 0.006 0.000 0.295 367 R C -2.725 173.555 176.300 -0.034 0.000 0.968 367 R CA -1.884 54.188 56.100 -0.046 0.000 0.916 367 R CB 1.400 31.655 30.300 -0.076 0.000 1.124 367 R HN 0.056 nan 8.270 nan 0.000 0.463 368 P HA -0.005 nan 4.420 nan 0.000 0.267 368 P C 0.026 177.370 177.300 0.073 0.000 1.205 368 P CA 0.107 63.215 63.100 0.014 0.000 0.765 368 P CB 0.559 32.276 31.700 0.030 0.000 0.828 369 G N 3.015 111.846 108.800 0.052 0.000 2.606 369 G HA2 0.468 4.432 3.960 0.006 0.000 0.252 369 G HA3 0.468 4.432 3.960 0.006 0.000 0.252 369 G C -0.588 174.361 174.900 0.082 0.000 1.206 369 G CA -0.257 44.885 45.100 0.071 0.000 0.861 369 G HN 0.591 nan 8.290 nan 0.000 0.561 370 R N -0.311 120.210 120.500 0.034 0.000 2.664 370 R HA 0.380 4.723 4.340 0.006 0.000 0.260 370 R C -1.410 174.857 176.300 -0.055 0.000 1.062 370 R CA -0.804 55.301 56.100 0.008 0.000 0.902 370 R CB 1.565 31.896 30.300 0.051 0.000 1.258 370 R HN 0.578 nan 8.270 nan 0.000 0.465 371 K N 2.673 123.073 120.400 -0.000 0.000 2.207 371 K HA 0.540 4.864 4.320 0.006 0.000 0.255 371 K C -1.399 175.203 176.600 0.003 0.000 0.941 371 K CA -0.658 55.648 56.287 0.031 0.000 0.825 371 K CB 1.928 34.495 32.500 0.111 0.000 1.119 371 K HN 0.294 nan 8.250 nan 0.000 0.430 372 V N 3.815 123.722 119.914 -0.011 0.000 2.448 372 V HA 0.352 4.476 4.120 0.006 0.000 0.295 372 V C -0.637 175.473 176.094 0.026 0.000 1.025 372 V CA -1.032 61.254 62.300 -0.024 0.000 0.859 372 V CB 1.509 33.284 31.823 -0.079 0.000 0.988 372 V HN 0.514 nan 8.190 nan 0.000 0.431 373 V N 6.164 126.071 119.914 -0.012 0.000 2.370 373 V HA 0.483 4.606 4.120 0.006 0.000 0.283 373 V C -0.089 175.949 176.094 -0.093 0.000 1.023 373 V CA -0.340 61.937 62.300 -0.038 0.000 0.857 373 V CB 1.679 33.428 31.823 -0.123 0.000 0.985 373 V HN 0.708 nan 8.190 nan 0.000 0.443 374 I N 4.295 124.830 120.570 -0.058 0.000 2.330 374 I HA 0.454 4.628 4.170 0.006 0.000 0.286 374 I C 0.167 176.260 176.117 -0.041 0.000 1.025 374 I CA 0.240 61.510 61.300 -0.049 0.000 1.197 374 I CB 1.384 39.386 38.000 0.004 0.000 1.358 374 I HN 0.610 nan 8.210 nan 0.000 0.467 375 S N 4.013 119.647 115.700 -0.110 0.000 2.568 375 S HA 0.502 4.976 4.470 0.006 0.000 0.293 375 S C -0.219 174.407 174.600 0.043 0.000 1.089 375 S CA -0.327 57.825 58.200 -0.081 0.000 0.945 375 S CB 2.124 65.188 63.200 -0.226 0.000 1.077 375 S HN 0.612 nan 8.310 nan 0.000 0.485 376 T N 1.508 116.144 114.554 0.137 0.000 2.729 376 T HA 0.170 4.524 4.350 0.006 0.000 0.298 376 T C 1.380 176.269 174.700 0.315 0.000 1.013 376 T CA 0.030 62.261 62.100 0.219 0.000 0.957 376 T CB -0.120 68.863 68.868 0.192 0.000 1.130 376 T HN 0.807 nan 8.240 nan 0.000 0.526 377 N N 1.043 119.926 118.700 0.305 0.000 2.626 377 N HA -0.013 4.731 4.740 0.006 0.000 0.193 377 N C 1.599 177.254 175.510 0.242 0.000 1.213 377 N CA 0.595 53.829 53.050 0.307 0.000 0.914 377 N CB -0.894 37.678 38.487 0.142 0.000 0.994 377 N HN 0.635 nan 8.380 nan 0.000 0.447 378 I N 0.173 120.859 120.570 0.194 0.000 2.248 378 I HA -0.270 3.904 4.170 0.006 0.000 0.248 378 I C 1.962 178.175 176.117 0.160 0.000 1.107 378 I CA 1.515 62.896 61.300 0.136 0.000 1.373 378 I CB -0.311 37.740 38.000 0.084 0.000 1.055 378 I HN 0.300 nan 8.210 nan 0.000 0.418 379 A N -0.469 122.483 122.820 0.220 0.000 2.259 379 A HA -0.072 4.252 4.320 0.006 0.000 0.208 379 A C 2.076 179.905 177.584 0.409 0.000 1.201 379 A CA 0.438 52.603 52.037 0.213 0.000 0.824 379 A CB -0.460 18.532 19.000 -0.013 0.000 0.838 379 A HN 0.458 nan 8.150 nan 0.000 0.485 380 E N -0.200 120.231 120.200 0.386 0.000 2.016 380 E HA -0.131 4.223 4.350 0.006 0.000 0.190 380 E C 1.745 178.438 176.600 0.155 0.000 0.985 380 E CA 1.792 58.319 56.400 0.211 0.000 0.802 380 E CB 0.161 29.891 29.700 0.050 0.000 0.762 380 E HN 0.618 nan 8.360 nan 0.000 0.448 381 T N -3.674 110.976 114.554 0.160 0.000 3.041 381 T HA 0.217 4.570 4.350 0.006 0.000 0.276 381 T C 1.502 176.292 174.700 0.150 0.000 0.948 381 T CA 0.056 62.249 62.100 0.155 0.000 0.885 381 T CB 0.351 69.361 68.868 0.237 0.000 1.175 381 T HN -0.071 nan 8.240 nan 0.000 0.529 382 S N 1.659 117.439 115.700 0.132 0.000 2.436 382 S HA 0.398 4.872 4.470 0.006 0.000 0.228 382 S C 0.394 175.038 174.600 0.073 0.000 1.014 382 S CA 0.473 58.730 58.200 0.095 0.000 0.950 382 S CB -0.436 62.809 63.200 0.076 0.000 0.784 382 S HN 0.760 nan 8.310 nan 0.000 0.504 383 L N -2.263 119.011 121.223 0.084 0.000 2.720 383 L HA 0.798 5.142 4.340 0.006 0.000 0.261 383 L C -0.790 176.139 176.870 0.098 0.000 1.046 383 L CA -0.832 54.059 54.840 0.084 0.000 0.886 383 L CB 1.520 43.642 42.059 0.106 0.000 1.493 383 L HN -0.106 nan 8.230 nan 0.000 0.407 384 T N -0.885 113.740 114.554 0.119 0.000 2.893 384 T HA 0.808 5.162 4.350 0.006 0.000 0.293 384 T C -0.900 173.909 174.700 0.183 0.000 1.027 384 T CA -0.399 61.769 62.100 0.114 0.000 0.988 384 T CB 1.111 70.027 68.868 0.080 0.000 1.043 384 T HN 0.667 nan 8.240 nan 0.000 0.461 385 I N 3.794 124.427 120.570 0.104 0.000 2.306 385 I HA 0.281 4.454 4.170 0.006 0.000 0.288 385 I C -0.013 176.148 176.117 0.073 0.000 1.036 385 I CA -0.820 60.535 61.300 0.091 0.000 1.221 385 I CB 0.967 38.914 38.000 -0.088 0.000 1.385 385 I HN 0.615 nan 8.210 nan 0.000 0.472 386 D N 5.497 125.958 120.400 0.102 0.000 2.493 386 D HA 0.169 4.813 4.640 0.006 0.000 0.240 386 D C 1.151 177.469 176.300 0.030 0.000 1.142 386 D CA 1.340 55.372 54.000 0.055 0.000 0.872 386 D CB 1.240 42.068 40.800 0.047 0.000 1.173 386 D HN 0.934 nan 8.370 nan 0.000 0.467 387 G N 1.932 110.738 108.800 0.011 0.000 2.201 387 G HA2 -0.222 3.742 3.960 0.006 0.000 0.212 387 G HA3 -0.222 3.742 3.960 0.006 0.000 0.212 387 G C 0.402 175.293 174.900 -0.015 0.000 0.994 387 G CA -0.525 44.572 45.100 -0.004 0.000 0.644 387 G HN 0.464 nan 8.290 nan 0.000 0.508 388 I N 1.419 121.982 120.570 -0.012 0.000 2.683 388 I HA 0.235 4.409 4.170 0.006 0.000 0.286 388 I C 1.564 177.634 176.117 -0.078 0.000 1.175 388 I CA 0.492 61.781 61.300 -0.018 0.000 1.429 388 I CB 1.206 39.206 38.000 -0.001 0.000 1.371 388 I HN -0.022 nan 8.210 nan 0.000 0.569 389 V N 6.683 126.497 119.914 -0.167 0.000 3.426 389 V HA 0.120 4.244 4.120 0.006 0.000 0.271 389 V C -0.641 175.114 176.094 -0.565 0.000 1.530 389 V CA 0.096 62.135 62.300 -0.435 0.000 1.021 389 V CB 0.071 31.484 31.823 -0.683 0.000 0.824 389 V HN 0.556 nan 8.190 nan 0.000 0.432 390 Y N -0.473 119.871 120.300 0.073 0.000 2.361 390 Y HA 0.722 5.275 4.550 0.006 0.000 0.337 390 Y C -0.343 175.631 175.900 0.124 0.000 0.965 390 Y CA -1.004 57.173 58.100 0.129 0.000 1.091 390 Y CB 1.850 40.392 38.460 0.137 0.000 1.182 390 Y HN -0.209 nan 8.280 nan 0.000 0.450 391 V N 4.208 124.304 119.914 0.303 0.000 2.513 391 V HA 0.550 4.673 4.120 0.006 0.000 0.299 391 V C -0.623 175.657 176.094 0.310 0.000 1.035 391 V CA -0.943 61.516 62.300 0.264 0.000 0.889 391 V CB 2.017 33.995 31.823 0.258 0.000 0.988 391 V HN 0.536 nan 8.190 nan 0.000 0.440 392 V N 3.288 123.353 119.914 0.251 0.000 2.357 392 V HA 0.433 4.557 4.120 0.006 0.000 0.284 392 V C -0.708 175.539 176.094 0.255 0.000 1.018 392 V CA -0.416 62.015 62.300 0.218 0.000 0.841 392 V CB 1.719 33.605 31.823 0.105 0.000 0.991 392 V HN 0.928 nan 8.190 nan 0.000 0.437 393 D N 6.650 127.172 120.400 0.203 0.000 2.464 393 D HA 0.445 5.088 4.640 0.006 0.000 0.243 393 D C -1.937 174.483 176.300 0.199 0.000 1.104 393 D CA -2.072 52.050 54.000 0.204 0.000 0.883 393 D CB 2.458 43.337 40.800 0.133 0.000 1.050 393 D HN 0.168 nan 8.370 nan 0.000 0.524 394 P HA 0.124 nan 4.420 nan 0.000 0.223 394 P C 0.711 178.105 177.300 0.157 0.000 1.151 394 P CA 1.012 64.188 63.100 0.127 0.000 0.787 394 P CB 0.355 31.960 31.700 -0.158 0.000 0.788 395 G N -3.193 105.648 108.800 0.068 0.000 2.131 395 G HA2 -0.213 3.751 3.960 0.006 0.000 0.223 395 G HA3 -0.213 3.751 3.960 0.006 0.000 0.223 395 G C -0.158 174.380 174.900 -0.604 0.000 0.990 395 G CA -0.586 44.361 45.100 -0.255 0.000 0.671 395 G HN 0.231 nan 8.290 nan 0.000 0.521 396 F N 0.775 120.643 119.950 -0.137 0.000 2.577 396 F HA 0.797 5.327 4.527 0.006 0.000 0.318 396 F C 0.538 176.317 175.800 -0.033 0.000 1.065 396 F CA -0.153 57.787 58.000 -0.099 0.000 0.929 396 F CB 2.530 41.434 39.000 -0.161 0.000 1.237 396 F HN 0.466 nan 8.300 nan 0.000 0.468 397 S N 0.580 116.406 115.700 0.210 0.000 2.596 397 S HA 0.487 4.961 4.470 0.006 0.000 0.270 397 S C -1.471 173.224 174.600 0.158 0.000 1.155 397 S CA -1.235 57.059 58.200 0.157 0.000 0.827 397 S CB 1.929 65.186 63.200 0.095 0.000 1.130 397 S HN 0.611 nan 8.310 nan 0.000 0.467 398 K N 1.093 121.572 120.400 0.133 0.000 2.316 398 K HA 0.302 4.625 4.320 0.006 0.000 0.289 398 K C -0.778 175.882 176.600 0.101 0.000 1.070 398 K CA -0.028 56.329 56.287 0.116 0.000 0.928 398 K CB 0.378 32.938 32.500 0.099 0.000 1.039 398 K HN 0.636 nan 8.250 nan 0.000 0.480 399 Q N 2.979 122.840 119.800 0.101 0.000 2.353 399 Q HA 0.228 4.572 4.340 0.006 0.000 0.268 399 Q C -1.082 174.972 176.000 0.088 0.000 1.045 399 Q CA -0.872 54.985 55.803 0.090 0.000 0.811 399 Q CB 2.563 31.356 28.738 0.090 0.000 1.305 399 Q HN 0.360 nan 8.270 nan 0.000 0.447 400 K N 1.790 122.239 120.400 0.081 0.000 2.368 400 K HA 0.314 4.637 4.320 0.006 0.000 0.282 400 K C -1.159 175.495 176.600 0.091 0.000 1.035 400 K CA -0.054 56.282 56.287 0.082 0.000 0.973 400 K CB 0.599 33.139 32.500 0.067 0.000 0.957 400 K HN 0.366 nan 8.250 nan 0.000 0.474 401 V N 5.087 125.062 119.914 0.102 0.000 2.656 401 V HA 0.293 4.417 4.120 0.006 0.000 0.307 401 V C -1.349 174.833 176.094 0.147 0.000 1.051 401 V CA -0.884 61.478 62.300 0.102 0.000 0.893 401 V CB 1.564 33.434 31.823 0.078 0.000 0.999 401 V HN 0.719 nan 8.190 nan 0.000 0.426 402 Y N 3.753 124.040 120.300 -0.022 0.000 2.468 402 Y HA 0.526 5.080 4.550 0.006 0.000 0.342 402 Y C -0.122 175.748 175.900 -0.050 0.000 1.021 402 Y CA -1.113 56.965 58.100 -0.038 0.000 1.079 402 Y CB 1.955 40.383 38.460 -0.053 0.000 1.226 402 Y HN 0.691 nan 8.280 nan 0.000 0.460 403 N N 6.561 124.783 118.700 -0.797 0.000 2.524 403 N HA 0.322 5.066 4.740 0.006 0.000 0.261 403 N C -2.366 172.633 175.510 -0.850 0.000 0.998 403 N CA -2.042 50.643 53.050 -0.608 0.000 0.915 403 N CB 1.740 40.017 38.487 -0.350 0.000 1.187 403 N HN 0.358 nan 8.380 nan 0.000 0.507 404 P HA -0.099 nan 4.420 nan 0.000 0.218 404 P C 0.639 177.811 177.300 -0.215 0.000 1.149 404 P CA 1.079 63.986 63.100 -0.320 0.000 0.817 404 P CB 0.278 31.917 31.700 -0.102 0.000 0.785 405 R N -0.483 119.898 120.500 -0.198 0.000 2.193 405 R HA 0.130 4.474 4.340 0.006 0.000 0.213 405 R C 2.172 178.384 176.300 -0.147 0.000 1.055 405 R CA 0.999 57.018 56.100 -0.134 0.000 0.995 405 R CB -0.684 29.552 30.300 -0.106 0.000 0.893 405 R HN 0.314 nan 8.270 nan 0.000 0.459 406 I N -0.615 119.826 120.570 -0.216 0.000 4.181 406 I HA 0.158 4.332 4.170 0.006 0.000 0.331 406 I C 0.211 176.160 176.117 -0.280 0.000 1.312 406 I CA -0.290 60.870 61.300 -0.232 0.000 1.146 406 I CB 0.520 38.369 38.000 -0.251 0.000 1.074 406 I HN 0.026 nan 8.210 nan 0.000 0.402 407 R N 1.058 121.366 120.500 -0.320 0.000 3.144 407 R HA -0.126 4.217 4.340 0.006 0.000 0.255 407 R C -1.897 174.293 176.300 -0.183 0.000 0.949 407 R CA 0.638 56.602 56.100 -0.226 0.000 0.649 407 R CB -1.331 28.933 30.300 -0.060 0.000 1.229 407 R HN 0.320 nan 8.270 nan 0.000 0.440 408 V N 1.581 121.300 119.914 -0.326 0.000 2.924 408 V HA 0.311 4.435 4.120 0.006 0.000 0.300 408 V C -0.444 175.674 176.094 0.039 0.000 1.227 408 V CA -0.781 61.460 62.300 -0.099 0.000 0.954 408 V CB 2.126 33.772 31.823 -0.295 0.000 1.055 408 V HN 0.459 nan 8.190 nan 0.000 0.429 409 E N 2.347 122.684 120.200 0.228 0.000 2.345 409 E HA 0.729 5.083 4.350 0.006 0.000 0.259 409 E C -0.636 176.052 176.600 0.146 0.000 1.117 409 E CA -0.142 56.395 56.400 0.228 0.000 0.913 409 E CB 1.689 31.501 29.700 0.187 0.000 1.057 409 E HN 0.841 nan 8.360 nan 0.000 0.432 410 S N 0.563 116.342 115.700 0.132 0.000 2.542 410 S HA 0.310 4.783 4.470 0.006 0.000 0.276 410 S C -1.054 173.610 174.600 0.107 0.000 1.148 410 S CA -0.940 57.334 58.200 0.125 0.000 0.886 410 S CB 0.448 63.727 63.200 0.131 0.000 1.109 410 S HN 0.339 nan 8.310 nan 0.000 0.458 411 L N 2.852 124.134 121.223 0.098 0.000 2.278 411 L HA 0.506 4.849 4.340 0.006 0.000 0.287 411 L C -1.099 175.826 176.870 0.090 0.000 1.072 411 L CA -0.721 54.173 54.840 0.089 0.000 0.819 411 L CB 0.796 42.902 42.059 0.078 0.000 1.176 411 L HN 0.522 nan 8.230 nan 0.000 0.435 412 L N 3.970 125.251 121.223 0.097 0.000 2.354 412 L HA 0.463 4.806 4.340 0.006 0.000 0.269 412 L C -0.050 176.891 176.870 0.118 0.000 1.005 412 L CA -0.596 54.306 54.840 0.103 0.000 0.819 412 L CB 2.255 44.377 42.059 0.105 0.000 1.311 412 L HN 0.116 nan 8.230 nan 0.000 0.423 413 V N 2.533 122.522 119.914 0.124 0.000 2.439 413 V HA 0.488 4.612 4.120 0.006 0.000 0.271 413 V C 0.129 176.367 176.094 0.240 0.000 1.040 413 V CA 0.106 62.505 62.300 0.165 0.000 1.002 413 V CB 0.612 32.509 31.823 0.124 0.000 1.000 413 V HN 0.883 nan 8.190 nan 0.000 0.477 414 S N 6.195 122.075 115.700 0.300 0.000 2.595 414 S HA 0.591 5.065 4.470 0.006 0.000 0.281 414 S C -2.871 171.881 174.600 0.252 0.000 1.117 414 S CA -1.284 57.095 58.200 0.299 0.000 0.873 414 S CB 2.272 65.569 63.200 0.161 0.000 1.108 414 S HN 0.450 nan 8.310 nan 0.000 0.477 415 P HA 0.148 nan 4.420 nan 0.000 0.266 415 P C -0.185 176.997 177.300 -0.197 0.000 1.195 415 P CA -0.179 62.720 63.100 -0.335 0.000 0.768 415 P CB 0.019 31.561 31.700 -0.263 0.000 0.838 416 I N -0.489 119.923 120.570 -0.262 0.000 3.021 416 I HA 0.379 4.553 4.170 0.006 0.000 0.303 416 I C 0.498 176.534 176.117 -0.134 0.000 1.044 416 I CA -0.671 60.542 61.300 -0.146 0.000 1.266 416 I CB 0.821 38.738 38.000 -0.139 0.000 1.447 416 I HN 0.278 nan 8.210 nan 0.000 0.593 417 S N 2.072 117.722 115.700 -0.084 0.000 2.614 417 S HA 0.168 4.642 4.470 0.006 0.000 0.265 417 S C 0.825 175.383 174.600 -0.070 0.000 1.303 417 S CA -0.478 57.672 58.200 -0.082 0.000 1.000 417 S CB 1.494 64.657 63.200 -0.062 0.000 0.935 417 S HN 0.859 nan 8.310 nan 0.000 0.551 418 K N 0.758 121.099 120.400 -0.099 0.000 2.057 418 K HA -0.097 4.226 4.320 0.006 0.000 0.207 418 K C 2.304 178.917 176.600 0.022 0.000 1.049 418 K CA 1.252 57.483 56.287 -0.093 0.000 0.931 418 K CB -0.882 31.451 32.500 -0.278 0.000 0.714 418 K HN 0.777 nan 8.250 nan 0.000 0.440 419 A N 0.498 123.307 122.820 -0.017 0.000 1.908 419 A HA -0.178 4.146 4.320 0.006 0.000 0.218 419 A C 2.191 179.784 177.584 0.015 0.000 1.181 419 A CA 2.187 54.227 52.037 0.005 0.000 0.627 419 A CB -0.722 18.270 19.000 -0.013 0.000 0.818 419 A HN 0.342 nan 8.150 nan 0.000 0.445 420 S N -0.492 115.205 115.700 -0.004 0.000 2.368 420 S HA -0.031 4.443 4.470 0.006 0.000 0.225 420 S C 2.321 176.897 174.600 -0.040 0.000 1.030 420 S CA 1.170 59.350 58.200 -0.034 0.000 0.999 420 S CB -0.461 62.705 63.200 -0.057 0.000 0.844 420 S HN 0.814 nan 8.310 nan 0.000 0.459 421 A N 1.162 124.006 122.820 0.040 0.000 1.908 421 A HA -0.208 4.116 4.320 0.006 0.000 0.218 421 A C 2.076 179.721 177.584 0.102 0.000 1.181 421 A CA 1.607 53.716 52.037 0.120 0.000 0.627 421 A CB -0.649 18.575 19.000 0.374 0.000 0.818 421 A HN 0.554 nan 8.150 nan 0.000 0.445 422 Q N -0.982 118.907 119.800 0.149 0.000 2.050 422 Q HA -0.196 4.147 4.340 0.006 0.000 0.202 422 Q C 2.395 178.411 176.000 0.027 0.000 0.980 422 Q CA 1.525 57.390 55.803 0.103 0.000 0.840 422 Q CB -0.177 28.635 28.738 0.123 0.000 0.898 422 Q HN 0.616 nan 8.270 nan 0.000 0.424 423 Q N 0.441 120.242 119.800 0.002 0.000 2.084 423 Q HA -0.139 4.205 4.340 0.006 0.000 0.202 423 Q C 2.040 178.027 176.000 -0.021 0.000 0.978 423 Q CA 1.346 57.141 55.803 -0.015 0.000 0.844 423 Q CB -0.216 28.508 28.738 -0.023 0.000 0.898 423 Q HN 0.363 nan 8.270 nan 0.000 0.426 424 R N 0.313 120.749 120.500 -0.107 0.000 2.083 424 R HA -0.117 4.226 4.340 0.006 0.000 0.237 424 R C 2.295 178.623 176.300 0.046 0.000 1.137 424 R CA 1.381 57.392 56.100 -0.150 0.000 0.951 424 R CB -0.469 29.567 30.300 -0.439 0.000 0.851 424 R HN 0.237 nan 8.270 nan 0.000 0.434 425 A N 0.716 123.539 122.820 0.004 0.000 1.933 425 A HA -0.085 4.239 4.320 0.006 0.000 0.218 425 A C 2.406 180.006 177.584 0.027 0.000 1.175 425 A CA 1.712 53.752 52.037 0.003 0.000 0.628 425 A CB -1.126 17.837 19.000 -0.061 0.000 0.814 425 A HN 0.489 nan 8.150 nan 0.000 0.444 426 G N -0.396 108.421 108.800 0.028 0.000 2.450 426 G HA2 -0.247 3.717 3.960 0.006 0.000 0.220 426 G HA3 -0.247 3.717 3.960 0.006 0.000 0.220 426 G C 1.531 176.466 174.900 0.058 0.000 1.130 426 G CA 0.776 45.896 45.100 0.034 0.000 0.760 426 G HN 0.414 nan 8.290 nan 0.000 0.557 427 R N 0.881 121.436 120.500 0.092 0.000 2.200 427 R HA 0.009 4.353 4.340 0.006 0.000 0.234 427 R C 2.611 178.958 176.300 0.078 0.000 1.127 427 R CA 1.008 57.173 56.100 0.109 0.000 0.989 427 R CB -1.046 29.366 30.300 0.187 0.000 0.869 427 R HN 0.385 nan 8.270 nan 0.000 0.459 428 A N 0.170 123.029 122.820 0.065 0.000 2.167 428 A HA 0.094 4.418 4.320 0.006 0.000 0.214 428 A C 1.763 179.347 177.584 -0.001 0.000 1.151 428 A CA 1.189 53.237 52.037 0.019 0.000 0.735 428 A CB -0.109 18.902 19.000 0.018 0.000 0.802 428 A HN 0.345 nan 8.150 nan 0.000 0.467 429 G N -1.540 107.287 108.800 0.045 0.000 3.690 429 G HA2 0.183 4.147 3.960 0.006 0.000 0.283 429 G HA3 0.183 4.147 3.960 0.006 0.000 0.283 429 G C 1.098 176.107 174.900 0.182 0.000 1.057 429 G CA -0.065 45.096 45.100 0.101 0.000 0.821 429 G HN 0.344 nan 8.290 nan 0.000 0.526 430 R N 0.251 120.823 120.500 0.119 0.000 2.090 430 R HA -0.057 4.287 4.340 0.006 0.000 0.228 430 R C 2.569 178.992 176.300 0.205 0.000 1.110 430 R CA 1.942 58.123 56.100 0.136 0.000 0.973 430 R CB 0.011 30.358 30.300 0.080 0.000 0.869 430 R HN 0.440 nan 8.270 nan 0.000 0.440 431 T N -2.201 112.419 114.554 0.111 0.000 3.042 431 T HA 0.100 4.454 4.350 0.006 0.000 0.245 431 T C 0.878 175.430 174.700 -0.245 0.000 1.029 431 T CA -0.287 61.832 62.100 0.033 0.000 1.120 431 T CB 0.292 69.143 68.868 -0.028 0.000 0.917 431 T HN 0.318 nan 8.240 nan 0.000 0.467 432 R N 0.040 120.293 120.500 -0.411 0.000 2.741 432 R HA 0.533 4.877 4.340 0.006 0.000 0.274 432 R C -3.444 172.589 176.300 -0.444 0.000 1.029 432 R CA -1.843 53.760 56.100 -0.829 0.000 0.880 432 R CB -0.139 29.877 30.300 -0.473 0.000 1.264 432 R HN -0.157 nan 8.270 nan 0.000 0.465 433 P HA 0.094 nan 4.420 nan 0.000 0.261 433 P C -0.607 176.624 177.300 -0.115 0.000 1.183 433 P CA 0.561 63.603 63.100 -0.098 0.000 0.761 433 P CB 0.747 32.407 31.700 -0.066 0.000 0.785 434 G N 2.618 111.374 108.800 -0.073 0.000 3.108 434 G HA2 0.698 4.662 3.960 0.006 0.000 0.268 434 G HA3 0.698 4.662 3.960 0.006 0.000 0.268 434 G C -1.251 173.623 174.900 -0.043 0.000 1.361 434 G CA -0.757 44.267 45.100 -0.127 0.000 1.047 434 G HN 0.310 nan 8.290 nan 0.000 0.540 435 K N -1.376 119.017 120.400 -0.011 0.000 2.464 435 K HA 0.529 4.852 4.320 0.006 0.000 0.253 435 K C -1.835 174.768 176.600 0.004 0.000 0.933 435 K CA -0.546 55.764 56.287 0.040 0.000 0.801 435 K CB 2.444 35.044 32.500 0.167 0.000 1.271 435 K HN 0.467 nan 8.250 nan 0.000 0.430 436 C N 3.389 122.596 119.300 -0.154 0.000 2.396 436 C HA 0.604 5.068 4.460 0.006 0.000 0.321 436 C C -1.307 173.495 174.990 -0.312 0.000 1.233 436 C CA -0.740 58.209 59.018 -0.114 0.000 1.440 436 C CB -0.541 27.141 27.740 -0.097 0.000 2.110 436 C HN 0.782 nan 8.230 nan 0.000 0.473 437 F N 5.354 125.271 119.950 -0.054 0.000 2.334 437 F HA 0.514 5.045 4.527 0.006 0.000 0.367 437 F C 0.929 176.617 175.800 -0.187 0.000 1.115 437 F CA -0.315 57.618 58.000 -0.113 0.000 1.116 437 F CB 0.655 39.586 39.000 -0.115 0.000 1.230 437 F HN 0.378 nan 8.300 nan 0.000 0.484 438 R N 3.890 124.217 120.500 -0.288 0.000 2.265 438 R HA 0.391 4.735 4.340 0.006 0.000 0.319 438 R C -0.079 175.957 176.300 -0.440 0.000 1.006 438 R CA -0.537 55.218 56.100 -0.575 0.000 0.880 438 R CB 1.021 30.609 30.300 -1.188 0.000 1.077 438 R HN 0.698 nan 8.270 nan 0.000 0.454 439 L N 5.647 126.758 121.223 -0.186 0.000 2.955 439 L HA 0.192 4.535 4.340 0.006 0.000 0.238 439 L C -0.723 176.272 176.870 0.208 0.000 1.359 439 L CA -0.195 54.681 54.840 0.060 0.000 1.214 439 L CB -1.185 40.979 42.059 0.175 0.000 1.600 439 L HN 0.653 nan 8.230 nan 0.000 0.442 440 Y N -3.192 117.211 120.300 0.171 0.000 2.725 440 Y HA 0.549 5.102 4.550 0.006 0.000 0.333 440 Y C 0.121 176.198 175.900 0.295 0.000 1.242 440 Y CA -1.665 56.562 58.100 0.210 0.000 1.059 440 Y CB 0.436 39.010 38.460 0.191 0.000 1.306 440 Y HN -0.005 nan 8.280 nan 0.000 0.454 441 T N -2.487 112.340 114.554 0.455 0.000 2.904 441 T HA 0.197 4.550 4.350 0.006 0.000 0.290 441 T C 0.734 175.519 174.700 0.142 0.000 1.018 441 T CA 0.113 62.371 62.100 0.264 0.000 1.075 441 T CB 1.683 70.666 68.868 0.192 0.000 0.986 441 T HN 0.975 nan 8.240 nan 0.000 0.523 442 E N 0.519 120.510 120.200 -0.348 0.000 2.118 442 E HA -0.229 4.125 4.350 0.006 0.000 0.195 442 E C 1.921 178.431 176.600 -0.149 0.000 0.992 442 E CA 1.469 57.397 56.400 -0.786 0.000 0.804 442 E CB -0.043 29.128 29.700 -0.881 0.000 0.741 442 E HN 0.885 nan 8.360 nan 0.000 0.458 443 E N -0.248 119.924 120.200 -0.047 0.000 2.051 443 E HA -0.232 4.122 4.350 0.006 0.000 0.192 443 E C 1.977 178.618 176.600 0.067 0.000 0.991 443 E CA 1.059 57.468 56.400 0.014 0.000 0.799 443 E CB -0.184 29.528 29.700 0.020 0.000 0.748 443 E HN 0.368 nan 8.360 nan 0.000 0.449 444 A N 0.623 123.525 122.820 0.137 0.000 1.908 444 A HA -0.211 4.112 4.320 0.006 0.000 0.218 444 A C 2.007 179.679 177.584 0.147 0.000 1.181 444 A CA 1.494 53.616 52.037 0.143 0.000 0.627 444 A CB -0.915 18.217 19.000 0.219 0.000 0.818 444 A HN 0.525 nan 8.150 nan 0.000 0.445 445 F N 0.298 120.345 119.950 0.161 0.000 2.171 445 F HA -0.162 4.368 4.527 0.006 0.000 0.300 445 F C 2.347 178.185 175.800 0.063 0.000 1.090 445 F CA 2.061 60.169 58.000 0.180 0.000 1.293 445 F CB -0.052 39.200 39.000 0.419 0.000 1.013 445 F HN 0.192 nan 8.300 nan 0.000 0.486 446 Q N 0.237 120.021 119.800 -0.025 0.000 2.212 446 Q HA -0.023 4.321 4.340 0.006 0.000 0.199 446 Q C 1.769 177.682 176.000 -0.144 0.000 0.950 446 Q CA 1.210 56.925 55.803 -0.145 0.000 0.863 446 Q CB 0.010 28.742 28.738 -0.010 0.000 0.944 446 Q HN 0.494 nan 8.270 nan 0.000 0.465 447 K N -0.564 119.784 120.400 -0.087 0.000 2.474 447 K HA 0.145 4.468 4.320 0.006 0.000 0.202 447 K C 1.579 178.137 176.600 -0.071 0.000 1.248 447 K CA 0.062 56.306 56.287 -0.071 0.000 0.946 447 K CB 0.859 33.336 32.500 -0.039 0.000 1.102 447 K HN 0.083 nan 8.250 nan 0.000 0.541 448 E N 1.194 121.355 120.200 -0.064 0.000 2.057 448 E HA 0.092 4.445 4.350 0.006 0.000 0.190 448 E C 0.355 176.899 176.600 -0.094 0.000 0.969 448 E CA 0.154 56.517 56.400 -0.062 0.000 0.812 448 E CB 0.213 29.891 29.700 -0.037 0.000 0.777 448 E HN 0.074 nan 8.360 nan 0.000 0.455 449 L N 3.615 124.756 121.223 -0.137 0.000 2.499 449 L HA 0.072 4.416 4.340 0.006 0.000 0.273 449 L C 0.834 177.618 176.870 -0.144 0.000 1.195 449 L CA -0.292 54.451 54.840 -0.162 0.000 0.882 449 L CB -0.237 41.700 42.059 -0.204 0.000 1.133 449 L HN 0.247 nan 8.230 nan 0.000 0.483 450 I N -0.621 119.885 120.570 -0.108 0.000 2.892 450 I HA -0.017 4.157 4.170 0.006 0.000 0.287 450 I C 1.129 177.173 176.117 -0.122 0.000 1.205 450 I CA -0.351 60.892 61.300 -0.096 0.000 1.409 450 I CB 0.644 38.608 38.000 -0.061 0.000 1.367 450 I HN 0.622 nan 8.210 nan 0.000 0.597 451 E N 2.438 122.563 120.200 -0.125 0.000 2.031 451 E HA -0.171 4.182 4.350 0.006 0.000 0.193 451 E C 0.347 176.878 176.600 -0.115 0.000 0.994 451 E CA 1.634 57.958 56.400 -0.127 0.000 0.800 451 E CB 0.129 29.760 29.700 -0.115 0.000 0.752 451 E HN 0.771 nan 8.360 nan 0.000 0.447 452 Q N -1.104 118.614 119.800 -0.137 0.000 2.345 452 Q HA 0.412 4.756 4.340 0.006 0.000 0.275 452 Q C -1.394 174.501 176.000 -0.176 0.000 1.063 452 Q CA -0.501 55.225 55.803 -0.129 0.000 0.819 452 Q CB 2.161 30.822 28.738 -0.128 0.000 1.356 452 Q HN 0.014 nan 8.270 nan 0.000 0.418 453 S N 1.886 117.526 115.700 -0.100 0.000 2.585 453 S HA 0.303 4.776 4.470 0.006 0.000 0.273 453 S C -0.713 173.829 174.600 -0.097 0.000 1.339 453 S CA -0.241 57.923 58.200 -0.059 0.000 1.028 453 S CB 0.137 63.348 63.200 0.019 0.000 0.906 453 S HN 0.451 nan 8.310 nan 0.000 0.528 454 Y N 1.870 122.174 120.300 0.007 0.000 2.397 454 Y HA 0.239 4.793 4.550 0.006 0.000 0.335 454 Y C -1.841 174.058 175.900 -0.001 0.000 1.213 454 Y CA -1.708 56.393 58.100 0.002 0.000 1.391 454 Y CB -0.155 38.304 38.460 -0.002 0.000 1.293 454 Y HN 0.438 nan 8.280 nan 0.000 0.557 455 P HA -0.064 nan 4.420 nan 0.000 0.266 455 P C 0.573 177.899 177.300 0.044 0.000 1.195 455 P CA 0.149 63.290 63.100 0.068 0.000 0.768 455 P CB 0.646 32.363 31.700 0.029 0.000 0.838 456 E N 2.478 122.688 120.200 0.017 0.000 2.171 456 E HA -0.226 4.128 4.350 0.006 0.000 0.197 456 E C 1.529 178.090 176.600 -0.065 0.000 0.997 456 E CA 0.856 57.252 56.400 -0.007 0.000 0.810 456 E CB -0.202 29.493 29.700 -0.008 0.000 0.738 456 E HN 0.455 nan 8.360 nan 0.000 0.467 457 I N 0.507 121.013 120.570 -0.107 0.000 2.567 457 I HA -0.219 3.955 4.170 0.006 0.000 0.257 457 I C 1.430 177.423 176.117 -0.207 0.000 1.184 457 I CA 0.815 61.990 61.300 -0.209 0.000 1.451 457 I CB 0.184 37.979 38.000 -0.342 0.000 1.089 457 I HN 0.151 nan 8.210 nan 0.000 0.441 458 L N 0.282 121.430 121.223 -0.126 0.000 2.592 458 L HA 0.164 4.508 4.340 0.006 0.000 0.227 458 L C 1.112 177.929 176.870 -0.088 0.000 1.127 458 L CA 0.124 54.897 54.840 -0.113 0.000 0.884 458 L CB -0.199 41.817 42.059 -0.070 0.000 1.065 458 L HN 0.072 nan 8.230 nan 0.000 0.457 459 R N -0.910 119.543 120.500 -0.078 0.000 2.698 459 R HA 0.305 4.649 4.340 0.006 0.000 0.422 459 R C -0.317 175.938 176.300 -0.076 0.000 1.073 459 R CA -0.056 56.043 56.100 -0.002 0.000 1.054 459 R CB 1.215 31.537 30.300 0.036 0.000 1.373 459 R HN -0.070 nan 8.270 nan 0.000 0.593 460 S N 0.782 116.285 115.700 -0.330 0.000 2.547 460 S HA 0.226 4.699 4.470 0.006 0.000 0.281 460 S C -1.052 173.069 174.600 -0.798 0.000 1.118 460 S CA -0.805 57.154 58.200 -0.402 0.000 0.947 460 S CB 1.390 64.441 63.200 -0.249 0.000 1.053 460 S HN 0.330 nan 8.310 nan 0.000 0.482 461 N N 3.688 122.022 118.700 -0.609 0.000 2.513 461 N HA 0.136 4.880 4.740 0.006 0.000 0.268 461 N C -0.081 175.275 175.510 -0.258 0.000 1.180 461 N CA 0.181 52.977 53.050 -0.424 0.000 0.948 461 N CB 0.493 38.907 38.487 -0.121 0.000 1.083 461 N HN 0.680 nan 8.380 nan 0.000 0.455 462 L N 2.621 123.719 121.223 -0.209 0.000 2.910 462 L HA 0.069 4.413 4.340 0.006 0.000 0.252 462 L C 2.004 178.819 176.870 -0.092 0.000 1.195 462 L CA -0.181 54.569 54.840 -0.151 0.000 1.003 462 L CB -0.033 41.933 42.059 -0.155 0.000 1.328 462 L HN 0.620 nan 8.230 nan 0.000 0.540 463 S N -1.449 114.205 115.700 -0.078 0.000 2.368 463 S HA -0.183 4.291 4.470 0.006 0.000 0.224 463 S C 2.121 176.690 174.600 -0.051 0.000 1.029 463 S CA 1.578 59.744 58.200 -0.057 0.000 0.988 463 S CB -0.123 63.042 63.200 -0.058 0.000 0.838 463 S HN 0.321 nan 8.310 nan 0.000 0.462 464 S N 1.010 116.680 115.700 -0.050 0.000 2.368 464 S HA -0.079 4.395 4.470 0.006 0.000 0.225 464 S C 1.977 176.554 174.600 -0.039 0.000 1.030 464 S CA 1.808 59.986 58.200 -0.037 0.000 0.999 464 S CB -1.080 62.103 63.200 -0.027 0.000 0.844 464 S HN 0.766 nan 8.310 nan 0.000 0.459 465 T N 1.348 115.873 114.554 -0.049 0.000 2.788 465 T HA -0.046 4.308 4.350 0.006 0.000 0.268 465 T C 1.795 176.462 174.700 -0.055 0.000 1.044 465 T CA 1.296 63.367 62.100 -0.048 0.000 1.139 465 T CB -0.293 68.544 68.868 -0.052 0.000 0.867 465 T HN 0.219 nan 8.240 nan 0.000 0.454 466 V N 1.330 121.214 119.914 -0.051 0.000 2.358 466 V HA -0.073 4.051 4.120 0.006 0.000 0.246 466 V C 2.358 178.423 176.094 -0.049 0.000 1.047 466 V CA 1.120 63.391 62.300 -0.049 0.000 1.035 466 V CB -0.578 31.224 31.823 -0.035 0.000 0.658 466 V HN 0.325 nan 8.190 nan 0.000 0.452 467 L N 0.348 121.548 121.223 -0.038 0.000 2.046 467 L HA -0.179 4.165 4.340 0.006 0.000 0.208 467 L C 2.325 179.175 176.870 -0.033 0.000 1.077 467 L CA 1.971 56.794 54.840 -0.029 0.000 0.747 467 L CB -0.686 41.361 42.059 -0.020 0.000 0.896 467 L HN 0.383 nan 8.230 nan 0.000 0.432 468 E N -0.652 119.522 120.200 -0.042 0.000 2.031 468 E HA -0.226 4.128 4.350 0.006 0.000 0.193 468 E C 2.257 178.805 176.600 -0.087 0.000 0.994 468 E CA 1.645 58.017 56.400 -0.048 0.000 0.800 468 E CB -0.305 29.368 29.700 -0.044 0.000 0.752 468 E HN 0.483 nan 8.360 nan 0.000 0.447 469 L N 0.935 122.078 121.223 -0.133 0.000 2.042 469 L HA -0.217 4.127 4.340 0.006 0.000 0.210 469 L C 2.414 179.202 176.870 -0.137 0.000 1.076 469 L CA 0.950 55.664 54.840 -0.209 0.000 0.749 469 L CB -0.428 41.453 42.059 -0.296 0.000 0.893 469 L HN 0.040 nan 8.230 nan 0.000 0.432 470 K N 0.055 120.405 120.400 -0.083 0.000 2.057 470 K HA -0.157 4.167 4.320 0.006 0.000 0.207 470 K C 2.105 178.687 176.600 -0.030 0.000 1.049 470 K CA 1.048 57.308 56.287 -0.046 0.000 0.931 470 K CB -0.274 32.212 32.500 -0.024 0.000 0.714 470 K HN 0.103 nan 8.250 nan 0.000 0.440 471 K N 1.115 121.501 120.400 -0.024 0.000 2.211 471 K HA -0.003 4.321 4.320 0.006 0.000 0.203 471 K C 1.906 178.515 176.600 0.015 0.000 1.050 471 K CA 0.661 56.960 56.287 0.020 0.000 0.945 471 K CB -0.103 32.412 32.500 0.027 0.000 0.732 471 K HN 0.146 nan 8.250 nan 0.000 0.451 472 L N -0.245 120.901 121.223 -0.127 0.000 2.599 472 L HA 0.053 4.397 4.340 0.006 0.000 0.230 472 L C 0.952 177.512 176.870 -0.518 0.000 1.141 472 L CA 0.510 55.098 54.840 -0.420 0.000 0.877 472 L CB -0.161 41.730 42.059 -0.279 0.000 1.009 472 L HN 0.311 nan 8.230 nan 0.000 0.447 473 G N 1.002 109.693 108.800 -0.182 0.000 2.160 473 G HA2 -0.286 3.678 3.960 0.006 0.000 0.244 473 G HA3 -0.286 3.678 3.960 0.006 0.000 0.244 473 G C 0.068 174.937 174.900 -0.052 0.000 1.022 473 G CA -0.229 44.832 45.100 -0.065 0.000 0.741 473 G HN 0.309 nan 8.290 nan 0.000 0.508 474 I N 0.875 121.407 120.570 -0.062 0.000 2.301 474 I HA 0.272 4.446 4.170 0.006 0.000 0.292 474 I C 0.737 176.855 176.117 0.001 0.000 1.046 474 I CA -0.763 60.529 61.300 -0.013 0.000 1.282 474 I CB 1.034 39.015 38.000 -0.032 0.000 1.409 474 I HN -0.036 nan 8.210 nan 0.000 0.484 475 D N 2.897 123.312 120.400 0.025 0.000 2.197 475 D HA -0.068 4.576 4.640 0.006 0.000 0.212 475 D C 0.648 176.976 176.300 0.046 0.000 0.963 475 D CA 1.068 55.084 54.000 0.027 0.000 0.864 475 D CB 0.108 40.923 40.800 0.025 0.000 1.009 475 D HN 0.439 nan 8.370 nan 0.000 0.479 476 D N 1.217 121.659 120.400 0.070 0.000 2.508 476 D HA 0.067 4.711 4.640 0.006 0.000 0.224 476 D C 1.447 177.832 176.300 0.142 0.000 1.171 476 D CA -0.062 54.007 54.000 0.114 0.000 1.006 476 D CB 0.026 40.899 40.800 0.123 0.000 1.073 476 D HN 0.036 nan 8.370 nan 0.000 0.513 477 L N 2.142 123.425 121.223 0.099 0.000 2.131 477 L HA -0.152 4.192 4.340 0.006 0.000 0.210 477 L C 2.140 179.086 176.870 0.126 0.000 1.092 477 L CA 0.602 55.495 54.840 0.088 0.000 0.759 477 L CB -0.149 41.937 42.059 0.045 0.000 0.903 477 L HN 0.300 nan 8.230 nan 0.000 0.435 478 V N -1.269 118.699 119.914 0.089 0.000 2.427 478 V HA -0.258 3.865 4.120 0.006 0.000 0.248 478 V C 1.462 177.485 176.094 -0.119 0.000 1.051 478 V CA 1.633 63.914 62.300 -0.031 0.000 1.048 478 V CB -0.866 30.875 31.823 -0.137 0.000 0.666 478 V HN 0.492 nan 8.190 nan 0.000 0.456 479 H N -1.789 117.334 119.070 0.089 0.000 2.505 479 H HA 0.306 4.866 4.556 0.006 0.000 0.289 479 H C 0.214 175.561 175.328 0.033 0.000 1.052 479 H CA -0.822 55.258 56.048 0.054 0.000 1.156 479 H CB -0.186 29.586 29.762 0.017 0.000 1.507 479 H HN 0.383 nan 8.280 nan 0.000 0.548 480 F N 1.883 121.815 119.950 -0.030 0.000 2.578 480 F HA -0.013 4.518 4.527 0.006 0.000 0.376 480 F C 0.743 176.394 175.800 -0.248 0.000 1.085 480 F CA -0.651 57.221 58.000 -0.214 0.000 1.260 480 F CB 0.567 39.302 39.000 -0.442 0.000 1.095 480 F HN 0.074 nan 8.300 nan 0.000 0.573 481 D N 6.307 126.203 120.400 -0.841 0.000 2.662 481 D HA 0.029 4.673 4.640 0.006 0.000 0.228 481 D C -0.589 175.536 176.300 -0.292 0.000 1.093 481 D CA 0.121 53.846 54.000 -0.458 0.000 1.075 481 D CB -0.995 39.538 40.800 -0.446 0.000 1.122 481 D HN 0.167 nan 8.370 nan 0.000 0.475 482 F N 1.189 121.158 119.950 0.031 0.000 2.471 482 F HA 0.106 4.636 4.527 0.006 0.000 0.353 482 F C 1.799 177.574 175.800 -0.042 0.000 1.113 482 F CA -0.389 57.653 58.000 0.070 0.000 1.262 482 F CB 0.918 39.981 39.000 0.105 0.000 1.146 482 F HN 0.176 nan 8.300 nan 0.000 0.578 483 M N 0.787 120.346 119.600 -0.068 0.000 2.175 483 M HA -0.082 4.401 4.480 0.006 0.000 0.264 483 M C -0.333 175.884 176.300 -0.138 0.000 1.063 483 M CA 1.894 56.950 55.300 -0.407 0.000 1.119 483 M CB 0.147 32.218 32.600 -0.880 0.000 1.377 483 M HN 0.403 nan 8.290 nan 0.000 0.415 484 D N 1.681 122.049 120.400 -0.053 0.000 2.421 484 D HA 0.349 4.992 4.640 0.006 0.000 0.254 484 D C -2.561 173.721 176.300 -0.031 0.000 1.238 484 D CA -1.278 52.702 54.000 -0.033 0.000 0.919 484 D CB 1.534 42.302 40.800 -0.053 0.000 1.152 484 D HN 0.082 nan 8.370 nan 0.000 0.552 485 P HA 0.121 nan 4.420 nan 0.000 0.266 485 P C -2.394 174.851 177.300 -0.091 0.000 1.195 485 P CA -0.806 62.318 63.100 0.039 0.000 0.768 485 P CB 0.090 31.839 31.700 0.082 0.000 0.838 486 P HA 0.226 nan 4.420 nan 0.000 0.276 486 P C -0.788 176.462 177.300 -0.083 0.000 1.252 486 P CA -0.622 62.375 63.100 -0.172 0.000 0.802 486 P CB 0.461 32.010 31.700 -0.253 0.000 1.035 487 A N 2.375 125.154 122.820 -0.068 0.000 2.520 487 A HA 0.215 4.538 4.320 0.006 0.000 0.245 487 A C -1.311 176.255 177.584 -0.030 0.000 1.072 487 A CA -0.654 51.361 52.037 -0.036 0.000 0.761 487 A CB -1.111 17.878 19.000 -0.020 0.000 1.004 487 A HN 0.400 nan 8.150 nan 0.000 0.499 488 P HA -0.228 nan 4.420 nan 0.000 0.217 488 P C 1.172 178.467 177.300 -0.009 0.000 1.148 488 P CA 1.719 64.809 63.100 -0.017 0.000 0.834 488 P CB 0.181 31.868 31.700 -0.021 0.000 0.783 489 E N -0.716 119.481 120.200 -0.004 0.000 2.152 489 E HA -0.127 4.227 4.350 0.006 0.000 0.192 489 E C 1.728 178.337 176.600 0.015 0.000 0.983 489 E CA 1.894 58.299 56.400 0.007 0.000 0.818 489 E CB -1.842 27.864 29.700 0.010 0.000 0.758 489 E HN 0.351 nan 8.360 nan 0.000 0.467 490 T N -0.331 114.228 114.554 0.008 0.000 2.788 490 T HA -0.080 4.274 4.350 0.006 0.000 0.268 490 T C 2.035 176.717 174.700 -0.029 0.000 1.044 490 T CA 0.988 63.085 62.100 -0.004 0.000 1.139 490 T CB -0.165 68.665 68.868 -0.063 0.000 0.867 490 T HN -0.053 nan 8.240 nan 0.000 0.454 491 M N 0.386 119.969 119.600 -0.030 0.000 2.099 491 M HA 0.047 4.531 4.480 0.006 0.000 0.262 491 M C 2.472 178.771 176.300 -0.003 0.000 1.067 491 M CA 1.311 56.600 55.300 -0.019 0.000 1.124 491 M CB -0.854 31.746 32.600 -0.000 0.000 1.353 491 M HN 0.273 nan 8.290 nan 0.000 0.410 492 M N -0.252 119.351 119.600 0.004 0.000 2.080 492 M HA -0.187 4.297 4.480 0.006 0.000 0.260 492 M C 2.152 178.464 176.300 0.020 0.000 1.068 492 M CA 1.762 57.069 55.300 0.011 0.000 1.109 492 M CB -1.392 31.215 32.600 0.012 0.000 1.342 492 M HN 0.257 nan 8.290 nan 0.000 0.405 493 R N -0.069 120.447 120.500 0.026 0.000 2.091 493 R HA -0.118 4.226 4.340 0.006 0.000 0.238 493 R C 2.331 178.655 176.300 0.039 0.000 1.136 493 R CA 1.603 57.730 56.100 0.044 0.000 0.959 493 R CB -0.630 29.700 30.300 0.051 0.000 0.856 493 R HN 0.439 nan 8.270 nan 0.000 0.437 494 A N 1.204 124.031 122.820 0.012 0.000 1.877 494 A HA -0.139 4.185 4.320 0.006 0.000 0.216 494 A C 2.188 179.775 177.584 0.006 0.000 1.186 494 A CA 1.155 53.190 52.037 -0.003 0.000 0.620 494 A CB -0.567 18.414 19.000 -0.031 0.000 0.822 494 A HN 0.180 nan 8.150 nan 0.000 0.443 495 L N -0.789 120.438 121.223 0.006 0.000 2.012 495 L HA -0.262 4.082 4.340 0.006 0.000 0.210 495 L C 2.704 179.581 176.870 0.011 0.000 1.073 495 L CA 2.073 56.916 54.840 0.005 0.000 0.748 495 L CB -0.511 41.551 42.059 0.004 0.000 0.891 495 L HN 0.623 nan 8.230 nan 0.000 0.431 496 E N 0.156 120.371 120.200 0.026 0.000 2.058 496 E HA -0.262 4.091 4.350 0.006 0.000 0.194 496 E C 2.061 178.730 176.600 0.115 0.000 0.997 496 E CA 1.442 57.863 56.400 0.035 0.000 0.801 496 E CB 0.029 29.783 29.700 0.091 0.000 0.746 496 E HN 0.449 nan 8.360 nan 0.000 0.450 497 E N 0.233 120.519 120.200 0.144 0.000 2.058 497 E HA -0.210 4.144 4.350 0.006 0.000 0.194 497 E C 2.303 178.964 176.600 0.100 0.000 0.997 497 E CA 1.214 57.705 56.400 0.150 0.000 0.801 497 E CB -0.122 29.600 29.700 0.037 0.000 0.746 497 E HN 0.364 nan 8.360 nan 0.000 0.450 498 L N 1.120 122.368 121.223 0.041 0.000 2.191 498 L HA -0.183 4.161 4.340 0.006 0.000 0.212 498 L C 2.428 179.320 176.870 0.037 0.000 1.103 498 L CA 0.760 55.612 54.840 0.021 0.000 0.769 498 L CB -0.485 41.574 42.059 -0.000 0.000 0.908 498 L HN 0.247 nan 8.230 nan 0.000 0.438 499 N N -0.364 118.349 118.700 0.021 0.000 2.080 499 N HA -0.226 4.518 4.740 0.006 0.000 0.189 499 N C 2.074 177.598 175.510 0.023 0.000 1.036 499 N CA 1.195 54.233 53.050 -0.019 0.000 0.846 499 N CB -0.047 38.380 38.487 -0.099 0.000 1.015 499 N HN 0.156 nan 8.380 nan 0.000 0.423 500 Y N 1.463 121.841 120.300 0.130 0.000 2.207 500 Y HA -0.088 4.465 4.550 0.006 0.000 0.287 500 Y C 2.192 178.250 175.900 0.264 0.000 1.156 500 Y CA 0.922 59.151 58.100 0.214 0.000 1.182 500 Y CB -0.384 38.254 38.460 0.296 0.000 0.979 500 Y HN 0.118 nan 8.280 nan 0.000 0.521 501 L N -0.892 120.525 121.223 0.323 0.000 2.465 501 L HA -0.018 4.326 4.340 0.006 0.000 0.224 501 L C 1.631 178.583 176.870 0.136 0.000 1.145 501 L CA 0.756 55.726 54.840 0.216 0.000 0.834 501 L CB -0.578 41.501 42.059 0.033 0.000 0.944 501 L HN 0.306 nan 8.230 nan 0.000 0.451 502 A N -1.985 120.896 122.820 0.103 0.000 2.945 502 A HA -0.263 4.061 4.320 0.006 0.000 0.251 502 A C 1.493 179.092 177.584 0.024 0.000 1.355 502 A CA 0.885 52.948 52.037 0.044 0.000 0.905 502 A CB -2.420 16.599 19.000 0.033 0.000 1.104 502 A HN 0.487 nan 8.150 nan 0.000 0.733 503 C N -0.777 118.537 119.300 0.023 0.000 2.485 503 C HA 0.445 4.909 4.460 0.006 0.000 0.277 503 C C 1.144 176.139 174.990 0.008 0.000 1.376 503 C CA 1.116 60.140 59.018 0.010 0.000 1.759 503 C CB -0.838 26.903 27.740 0.001 0.000 1.970 503 C HN 0.609 nan 8.230 nan 0.000 0.509 504 L N 1.165 122.394 121.223 0.009 0.000 2.370 504 L HA 0.440 4.783 4.340 0.006 0.000 0.266 504 L C -0.653 176.222 176.870 0.008 0.000 1.002 504 L CA -0.629 54.215 54.840 0.008 0.000 0.818 504 L CB 1.642 43.704 42.059 0.005 0.000 1.325 504 L HN 0.167 nan 8.230 nan 0.000 0.418 505 D N -0.817 119.592 120.400 0.015 0.000 2.451 505 D HA 0.027 4.671 4.640 0.006 0.000 0.259 505 D C 0.523 176.848 176.300 0.042 0.000 1.201 505 D CA -0.499 53.517 54.000 0.027 0.000 1.028 505 D CB 0.487 41.309 40.800 0.036 0.000 1.095 505 D HN 0.617 nan 8.370 nan 0.000 0.539 506 D N -1.094 119.360 120.400 0.090 0.000 2.350 506 D HA -0.175 4.468 4.640 0.006 0.000 0.216 506 D C 0.396 176.724 176.300 0.047 0.000 0.968 506 D CA 0.595 54.649 54.000 0.091 0.000 0.894 506 D CB -0.233 40.682 40.800 0.193 0.000 0.909 506 D HN 0.764 nan 8.370 nan 0.000 0.520 507 E N -0.030 120.197 120.200 0.044 0.000 2.465 507 E HA 0.334 4.687 4.350 0.006 0.000 0.195 507 E C 0.996 177.608 176.600 0.021 0.000 1.028 507 E CA 0.088 56.504 56.400 0.027 0.000 0.899 507 E CB 0.291 30.007 29.700 0.027 0.000 1.032 507 E HN 0.248 nan 8.360 nan 0.000 0.468 508 G N 1.683 110.495 108.800 0.020 0.000 2.136 508 G HA2 -0.222 3.742 3.960 0.006 0.000 0.242 508 G HA3 -0.222 3.742 3.960 0.006 0.000 0.242 508 G C -0.287 174.621 174.900 0.014 0.000 0.989 508 G CA -0.210 44.898 45.100 0.014 0.000 0.682 508 G HN 0.235 nan 8.290 nan 0.000 0.522 509 N N 0.005 118.716 118.700 0.018 0.000 2.443 509 N HA 0.535 5.278 4.740 0.006 0.000 0.295 509 N C 0.354 175.873 175.510 0.016 0.000 1.076 509 N CA -0.696 52.365 53.050 0.018 0.000 0.919 509 N CB 1.250 39.750 38.487 0.022 0.000 1.176 509 N HN 0.039 nan 8.380 nan 0.000 0.487 510 L N 1.432 122.665 121.223 0.016 0.000 2.559 510 L HA 0.012 4.356 4.340 0.006 0.000 0.282 510 L C 1.382 178.261 176.870 0.015 0.000 1.232 510 L CA 0.594 55.442 54.840 0.014 0.000 0.885 510 L CB -0.566 41.504 42.059 0.017 0.000 1.131 510 L HN 0.677 nan 8.230 nan 0.000 0.498 511 T N 1.323 115.885 114.554 0.013 0.000 2.936 511 T HA 0.477 4.830 4.350 0.006 0.000 0.282 511 T C -1.872 172.837 174.700 0.014 0.000 1.003 511 T CA -1.819 60.288 62.100 0.012 0.000 1.005 511 T CB 1.286 70.159 68.868 0.007 0.000 1.097 511 T HN 0.383 nan 8.240 nan 0.000 0.532 512 P HA -0.091 nan 4.420 nan 0.000 0.216 512 P C 1.660 178.974 177.300 0.023 0.000 1.150 512 P CA 0.492 63.605 63.100 0.022 0.000 0.843 512 P CB -0.068 31.648 31.700 0.027 0.000 0.787 513 L N -0.346 120.888 121.223 0.019 0.000 2.027 513 L HA 0.004 4.347 4.340 0.006 0.000 0.206 513 L C 2.298 179.178 176.870 0.017 0.000 1.074 513 L CA 2.415 57.266 54.840 0.019 0.000 0.745 513 L CB -1.658 40.407 42.059 0.010 0.000 0.898 513 L HN -0.047 nan 8.230 nan 0.000 0.433 514 G N -1.040 107.767 108.800 0.012 0.000 2.422 514 G HA2 -0.298 3.666 3.960 0.006 0.000 0.218 514 G HA3 -0.298 3.666 3.960 0.006 0.000 0.218 514 G C 1.831 176.737 174.900 0.010 0.000 1.146 514 G CA 0.806 45.912 45.100 0.010 0.000 0.769 514 G HN 0.365 nan 8.290 nan 0.000 0.547 515 R N -0.922 119.582 120.500 0.007 0.000 2.075 515 R HA 0.060 4.404 4.340 0.006 0.000 0.232 515 R C 2.407 178.686 176.300 -0.035 0.000 1.126 515 R CA 0.917 57.013 56.100 -0.007 0.000 0.963 515 R CB -0.331 29.968 30.300 -0.002 0.000 0.858 515 R HN 0.358 nan 8.270 nan 0.000 0.435 516 L N 0.021 121.234 121.223 -0.017 0.000 2.072 516 L HA 0.074 4.418 4.340 0.006 0.000 0.205 516 L C 2.050 178.981 176.870 0.102 0.000 1.079 516 L CA 1.899 56.727 54.840 -0.020 0.000 0.752 516 L CB -0.687 41.406 42.059 0.056 0.000 0.906 516 L HN 0.155 nan 8.230 nan 0.000 0.436 517 A N -0.927 121.953 122.820 0.099 0.000 1.978 517 A HA -0.216 4.107 4.320 0.006 0.000 0.220 517 A C 2.412 180.081 177.584 0.140 0.000 1.170 517 A CA 1.846 53.960 52.037 0.130 0.000 0.636 517 A CB -1.026 17.994 19.000 0.034 0.000 0.810 517 A HN 0.646 nan 8.150 nan 0.000 0.448 518 S N -1.109 114.624 115.700 0.056 0.000 2.561 518 S HA -0.063 4.410 4.470 0.006 0.000 0.225 518 S C 1.431 176.029 174.600 -0.002 0.000 0.977 518 S CA 0.812 59.029 58.200 0.027 0.000 0.926 518 S CB -0.179 63.025 63.200 0.006 0.000 0.769 518 S HN 0.568 nan 8.310 nan 0.000 0.533 519 Q N -0.011 119.754 119.800 -0.057 0.000 2.425 519 Q HA 0.322 4.666 4.340 0.006 0.000 0.204 519 Q C -0.752 175.107 176.000 -0.235 0.000 0.933 519 Q CA 0.267 55.932 55.803 -0.230 0.000 0.939 519 Q CB -0.032 28.295 28.738 -0.684 0.000 1.044 519 Q HN 0.635 nan 8.270 nan 0.000 0.513 520 F N 1.749 121.693 119.950 -0.011 0.000 2.436 520 F HA 0.301 4.832 4.527 0.006 0.000 0.340 520 F C -1.760 174.057 175.800 0.027 0.000 1.113 520 F CA -2.656 55.374 58.000 0.051 0.000 1.022 520 F CB 1.547 40.590 39.000 0.071 0.000 1.128 520 F HN -0.178 nan 8.300 nan 0.000 0.466 521 P HA 0.208 nan 4.420 nan 0.000 0.226 521 P C -0.969 176.394 177.300 0.103 0.000 1.783 521 P CA 0.507 63.615 63.100 0.013 0.000 0.980 521 P CB -0.145 31.388 31.700 -0.277 0.000 1.967 522 L N -0.384 120.930 121.223 0.151 0.000 2.434 522 L HA 0.411 4.755 4.340 0.006 0.000 0.260 522 L C 0.341 177.256 176.870 0.075 0.000 0.983 522 L CA -1.182 53.745 54.840 0.145 0.000 0.820 522 L CB 2.156 44.316 42.059 0.168 0.000 1.361 522 L HN -0.009 nan 8.230 nan 0.000 0.410 523 D N 2.460 122.894 120.400 0.057 0.000 2.548 523 D HA -0.035 4.608 4.640 0.006 0.000 0.231 523 D C -1.809 174.470 176.300 -0.036 0.000 1.142 523 D CA -0.731 53.275 54.000 0.010 0.000 0.866 523 D CB 1.666 42.478 40.800 0.019 0.000 1.190 523 D HN 0.220 nan 8.370 nan 0.000 0.469 524 P HA -0.170 nan 4.420 nan 0.000 0.215 524 P C 1.765 178.954 177.300 -0.185 0.000 1.157 524 P CA 1.705 64.746 63.100 -0.099 0.000 0.874 524 P CB 0.034 31.676 31.700 -0.097 0.000 0.790 525 M N -1.870 117.546 119.600 -0.308 0.000 2.108 525 M HA -0.162 4.322 4.480 0.006 0.000 0.261 525 M C 2.096 178.124 176.300 -0.453 0.000 1.066 525 M CA 1.769 56.716 55.300 -0.589 0.000 1.107 525 M CB -0.896 31.050 32.600 -1.090 0.000 1.356 525 M HN -0.049 nan 8.290 nan 0.000 0.406 526 L N -0.524 120.581 121.223 -0.196 0.000 2.072 526 L HA -0.112 4.232 4.340 0.006 0.000 0.205 526 L C 2.842 179.669 176.870 -0.072 0.000 1.079 526 L CA 0.991 55.833 54.840 0.003 0.000 0.752 526 L CB -0.801 41.319 42.059 0.101 0.000 0.906 526 L HN 0.276 nan 8.230 nan 0.000 0.436 527 A N -0.404 122.353 122.820 -0.106 0.000 1.902 527 A HA -0.144 4.180 4.320 0.006 0.000 0.217 527 A C 2.333 179.790 177.584 -0.212 0.000 1.181 527 A CA 1.696 53.615 52.037 -0.197 0.000 0.623 527 A CB -0.760 18.183 19.000 -0.095 0.000 0.818 527 A HN 0.187 nan 8.150 nan 0.000 0.443 528 V N -0.185 119.642 119.914 -0.144 0.000 2.307 528 V HA -0.301 3.823 4.120 0.006 0.000 0.245 528 V C 2.580 178.625 176.094 -0.082 0.000 1.045 528 V CA 2.203 64.441 62.300 -0.103 0.000 1.024 528 V CB -0.642 31.128 31.823 -0.088 0.000 0.651 528 V HN 0.736 nan 8.190 nan 0.000 0.449 529 M N -0.556 118.994 119.600 -0.083 0.000 2.082 529 M HA -0.247 4.237 4.480 0.006 0.000 0.258 529 M C 2.126 178.396 176.300 -0.050 0.000 1.069 529 M CA 2.215 57.494 55.300 -0.036 0.000 1.102 529 M CB -0.230 32.396 32.600 0.043 0.000 1.336 529 M HN 0.369 nan 8.290 nan 0.000 0.404 530 L N 0.853 122.016 121.223 -0.100 0.000 2.027 530 L HA -0.171 4.172 4.340 0.006 0.000 0.206 530 L C 2.173 178.974 176.870 -0.114 0.000 1.074 530 L CA 1.656 56.418 54.840 -0.130 0.000 0.745 530 L CB -0.761 41.141 42.059 -0.262 0.000 0.898 530 L HN 0.361 nan 8.230 nan 0.000 0.433 531 I N -0.151 120.319 120.570 -0.166 0.000 2.208 531 I HA -0.216 3.957 4.170 0.006 0.000 0.245 531 I C 2.413 178.497 176.117 -0.055 0.000 1.097 531 I CA 1.620 62.873 61.300 -0.079 0.000 1.363 531 I CB -2.033 35.924 38.000 -0.072 0.000 1.051 531 I HN 0.440 nan 8.210 nan 0.000 0.413 532 G N 0.467 109.230 108.800 -0.061 0.000 2.572 532 G HA2 -0.146 3.817 3.960 0.006 0.000 0.216 532 G HA3 -0.146 3.817 3.960 0.006 0.000 0.216 532 G C 1.739 176.606 174.900 -0.055 0.000 1.133 532 G CA 0.836 45.883 45.100 -0.087 0.000 0.791 532 G HN 0.528 nan 8.290 nan 0.000 0.538 533 S N 1.593 117.316 115.700 0.039 0.000 2.383 533 S HA -0.228 4.246 4.470 0.006 0.000 0.229 533 S C 2.137 176.802 174.600 0.108 0.000 1.030 533 S CA 1.593 59.866 58.200 0.122 0.000 1.002 533 S CB -0.720 62.518 63.200 0.063 0.000 0.829 533 S HN 0.702 nan 8.310 nan 0.000 0.467 534 F N 2.166 122.153 119.950 0.061 0.000 2.333 534 F HA 0.204 4.735 4.527 0.006 0.000 0.300 534 F C 1.975 177.764 175.800 -0.018 0.000 1.083 534 F CA 0.928 58.943 58.000 0.026 0.000 1.395 534 F CB -0.609 38.403 39.000 0.021 0.000 1.056 534 F HN 0.069 nan 8.300 nan 0.000 0.529 535 E N 0.205 120.064 120.200 -0.569 0.000 2.358 535 E HA -0.064 4.290 4.350 0.006 0.000 0.195 535 E C 1.077 177.376 176.600 -0.501 0.000 1.010 535 E CA 0.682 56.748 56.400 -0.556 0.000 0.856 535 E CB -0.355 28.893 29.700 -0.754 0.000 0.795 535 E HN 0.569 nan 8.360 nan 0.000 0.504 536 F N 0.067 119.919 119.950 -0.164 0.000 2.641 536 F HA 0.136 4.667 4.527 0.006 0.000 0.302 536 F C 0.747 176.484 175.800 -0.105 0.000 1.098 536 F CA -0.235 57.677 58.000 -0.147 0.000 1.318 536 F CB 0.322 39.217 39.000 -0.176 0.000 1.035 536 F HN -0.178 nan 8.300 nan 0.000 0.551 537 Q N 0.190 120.034 119.800 0.075 0.000 2.468 537 Q HA -0.263 4.081 4.340 0.006 0.000 0.289 537 Q C 0.048 176.076 176.000 0.046 0.000 1.299 537 Q CA 1.039 56.883 55.803 0.069 0.000 0.838 537 Q CB -1.589 27.170 28.738 0.035 0.000 1.195 537 Q HN 0.588 nan 8.270 nan 0.000 0.456 538 C N -3.796 115.538 119.300 0.056 0.000 3.573 538 C HA 0.534 4.997 4.460 0.006 0.000 0.319 538 C C 1.720 176.725 174.990 0.025 0.000 2.699 538 C CA -0.011 59.005 59.018 -0.005 0.000 1.507 538 C CB -0.508 27.160 27.740 -0.121 0.000 2.945 538 C HN 0.509 nan 8.230 nan 0.000 0.438 539 S N 0.710 116.462 115.700 0.086 0.000 2.423 539 S HA -0.197 4.276 4.470 0.006 0.000 0.231 539 S C 1.670 176.311 174.600 0.068 0.000 1.014 539 S CA 1.376 59.634 58.200 0.097 0.000 0.965 539 S CB -0.462 62.843 63.200 0.175 0.000 0.785 539 S HN 0.815 nan 8.310 nan 0.000 0.495 540 Q N 0.747 120.588 119.800 0.068 0.000 2.079 540 Q HA -0.114 4.229 4.340 0.006 0.000 0.200 540 Q C 2.073 178.107 176.000 0.058 0.000 0.974 540 Q CA 1.658 57.503 55.803 0.070 0.000 0.840 540 Q CB -0.199 28.591 28.738 0.087 0.000 0.898 540 Q HN 0.616 nan 8.270 nan 0.000 0.430 541 E N 0.279 120.502 120.200 0.039 0.000 2.107 541 E HA -0.096 4.258 4.350 0.006 0.000 0.191 541 E C 1.830 178.426 176.600 -0.007 0.000 0.982 541 E CA 0.590 57.003 56.400 0.023 0.000 0.809 541 E CB 0.043 29.722 29.700 -0.035 0.000 0.756 541 E HN 0.218 nan 8.360 nan 0.000 0.459 542 I N 0.651 121.208 120.570 -0.021 0.000 2.252 542 I HA -0.195 3.978 4.170 0.006 0.000 0.245 542 I C 2.299 178.403 176.117 -0.021 0.000 1.102 542 I CA 0.918 62.202 61.300 -0.027 0.000 1.385 542 I CB -0.945 37.036 38.000 -0.031 0.000 1.064 542 I HN 0.213 nan 8.210 nan 0.000 0.414 543 L N 0.589 121.807 121.223 -0.009 0.000 2.010 543 L HA -0.338 4.005 4.340 0.006 0.000 0.219 543 L C 2.560 179.380 176.870 -0.084 0.000 1.077 543 L CA 2.173 57.001 54.840 -0.020 0.000 0.773 543 L CB -0.455 41.610 42.059 0.009 0.000 0.892 543 L HN 0.257 nan 8.230 nan 0.000 0.436 544 T N 0.021 114.511 114.554 -0.108 0.000 2.746 544 T HA -0.186 4.168 4.350 0.006 0.000 0.267 544 T C 1.824 176.418 174.700 -0.176 0.000 1.039 544 T CA 1.697 63.660 62.100 -0.228 0.000 1.142 544 T CB -0.230 68.560 68.868 -0.131 0.000 0.866 544 T HN 0.282 nan 8.240 nan 0.000 0.444 545 I N 0.669 121.196 120.570 -0.072 0.000 2.252 545 I HA -0.134 4.040 4.170 0.006 0.000 0.245 545 I C 2.437 178.535 176.117 -0.032 0.000 1.102 545 I CA 0.818 62.102 61.300 -0.027 0.000 1.385 545 I CB -0.362 37.651 38.000 0.022 0.000 1.064 545 I HN 0.085 nan 8.210 nan 0.000 0.414 546 V N 1.021 120.918 119.914 -0.029 0.000 2.343 546 V HA -0.293 3.830 4.120 0.006 0.000 0.247 546 V C 2.716 178.783 176.094 -0.045 0.000 1.051 546 V CA 1.983 64.279 62.300 -0.006 0.000 1.036 546 V CB -0.991 30.833 31.823 0.002 0.000 0.654 546 V HN 0.493 nan 8.190 nan 0.000 0.451 547 A N -0.524 122.226 122.820 -0.117 0.000 1.902 547 A HA -0.217 4.107 4.320 0.006 0.000 0.217 547 A C 2.214 179.697 177.584 -0.168 0.000 1.181 547 A CA 1.985 53.910 52.037 -0.186 0.000 0.623 547 A CB -0.457 18.371 19.000 -0.287 0.000 0.818 547 A HN 0.406 nan 8.150 nan 0.000 0.443 548 M N -0.611 118.891 119.600 -0.163 0.000 2.229 548 M HA 0.011 4.495 4.480 0.006 0.000 0.264 548 M C 1.913 178.166 176.300 -0.078 0.000 1.063 548 M CA 1.111 56.337 55.300 -0.124 0.000 1.114 548 M CB -1.122 31.422 32.600 -0.094 0.000 1.387 548 M HN 0.382 nan 8.290 nan 0.000 0.420 549 L N -0.754 120.439 121.223 -0.050 0.000 2.478 549 L HA -0.049 4.295 4.340 0.006 0.000 0.223 549 L C 1.457 178.331 176.870 0.007 0.000 1.140 549 L CA 0.317 55.144 54.840 -0.022 0.000 0.842 549 L CB -0.268 41.796 42.059 0.008 0.000 0.953 549 L HN 0.140 nan 8.230 nan 0.000 0.452 550 S N -0.772 114.927 115.700 -0.002 0.000 2.679 550 S HA 0.244 4.718 4.470 0.006 0.000 0.233 550 S C 0.060 174.673 174.600 0.021 0.000 0.951 550 S CA -0.010 58.212 58.200 0.038 0.000 0.973 550 S CB 0.171 63.396 63.200 0.043 0.000 0.778 550 S HN 0.045 nan 8.310 nan 0.000 0.477 551 V N 1.604 121.512 119.914 -0.010 0.000 3.178 551 V HA 0.376 4.500 4.120 0.006 0.000 0.302 551 V C -2.575 173.499 176.094 -0.033 0.000 1.262 551 V CA -2.060 60.224 62.300 -0.027 0.000 1.030 551 V CB 2.317 34.095 31.823 -0.075 0.000 1.074 551 V HN 0.047 nan 8.190 nan 0.000 0.438 552 P HA 0.152 nan 4.420 nan 0.000 0.271 552 P C -0.625 176.645 177.300 -0.049 0.000 1.233 552 P CA -0.224 62.855 63.100 -0.035 0.000 0.789 552 P CB 0.227 31.904 31.700 -0.039 0.000 0.951 553 N N 0.768 119.451 118.700 -0.028 0.000 2.217 553 N HA -0.094 4.650 4.740 0.006 0.000 0.268 553 N C 0.661 176.149 175.510 -0.038 0.000 1.290 553 N CA 0.607 53.660 53.050 0.005 0.000 0.831 553 N CB 0.231 38.738 38.487 0.033 0.000 1.057 553 N HN 0.025 nan 8.380 nan 0.000 0.481 554 V N 3.762 123.604 119.914 -0.121 0.000 3.354 554 V HA 0.107 4.231 4.120 0.006 0.000 0.258 554 V C 0.248 176.133 176.094 -0.349 0.000 1.159 554 V CA 0.398 62.510 62.300 -0.314 0.000 1.125 554 V CB -0.717 30.793 31.823 -0.521 0.000 0.774 554 V HN 0.492 nan 8.190 nan 0.000 0.464 555 F N 0.908 120.850 119.950 -0.013 0.000 2.438 555 F HA 0.396 4.927 4.527 0.007 0.000 0.356 555 F C 0.400 176.227 175.800 0.045 0.000 1.099 555 F CA -0.386 57.631 58.000 0.029 0.000 1.185 555 F CB 0.363 39.382 39.000 0.031 0.000 1.115 555 F HN -0.117 nan 8.300 nan 0.000 0.526 556 I N 4.203 124.919 120.570 0.243 0.000 2.342 556 I HA 0.322 4.496 4.170 0.006 0.000 0.291 556 I C 0.060 176.311 176.117 0.224 0.000 1.010 556 I CA -0.375 61.048 61.300 0.205 0.000 1.308 556 I CB 1.424 39.546 38.000 0.203 0.000 1.400 556 I HN 0.645 nan 8.210 nan 0.000 0.488 557 R N 7.040 127.622 120.500 0.138 0.000 2.629 557 R HA 0.382 4.726 4.340 0.006 0.000 0.275 557 R C -2.580 173.756 176.300 0.059 0.000 1.719 557 R CA -1.376 54.768 56.100 0.074 0.000 1.472 557 R CB 0.984 31.305 30.300 0.035 0.000 1.237 557 R HN 0.356 nan 8.270 nan 0.000 0.589 558 P HA 0.059 nan 4.420 nan 0.000 0.265 558 P C 0.390 177.705 177.300 0.026 0.000 1.193 558 P CA 0.011 63.151 63.100 0.066 0.000 0.765 558 P CB 1.100 32.864 31.700 0.107 0.000 0.823 559 T N 1.676 116.236 114.554 0.010 0.000 2.803 559 T HA -0.159 4.195 4.350 0.006 0.000 0.269 559 T C 1.122 175.817 174.700 -0.008 0.000 1.052 559 T CA 1.337 63.433 62.100 -0.007 0.000 1.136 559 T CB -0.236 68.623 68.868 -0.014 0.000 0.864 559 T HN 0.573 nan 8.240 nan 0.000 0.467 560 K N 0.523 120.925 120.400 0.003 0.000 2.410 560 K HA 0.211 4.535 4.320 0.006 0.000 0.200 560 K C 0.180 176.785 176.600 0.008 0.000 1.023 560 K CA 0.250 56.539 56.287 0.003 0.000 1.149 560 K CB 0.523 33.027 32.500 0.006 0.000 0.859 560 K HN 0.030 nan 8.250 nan 0.000 0.514 561 D N 1.296 121.701 120.400 0.008 0.000 2.822 561 D HA 0.135 4.779 4.640 0.006 0.000 0.327 561 D C 0.455 176.713 176.300 -0.070 0.000 1.577 561 D CA -0.070 53.932 54.000 0.003 0.000 0.785 561 D CB 0.465 41.319 40.800 0.091 0.000 1.199 561 D HN -0.001 nan 8.370 nan 0.000 0.443 562 K N 0.138 120.498 120.400 -0.067 0.000 2.063 562 K HA -0.141 4.183 4.320 0.006 0.000 0.208 562 K C 1.892 178.409 176.600 -0.138 0.000 1.048 562 K CA 0.649 56.879 56.287 -0.095 0.000 0.928 562 K CB 0.258 32.718 32.500 -0.066 0.000 0.713 562 K HN -0.027 nan 8.250 nan 0.000 0.442 563 K N 1.815 122.146 120.400 -0.115 0.000 2.026 563 K HA -0.136 4.187 4.320 0.006 0.000 0.208 563 K C 2.046 178.546 176.600 -0.167 0.000 1.048 563 K CA 1.432 57.650 56.287 -0.115 0.000 0.929 563 K CB -0.017 32.437 32.500 -0.077 0.000 0.713 563 K HN 0.105 nan 8.250 nan 0.000 0.439 564 R N -0.168 120.206 120.500 -0.209 0.000 2.115 564 R HA -0.027 4.317 4.340 0.006 0.000 0.226 564 R C 2.395 178.320 176.300 -0.625 0.000 1.100 564 R CA 0.954 56.879 56.100 -0.292 0.000 0.980 564 R CB -0.257 29.941 30.300 -0.170 0.000 0.875 564 R HN 0.226 nan 8.270 nan 0.000 0.445 565 A N 1.667 123.997 122.820 -0.817 0.000 1.902 565 A HA -0.199 4.125 4.320 0.006 0.000 0.217 565 A C 1.499 178.874 177.584 -0.349 0.000 1.181 565 A CA 1.812 53.319 52.037 -0.885 0.000 0.623 565 A CB -0.338 18.373 19.000 -0.482 0.000 0.818 565 A HN 0.154 nan 8.150 nan 0.000 0.443 566 D N 0.213 120.470 120.400 -0.239 0.000 2.097 566 D HA -0.112 4.532 4.640 0.006 0.000 0.197 566 D C 1.414 177.641 176.300 -0.122 0.000 0.984 566 D CA 1.368 55.280 54.000 -0.146 0.000 0.826 566 D CB -0.553 40.174 40.800 -0.122 0.000 0.973 566 D HN 0.350 nan 8.370 nan 0.000 0.460 567 D N 0.685 121.001 120.400 -0.139 0.000 2.133 567 D HA -0.172 4.472 4.640 0.006 0.000 0.192 567 D C 1.985 178.234 176.300 -0.085 0.000 1.001 567 D CA 1.642 55.578 54.000 -0.106 0.000 0.844 567 D CB -0.380 40.356 40.800 -0.107 0.000 0.944 567 D HN 0.180 nan 8.370 nan 0.000 0.447 568 A N 0.560 123.331 122.820 -0.081 0.000 1.877 568 A HA -0.208 4.116 4.320 0.006 0.000 0.216 568 A C 2.085 179.762 177.584 0.154 0.000 1.186 568 A CA 1.940 53.997 52.037 0.034 0.000 0.620 568 A CB -0.515 18.582 19.000 0.162 0.000 0.822 568 A HN 0.207 nan 8.150 nan 0.000 0.443 569 K N -0.405 120.096 120.400 0.168 0.000 2.057 569 K HA -0.196 4.128 4.320 0.006 0.000 0.207 569 K C 1.546 178.217 176.600 0.118 0.000 1.049 569 K CA 1.650 58.074 56.287 0.227 0.000 0.931 569 K CB -0.215 32.220 32.500 -0.107 0.000 0.714 569 K HN 0.382 nan 8.250 nan 0.000 0.440 570 N N 1.064 119.758 118.700 -0.011 0.000 2.364 570 N HA -0.117 4.626 4.740 0.006 0.000 0.183 570 N C 1.521 176.992 175.510 -0.065 0.000 1.022 570 N CA 0.896 53.924 53.050 -0.036 0.000 0.883 570 N CB -0.156 38.297 38.487 -0.057 0.000 0.965 570 N HN 0.300 nan 8.380 nan 0.000 0.438 571 I N -0.619 119.842 120.570 -0.181 0.000 2.264 571 I HA -0.273 3.900 4.170 0.006 0.000 0.248 571 I C 0.856 176.758 176.117 -0.359 0.000 1.111 571 I CA 1.282 62.352 61.300 -0.384 0.000 1.382 571 I CB -0.212 37.343 38.000 -0.742 0.000 1.060 571 I HN 0.045 nan 8.210 nan 0.000 0.418 572 F N 0.513 120.574 119.950 0.184 0.000 2.717 572 F HA 0.386 4.917 4.527 0.006 0.000 0.297 572 F C 1.462 177.377 175.800 0.191 0.000 1.113 572 F CA -0.412 57.728 58.000 0.233 0.000 1.319 572 F CB -0.505 38.697 39.000 0.338 0.000 1.097 572 F HN -0.202 nan 8.300 nan 0.000 0.595 573 A N 0.394 123.358 122.820 0.239 0.000 2.477 573 A HA 0.151 4.475 4.320 0.006 0.000 0.246 573 A C -0.732 176.944 177.584 0.153 0.000 1.078 573 A CA 0.134 52.257 52.037 0.143 0.000 0.770 573 A CB -0.583 18.427 19.000 0.016 0.000 1.011 573 A HN 0.483 nan 8.150 nan 0.000 0.494 574 H N 3.797 122.907 119.070 0.066 0.000 2.511 574 H HA 0.488 5.047 4.556 0.006 0.000 0.328 574 H C -2.401 172.917 175.328 -0.016 0.000 1.044 574 H CA -1.744 54.316 56.048 0.021 0.000 1.212 574 H CB 1.298 31.078 29.762 0.029 0.000 1.428 574 H HN 0.460 nan 8.280 nan 0.000 0.483 575 P HA -0.029 nan 4.420 nan 0.000 0.265 575 P C -0.499 176.770 177.300 -0.051 0.000 1.193 575 P CA 0.217 63.216 63.100 -0.168 0.000 0.765 575 P CB 0.562 32.122 31.700 -0.233 0.000 0.823 576 D N 1.032 121.445 120.400 0.022 0.000 2.792 576 D HA -0.165 4.479 4.640 0.006 0.000 0.231 576 D C 0.666 177.061 176.300 0.159 0.000 1.160 576 D CA 2.005 56.052 54.000 0.077 0.000 0.697 576 D CB -1.848 38.993 40.800 0.068 0.000 1.070 576 D HN 0.727 nan 8.370 nan 0.000 0.426 577 G N -0.118 108.803 108.800 0.203 0.000 4.220 577 G HA2 0.225 4.189 3.960 0.006 0.000 0.256 577 G HA3 0.225 4.189 3.960 0.006 0.000 0.256 577 G C 0.459 175.464 174.900 0.176 0.000 1.520 577 G CA -0.491 44.746 45.100 0.228 0.000 0.608 577 G HN -0.113 nan 8.290 nan 0.000 0.415 578 D N 0.372 120.841 120.400 0.115 0.000 2.190 578 D HA -0.129 4.514 4.640 0.006 0.000 0.200 578 D C 1.826 178.127 176.300 0.002 0.000 0.992 578 D CA 1.066 55.080 54.000 0.024 0.000 0.854 578 D CB 0.134 40.891 40.800 -0.073 0.000 0.936 578 D HN 0.580 nan 8.370 nan 0.000 0.462 579 H N -0.096 118.980 119.070 0.009 0.000 2.389 579 H HA -0.049 4.511 4.556 0.006 0.000 0.299 579 H C 2.095 177.439 175.328 0.026 0.000 1.081 579 H CA 0.534 56.576 56.048 -0.011 0.000 1.345 579 H CB 0.299 30.022 29.762 -0.064 0.000 1.393 579 H HN 0.146 nan 8.280 nan 0.000 0.520 580 I N 0.906 121.562 120.570 0.143 0.000 2.394 580 I HA -0.167 4.007 4.170 0.006 0.000 0.251 580 I C 2.297 178.531 176.117 0.195 0.000 1.136 580 I CA 0.863 62.227 61.300 0.107 0.000 1.425 580 I CB -1.275 36.630 38.000 -0.159 0.000 1.079 580 I HN 0.162 nan 8.210 nan 0.000 0.425 581 T N 2.068 116.746 114.554 0.207 0.000 2.665 581 T HA -0.170 4.184 4.350 0.006 0.000 0.268 581 T C 2.158 177.032 174.700 0.291 0.000 1.035 581 T CA 1.292 63.554 62.100 0.270 0.000 1.151 581 T CB -0.418 68.566 68.868 0.194 0.000 0.862 581 T HN 0.258 nan 8.240 nan 0.000 0.438 582 L N 0.275 121.622 121.223 0.208 0.000 2.042 582 L HA -0.117 4.227 4.340 0.006 0.000 0.210 582 L C 2.506 179.481 176.870 0.175 0.000 1.076 582 L CA 0.951 55.887 54.840 0.159 0.000 0.749 582 L CB -0.691 41.408 42.059 0.067 0.000 0.893 582 L HN 0.235 nan 8.230 nan 0.000 0.432 583 L N 0.311 121.649 121.223 0.192 0.000 2.017 583 L HA -0.203 4.141 4.340 0.006 0.000 0.208 583 L C 2.304 179.361 176.870 0.311 0.000 1.073 583 L CA 1.818 56.797 54.840 0.232 0.000 0.745 583 L CB -0.824 41.358 42.059 0.205 0.000 0.894 583 L HN 0.233 nan 8.230 nan 0.000 0.432 584 N N -0.277 118.620 118.700 0.328 0.000 2.043 584 N HA -0.168 4.575 4.740 0.006 0.000 0.193 584 N C 1.886 177.611 175.510 0.359 0.000 1.037 584 N CA 1.978 55.265 53.050 0.396 0.000 0.851 584 N CB -0.765 38.009 38.487 0.478 0.000 1.027 584 N HN 0.326 nan 8.380 nan 0.000 0.422 585 V N 0.635 120.657 119.914 0.181 0.000 2.343 585 V HA -0.245 3.879 4.120 0.006 0.000 0.247 585 V C 2.092 178.186 176.094 0.000 0.000 1.051 585 V CA 1.537 63.707 62.300 -0.216 0.000 1.036 585 V CB -0.869 30.726 31.823 -0.380 0.000 0.654 585 V HN 0.273 nan 8.190 nan 0.000 0.451 586 Y N 0.839 121.150 120.300 0.018 0.000 2.181 586 Y HA -0.285 4.269 4.550 0.006 0.000 0.288 586 Y C 2.694 178.683 175.900 0.149 0.000 1.146 586 Y CA 2.238 60.379 58.100 0.067 0.000 1.164 586 Y CB -0.512 37.973 38.460 0.042 0.000 0.982 586 Y HN 0.411 nan 8.280 nan 0.000 0.515 587 H N -0.161 118.975 119.070 0.111 0.000 2.352 587 H HA -0.137 4.423 4.556 0.006 0.000 0.299 587 H C 2.170 177.455 175.328 -0.072 0.000 1.097 587 H CA 1.847 57.905 56.048 0.018 0.000 1.311 587 H CB -0.307 29.538 29.762 0.138 0.000 1.377 587 H HN 0.425 nan 8.280 nan 0.000 0.504 588 A N -0.032 122.847 122.820 0.099 0.000 1.898 588 A HA -0.136 4.188 4.320 0.006 0.000 0.216 588 A C 2.286 179.634 177.584 -0.393 0.000 1.181 588 A CA 1.266 53.328 52.037 0.041 0.000 0.620 588 A CB -1.186 18.131 19.000 0.528 0.000 0.819 588 A HN 0.590 nan 8.150 nan 0.000 0.442 589 F N 0.669 120.338 119.950 -0.468 0.000 2.202 589 F HA -0.147 4.384 4.527 0.006 0.000 0.301 589 F C 1.685 177.084 175.800 -0.668 0.000 1.082 589 F CA 1.885 59.501 58.000 -0.640 0.000 1.313 589 F CB 0.157 38.947 39.000 -0.351 0.000 1.024 589 F HN 0.021 nan 8.300 nan 0.000 0.495 590 K N 0.896 120.863 120.400 -0.722 0.000 2.404 590 K HA 0.105 4.429 4.320 0.006 0.000 0.194 590 K C 0.903 177.147 176.600 -0.593 0.000 1.023 590 K CA 0.636 56.489 56.287 -0.723 0.000 1.094 590 K CB -0.644 31.456 32.500 -0.666 0.000 0.841 590 K HN 0.377 nan 8.250 nan 0.000 0.523 591 S N 0.624 115.972 115.700 -0.587 0.000 2.584 591 S HA 0.040 4.513 4.470 0.006 0.000 0.270 591 S C 0.633 175.025 174.600 -0.346 0.000 1.346 591 S CA -0.232 57.706 58.200 -0.437 0.000 1.018 591 S CB 1.005 63.998 63.200 -0.344 0.000 0.899 591 S HN 0.071 nan 8.310 nan 0.000 0.542 592 D N 0.642 120.911 120.400 -0.219 0.000 2.144 592 D HA -0.096 4.548 4.640 0.006 0.000 0.200 592 D C 1.878 178.148 176.300 -0.049 0.000 0.978 592 D CA 1.488 55.421 54.000 -0.112 0.000 0.833 592 D CB -0.108 40.647 40.800 -0.075 0.000 0.961 592 D HN 0.869 nan 8.370 nan 0.000 0.470 593 E N 0.825 120.976 120.200 -0.081 0.000 2.038 593 E HA -0.279 4.074 4.350 0.006 0.000 0.195 593 E C 2.056 178.596 176.600 -0.101 0.000 1.000 593 E CA 1.308 57.696 56.400 -0.019 0.000 0.803 593 E CB -0.115 29.605 29.700 0.034 0.000 0.750 593 E HN 0.237 nan 8.360 nan 0.000 0.448 594 A N 0.455 122.988 122.820 -0.478 0.000 1.883 594 A HA -0.236 4.088 4.320 0.006 0.000 0.217 594 A C 2.147 179.487 177.584 -0.407 0.000 1.186 594 A CA 1.760 53.188 52.037 -1.015 0.000 0.624 594 A CB -1.171 16.724 19.000 -1.841 0.000 0.822 594 A HN 0.664 nan 8.150 nan 0.000 0.444 595 Y N 0.406 120.467 120.300 -0.399 0.000 2.181 595 Y HA -0.177 4.376 4.550 0.006 0.000 0.288 595 Y C 2.279 178.125 175.900 -0.090 0.000 1.146 595 Y CA 2.298 60.254 58.100 -0.240 0.000 1.164 595 Y CB -0.301 38.013 38.460 -0.244 0.000 0.982 595 Y HN 0.362 nan 8.280 nan 0.000 0.515 596 E N -0.368 119.803 120.200 -0.049 0.000 2.077 596 E HA -0.269 4.085 4.350 0.006 0.000 0.193 596 E C 2.032 178.601 176.600 -0.051 0.000 0.989 596 E CA 1.750 58.105 56.400 -0.075 0.000 0.800 596 E CB -0.786 28.948 29.700 0.057 0.000 0.746 596 E HN 0.710 nan 8.360 nan 0.000 0.452 597 Y N -0.354 119.905 120.300 -0.068 0.000 2.333 597 Y HA -0.070 4.483 4.550 0.006 0.000 0.290 597 Y C 0.624 176.531 175.900 0.011 0.000 1.144 597 Y CA 1.265 59.390 58.100 0.041 0.000 1.228 597 Y CB 0.332 38.925 38.460 0.221 0.000 0.985 597 Y HN 0.102 nan 8.280 nan 0.000 0.542 598 G N 0.374 109.255 108.800 0.135 0.000 3.035 598 G HA2 -0.214 3.750 3.960 0.006 0.000 0.674 598 G HA3 -0.214 3.750 3.960 0.006 0.000 0.674 598 G C 0.071 175.093 174.900 0.203 0.000 1.159 598 G CA -0.150 45.001 45.100 0.086 0.000 1.098 598 G HN 0.371 nan 8.290 nan 0.000 0.473 599 I N 1.568 122.157 120.570 0.033 0.000 2.194 599 I HA -0.144 4.029 4.170 0.006 0.000 0.246 599 I C 2.284 178.475 176.117 0.124 0.000 1.093 599 I CA 2.638 63.952 61.300 0.024 0.000 1.355 599 I CB -0.338 37.588 38.000 -0.122 0.000 1.046 599 I HN 0.713 nan 8.210 nan 0.000 0.413 600 H N -0.203 118.900 119.070 0.054 0.000 2.357 600 H HA -0.136 4.424 4.556 0.006 0.000 0.301 600 H C 2.259 177.661 175.328 0.123 0.000 1.082 600 H CA 1.942 57.979 56.048 -0.018 0.000 1.342 600 H CB -0.156 29.498 29.762 -0.179 0.000 1.389 600 H HN 0.277 nan 8.280 nan 0.000 0.511 601 K N -0.129 120.447 120.400 0.294 0.000 2.097 601 K HA -0.195 4.129 4.320 0.006 0.000 0.205 601 K C 1.967 178.794 176.600 0.379 0.000 1.050 601 K CA 1.220 57.690 56.287 0.305 0.000 0.938 601 K CB -0.182 32.505 32.500 0.313 0.000 0.718 601 K HN 0.339 nan 8.250 nan 0.000 0.442 602 W N 1.098 122.519 121.300 0.201 0.000 2.335 602 W HA -0.301 4.363 4.660 0.006 0.000 0.311 602 W C 2.018 178.584 176.519 0.078 0.000 1.213 602 W CA 1.663 58.954 57.345 -0.090 0.000 1.274 602 W CB -0.498 28.828 29.460 -0.224 0.000 1.148 602 W HN 0.124 nan 8.180 nan 0.000 0.498 603 C N 0.052 119.566 119.300 0.357 0.000 2.432 603 C HA -0.126 4.338 4.460 0.006 0.000 0.277 603 C C 2.701 177.718 174.990 0.045 0.000 1.249 603 C CA 1.174 60.320 59.018 0.214 0.000 1.725 603 C CB -1.470 26.498 27.740 0.380 0.000 2.028 603 C HN 0.335 nan 8.230 nan 0.000 0.477 604 R N 0.896 121.433 120.500 0.061 0.000 2.080 604 R HA -0.145 4.198 4.340 0.006 0.000 0.236 604 R C 1.673 177.843 176.300 -0.217 0.000 1.137 604 R CA 1.885 57.951 56.100 -0.056 0.000 0.943 604 R CB -0.449 29.848 30.300 -0.004 0.000 0.846 604 R HN 0.537 nan 8.270 nan 0.000 0.431 605 D N -0.764 119.553 120.400 -0.137 0.000 2.264 605 D HA -0.096 4.548 4.640 0.006 0.000 0.208 605 D C 1.010 177.113 176.300 -0.329 0.000 0.966 605 D CA 1.268 55.133 54.000 -0.223 0.000 0.864 605 D CB -0.089 40.662 40.800 -0.081 0.000 0.933 605 D HN 0.375 nan 8.370 nan 0.000 0.499 606 H N -1.484 117.389 119.070 -0.328 0.000 2.529 606 H HA 0.144 4.704 4.556 0.006 0.000 0.277 606 H C -0.393 175.014 175.328 0.132 0.000 1.004 606 H CA -0.210 55.731 56.048 -0.179 0.000 1.167 606 H CB -0.313 29.098 29.762 -0.585 0.000 1.445 606 H HN 0.007 nan 8.280 nan 0.000 0.554 607 Y N -0.658 119.656 120.300 0.024 0.000 3.234 607 Y HA -0.196 4.358 4.550 0.007 0.000 0.207 607 Y C -0.845 175.085 175.900 0.051 0.000 1.316 607 Y CA -0.272 57.861 58.100 0.056 0.000 1.309 607 Y CB -1.655 36.855 38.460 0.084 0.000 1.408 607 Y HN 0.107 nan 8.280 nan 0.000 0.544 608 L N 0.802 122.063 121.223 0.063 0.000 2.365 608 L HA 0.427 4.771 4.340 0.006 0.000 0.273 608 L C 0.061 176.926 176.870 -0.008 0.000 1.000 608 L CA -1.315 53.498 54.840 -0.043 0.000 0.819 608 L CB 1.534 43.531 42.059 -0.104 0.000 1.284 608 L HN 0.244 nan 8.230 nan 0.000 0.418 609 N N 1.616 120.277 118.700 -0.066 0.000 2.402 609 N HA -0.062 4.681 4.740 0.006 0.000 0.252 609 N C 0.772 176.272 175.510 -0.018 0.000 1.118 609 N CA 0.129 53.172 53.050 -0.011 0.000 0.945 609 N CB 0.329 38.789 38.487 -0.045 0.000 1.147 609 N HN 0.613 nan 8.380 nan 0.000 0.495 610 Y N 4.840 125.144 120.300 0.007 0.000 2.207 610 Y HA -0.179 4.374 4.550 0.006 0.000 0.287 610 Y C 2.402 178.304 175.900 0.004 0.000 1.156 610 Y CA 1.757 59.876 58.100 0.033 0.000 1.182 610 Y CB 0.089 38.645 38.460 0.160 0.000 0.979 610 Y HN 0.591 nan 8.280 nan 0.000 0.521 611 R N -0.437 120.125 120.500 0.103 0.000 2.081 611 R HA -0.145 4.199 4.340 0.006 0.000 0.235 611 R C 2.251 178.487 176.300 -0.106 0.000 1.131 611 R CA 1.791 57.919 56.100 0.047 0.000 0.960 611 R CB -0.347 30.052 30.300 0.165 0.000 0.856 611 R HN 0.319 nan 8.270 nan 0.000 0.436 612 S N 0.717 116.337 115.700 -0.134 0.000 2.371 612 S HA -0.039 4.434 4.470 0.006 0.000 0.224 612 S C 1.852 176.276 174.600 -0.293 0.000 1.029 612 S CA 0.844 58.943 58.200 -0.169 0.000 0.978 612 S CB -0.078 63.031 63.200 -0.152 0.000 0.833 612 S HN 0.262 nan 8.310 nan 0.000 0.466 613 L N 0.756 121.686 121.223 -0.489 0.000 2.093 613 L HA -0.064 4.279 4.340 0.006 0.000 0.208 613 L C 2.683 179.139 176.870 -0.690 0.000 1.085 613 L CA 0.975 55.330 54.840 -0.809 0.000 0.755 613 L CB -0.458 40.669 42.059 -1.553 0.000 0.904 613 L HN 0.292 nan 8.230 nan 0.000 0.435 614 S N -0.547 114.784 115.700 -0.615 0.000 2.368 614 S HA -0.153 4.320 4.470 0.006 0.000 0.224 614 S C 2.118 176.640 174.600 -0.129 0.000 1.029 614 S CA 1.200 59.213 58.200 -0.313 0.000 0.988 614 S CB -0.076 62.851 63.200 -0.455 0.000 0.838 614 S HN 0.454 nan 8.310 nan 0.000 0.462 615 A N 1.086 123.823 122.820 -0.138 0.000 1.933 615 A HA 0.178 4.502 4.320 0.006 0.000 0.218 615 A C 2.361 179.879 177.584 -0.110 0.000 1.175 615 A CA 1.763 53.756 52.037 -0.072 0.000 0.628 615 A CB -1.131 17.843 19.000 -0.043 0.000 0.814 615 A HN 0.658 nan 8.150 nan 0.000 0.444 616 A N -0.230 122.504 122.820 -0.144 0.000 1.930 616 A HA -0.153 4.171 4.320 0.006 0.000 0.217 616 A C 1.859 179.376 177.584 -0.112 0.000 1.175 616 A CA 1.993 53.932 52.037 -0.162 0.000 0.627 616 A CB -0.570 18.326 19.000 -0.174 0.000 0.815 616 A HN 0.488 nan 8.150 nan 0.000 0.443 617 D N 0.054 120.480 120.400 0.043 0.000 2.092 617 D HA -0.198 4.445 4.640 0.006 0.000 0.193 617 D C 1.826 178.156 176.300 0.049 0.000 0.994 617 D CA 1.700 55.813 54.000 0.189 0.000 0.828 617 D CB -0.322 40.644 40.800 0.278 0.000 0.963 617 D HN 0.491 nan 8.370 nan 0.000 0.450 618 N N -0.241 118.462 118.700 0.005 0.000 2.084 618 N HA -0.119 4.625 4.740 0.006 0.000 0.190 618 N C 1.970 177.413 175.510 -0.112 0.000 1.030 618 N CA 1.409 54.452 53.050 -0.011 0.000 0.849 618 N CB -0.329 38.172 38.487 0.022 0.000 1.012 618 N HN 0.254 nan 8.380 nan 0.000 0.423 619 I N 0.079 120.487 120.570 -0.269 0.000 2.208 619 I HA -0.264 3.909 4.170 0.006 0.000 0.245 619 I C 2.682 178.589 176.117 -0.349 0.000 1.097 619 I CA 0.971 61.912 61.300 -0.599 0.000 1.363 619 I CB -0.344 37.208 38.000 -0.747 0.000 1.051 619 I HN 0.255 nan 8.210 nan 0.000 0.413 620 R N 0.584 120.951 120.500 -0.223 0.000 2.091 620 R HA -0.179 4.165 4.340 0.006 0.000 0.238 620 R C 2.487 178.761 176.300 -0.043 0.000 1.136 620 R CA 1.964 57.979 56.100 -0.141 0.000 0.959 620 R CB -0.137 30.051 30.300 -0.187 0.000 0.856 620 R HN 0.226 nan 8.270 nan 0.000 0.437 621 S N 0.404 116.093 115.700 -0.018 0.000 2.359 621 S HA -0.152 4.322 4.470 0.006 0.000 0.224 621 S C 1.820 176.446 174.600 0.044 0.000 1.035 621 S CA 1.213 59.428 58.200 0.026 0.000 1.018 621 S CB -0.132 63.090 63.200 0.037 0.000 0.876 621 S HN 0.368 nan 8.310 nan 0.000 0.448 622 Q N 0.417 120.243 119.800 0.044 0.000 2.084 622 Q HA 0.016 4.360 4.340 0.006 0.000 0.202 622 Q C 2.151 178.247 176.000 0.161 0.000 0.978 622 Q CA 0.874 56.754 55.803 0.128 0.000 0.844 622 Q CB -0.707 28.184 28.738 0.255 0.000 0.898 622 Q HN 0.355 nan 8.270 nan 0.000 0.426 623 L N 1.149 122.458 121.223 0.142 0.000 2.093 623 L HA -0.136 4.208 4.340 0.006 0.000 0.208 623 L C 2.305 179.312 176.870 0.228 0.000 1.085 623 L CA 1.631 56.618 54.840 0.246 0.000 0.755 623 L CB -0.940 41.232 42.059 0.188 0.000 0.904 623 L HN 0.336 nan 8.230 nan 0.000 0.435 624 E N -0.505 119.774 120.200 0.132 0.000 2.077 624 E HA -0.240 4.114 4.350 0.006 0.000 0.193 624 E C 2.331 178.990 176.600 0.097 0.000 0.989 624 E CA 1.068 57.534 56.400 0.110 0.000 0.800 624 E CB 0.083 29.824 29.700 0.069 0.000 0.746 624 E HN 0.365 nan 8.360 nan 0.000 0.452 625 R N 0.105 120.650 120.500 0.076 0.000 2.091 625 R HA -0.117 4.227 4.340 0.006 0.000 0.238 625 R C 2.591 178.901 176.300 0.016 0.000 1.136 625 R CA 1.442 57.563 56.100 0.035 0.000 0.959 625 R CB -0.313 30.005 30.300 0.030 0.000 0.856 625 R HN 0.256 nan 8.270 nan 0.000 0.437 626 L N 0.045 121.300 121.223 0.054 0.000 2.042 626 L HA -0.221 4.123 4.340 0.006 0.000 0.210 626 L C 2.512 179.457 176.870 0.125 0.000 1.076 626 L CA 1.428 56.268 54.840 0.001 0.000 0.749 626 L CB -0.356 41.611 42.059 -0.155 0.000 0.893 626 L HN 0.278 nan 8.230 nan 0.000 0.432 627 M N -0.629 119.122 119.600 0.252 0.000 2.117 627 M HA -0.177 4.306 4.480 0.006 0.000 0.262 627 M C 1.972 178.356 176.300 0.140 0.000 1.065 627 M CA 1.512 56.989 55.300 0.295 0.000 1.114 627 M CB -0.481 32.283 32.600 0.272 0.000 1.361 627 M HN 0.258 nan 8.290 nan 0.000 0.408 628 N N 0.230 118.965 118.700 0.058 0.000 2.120 628 N HA -0.143 4.601 4.740 0.006 0.000 0.188 628 N C 1.647 177.116 175.510 -0.069 0.000 1.024 628 N CA 1.142 54.188 53.050 -0.007 0.000 0.852 628 N CB -0.466 38.009 38.487 -0.020 0.000 1.003 628 N HN 0.343 nan 8.380 nan 0.000 0.424 629 R N -0.382 120.026 120.500 -0.154 0.000 2.096 629 R HA -0.088 4.256 4.340 0.006 0.000 0.235 629 R C 0.623 176.641 176.300 -0.470 0.000 1.127 629 R CA 1.265 57.140 56.100 -0.376 0.000 0.968 629 R CB -0.073 29.875 30.300 -0.587 0.000 0.861 629 R HN 0.249 nan 8.270 nan 0.000 0.440 630 Y N 0.125 120.435 120.300 0.016 0.000 2.607 630 Y HA 0.297 4.851 4.550 0.006 0.000 0.266 630 Y C -0.316 175.625 175.900 0.068 0.000 1.178 630 Y CA -0.342 57.785 58.100 0.045 0.000 1.226 630 Y CB -0.110 38.386 38.460 0.061 0.000 1.144 630 Y HN 0.169 nan 8.280 nan 0.000 0.528 631 N N 0.295 119.062 118.700 0.112 0.000 2.758 631 N HA -0.196 4.548 4.740 0.006 0.000 0.248 631 N C -1.328 174.206 175.510 0.040 0.000 1.076 631 N CA 0.156 53.236 53.050 0.050 0.000 0.696 631 N CB -1.422 37.092 38.487 0.044 0.000 0.979 631 N HN 0.255 nan 8.380 nan 0.000 0.550 632 L N 0.956 122.240 121.223 0.102 0.000 2.270 632 L HA 0.220 4.564 4.340 0.006 0.000 0.286 632 L C 0.962 177.799 176.870 -0.056 0.000 1.059 632 L CA -0.369 54.525 54.840 0.090 0.000 0.839 632 L CB 0.797 43.038 42.059 0.303 0.000 1.221 632 L HN 0.259 nan 8.230 nan 0.000 0.431 633 E N 3.597 123.569 120.200 -0.380 0.000 2.467 633 E HA 0.028 4.382 4.350 0.006 0.000 0.264 633 E C -0.834 175.723 176.600 -0.072 0.000 1.020 633 E CA -0.203 56.026 56.400 -0.285 0.000 0.945 633 E CB 0.716 30.127 29.700 -0.482 0.000 0.942 633 E HN 0.486 nan 8.360 nan 0.000 0.449 634 L N 4.873 126.084 121.223 -0.019 0.000 2.268 634 L HA 0.277 4.621 4.340 0.006 0.000 0.289 634 L C -0.021 176.877 176.870 0.047 0.000 1.064 634 L CA -0.518 54.346 54.840 0.041 0.000 0.824 634 L CB 0.668 42.751 42.059 0.040 0.000 1.202 634 L HN 0.480 nan 8.230 nan 0.000 0.433 635 N N 1.385 120.136 118.700 0.085 0.000 2.384 635 N HA 0.609 5.353 4.740 0.006 0.000 0.301 635 N C -0.703 174.855 175.510 0.080 0.000 1.133 635 N CA -0.271 52.831 53.050 0.088 0.000 0.853 635 N CB 2.330 40.900 38.487 0.137 0.000 1.241 635 N HN 0.392 nan 8.380 nan 0.000 0.502 636 T N -1.151 113.448 114.554 0.075 0.000 2.840 636 T HA 0.575 4.929 4.350 0.006 0.000 0.317 636 T C -1.334 173.418 174.700 0.087 0.000 1.401 636 T CA -0.526 61.625 62.100 0.084 0.000 1.028 636 T CB 0.751 69.682 68.868 0.105 0.000 1.317 636 T HN 0.593 nan 8.240 nan 0.000 0.495 637 T N 0.219 114.845 114.554 0.120 0.000 2.924 637 T HA 0.598 4.952 4.350 0.006 0.000 0.291 637 T C -0.560 174.246 174.700 0.177 0.000 1.045 637 T CA -0.745 61.429 62.100 0.124 0.000 1.015 637 T CB 1.612 70.536 68.868 0.095 0.000 1.103 637 T HN 0.538 nan 8.240 nan 0.000 0.496 638 D N 0.558 121.020 120.400 0.104 0.000 2.487 638 D HA -0.034 4.610 4.640 0.006 0.000 0.243 638 D C 0.713 177.011 176.300 -0.003 0.000 1.154 638 D CA 0.023 54.059 54.000 0.060 0.000 0.876 638 D CB 0.259 41.082 40.800 0.038 0.000 1.161 638 D HN 0.653 nan 8.370 nan 0.000 0.478 639 Y N 3.476 123.589 120.300 -0.311 0.000 2.384 639 Y HA -0.184 4.369 4.550 0.006 0.000 0.289 639 Y C 1.566 177.220 175.900 -0.410 0.000 1.152 639 Y CA 1.453 59.094 58.100 -0.766 0.000 1.258 639 Y CB 0.364 38.414 38.460 -0.683 0.000 0.979 639 Y HN 0.471 nan 8.280 nan 0.000 0.549 640 E N -0.070 120.088 120.200 -0.070 0.000 2.427 640 E HA -0.051 4.303 4.350 0.006 0.000 0.196 640 E C 0.902 177.468 176.600 -0.056 0.000 1.028 640 E CA 0.475 56.856 56.400 -0.033 0.000 0.864 640 E CB -0.260 29.462 29.700 0.038 0.000 0.813 640 E HN 0.217 nan 8.360 nan 0.000 0.514 641 S N 2.266 117.932 115.700 -0.055 0.000 2.562 641 S HA 0.051 4.524 4.470 0.006 0.000 0.281 641 S C -1.396 173.207 174.600 0.006 0.000 1.333 641 S CA -1.247 56.952 58.200 -0.002 0.000 1.052 641 S CB 0.884 64.103 63.200 0.033 0.000 0.884 641 S HN -0.092 nan 8.310 nan 0.000 0.506 642 P HA -0.013 nan 4.420 nan 0.000 0.230 642 P C 0.329 177.684 177.300 0.092 0.000 1.158 642 P CA 0.950 64.092 63.100 0.070 0.000 0.769 642 P CB 0.126 31.866 31.700 0.067 0.000 0.807 643 K N -1.994 118.444 120.400 0.064 0.000 2.374 643 K HA -0.003 4.321 4.320 0.006 0.000 0.196 643 K C 1.797 178.400 176.600 0.006 0.000 1.023 643 K CA -0.209 56.104 56.287 0.043 0.000 1.103 643 K CB -0.249 32.261 32.500 0.016 0.000 0.848 643 K HN 0.001 nan 8.250 nan 0.000 0.528 644 Y N 1.054 121.263 120.300 -0.151 0.000 1.979 644 Y HA -0.340 4.214 4.550 0.006 0.000 0.262 644 Y C 1.618 177.342 175.900 -0.292 0.000 1.142 644 Y CA 1.910 59.824 58.100 -0.310 0.000 1.096 644 Y CB -0.387 37.726 38.460 -0.578 0.000 0.958 644 Y HN -0.070 nan 8.280 nan 0.000 0.484 645 F N 0.774 120.715 119.950 -0.015 0.000 2.269 645 F HA -0.186 4.345 4.527 0.006 0.000 0.301 645 F C 2.146 177.873 175.800 -0.121 0.000 1.082 645 F CA 1.552 59.495 58.000 -0.095 0.000 1.360 645 F CB -0.825 38.214 39.000 0.064 0.000 1.041 645 F HN 0.159 nan 8.300 nan 0.000 0.512 646 D N 0.207 120.648 120.400 0.067 0.000 2.092 646 D HA -0.188 4.456 4.640 0.006 0.000 0.193 646 D C 1.836 177.918 176.300 -0.364 0.000 0.994 646 D CA 1.556 55.474 54.000 -0.135 0.000 0.828 646 D CB -0.808 39.942 40.800 -0.084 0.000 0.963 646 D HN 0.344 nan 8.370 nan 0.000 0.450 647 N N 0.088 118.629 118.700 -0.266 0.000 2.094 647 N HA -0.130 4.614 4.740 0.006 0.000 0.191 647 N C 1.971 177.280 175.510 -0.334 0.000 1.023 647 N CA 0.674 53.577 53.050 -0.245 0.000 0.857 647 N CB -0.068 38.324 38.487 -0.159 0.000 1.013 647 N HN 0.172 nan 8.380 nan 0.000 0.426 648 I N 0.863 121.240 120.570 -0.322 0.000 2.252 648 I HA -0.199 3.974 4.170 0.006 0.000 0.245 648 I C 2.289 178.237 176.117 -0.283 0.000 1.102 648 I CA 1.010 62.137 61.300 -0.289 0.000 1.385 648 I CB -0.119 37.732 38.000 -0.248 0.000 1.064 648 I HN 0.102 nan 8.210 nan 0.000 0.414 649 R N 0.710 121.069 120.500 -0.234 0.000 2.096 649 R HA -0.136 4.208 4.340 0.006 0.000 0.235 649 R C 2.260 178.373 176.300 -0.312 0.000 1.127 649 R CA 1.137 57.133 56.100 -0.174 0.000 0.968 649 R CB -0.160 30.168 30.300 0.047 0.000 0.861 649 R HN 0.349 nan 8.270 nan 0.000 0.440 650 K N 0.284 120.339 120.400 -0.575 0.000 2.025 650 K HA -0.037 4.287 4.320 0.006 0.000 0.207 650 K C 2.205 178.163 176.600 -1.069 0.000 1.049 650 K CA 1.236 57.067 56.287 -0.760 0.000 0.933 650 K CB -0.127 31.880 32.500 -0.821 0.000 0.714 650 K HN 0.115 nan 8.250 nan 0.000 0.438 651 A N 1.703 123.785 122.820 -1.231 0.000 1.908 651 A HA -0.184 4.140 4.320 0.006 0.000 0.218 651 A C 2.129 179.449 177.584 -0.439 0.000 1.181 651 A CA 1.261 52.694 52.037 -1.007 0.000 0.627 651 A CB -0.622 18.056 19.000 -0.535 0.000 0.818 651 A HN 0.243 nan 8.150 nan 0.000 0.445 652 L N -0.058 120.968 121.223 -0.327 0.000 1.990 652 L HA -0.168 4.176 4.340 0.006 0.000 0.213 652 L C 2.719 179.556 176.870 -0.056 0.000 1.072 652 L CA 2.480 57.210 54.840 -0.183 0.000 0.755 652 L CB -0.914 40.963 42.059 -0.304 0.000 0.889 652 L HN 0.369 nan 8.230 nan 0.000 0.432 653 A N -0.780 121.976 122.820 -0.105 0.000 1.917 653 A HA -0.284 4.040 4.320 0.006 0.000 0.219 653 A C 2.479 180.150 177.584 0.146 0.000 1.182 653 A CA 2.508 54.569 52.037 0.039 0.000 0.633 653 A CB -1.345 17.666 19.000 0.019 0.000 0.819 653 A HN 0.727 nan 8.150 nan 0.000 0.448 654 S N -0.873 114.833 115.700 0.010 0.000 2.419 654 S HA 0.004 4.478 4.470 0.006 0.000 0.235 654 S C 1.781 176.515 174.600 0.225 0.000 1.019 654 S CA 1.572 59.867 58.200 0.157 0.000 0.982 654 S CB -0.752 62.521 63.200 0.121 0.000 0.789 654 S HN 0.741 nan 8.310 nan 0.000 0.490 655 G N -0.609 108.227 108.800 0.060 0.000 2.673 655 G HA2 0.302 4.266 3.960 0.006 0.000 0.208 655 G HA3 0.302 4.266 3.960 0.006 0.000 0.208 655 G C 0.686 175.271 174.900 -0.525 0.000 1.128 655 G CA -0.168 44.823 45.100 -0.182 0.000 0.805 655 G HN 0.551 nan 8.290 nan 0.000 0.526 656 F N 1.307 121.124 119.950 -0.222 0.000 2.668 656 F HA 0.252 4.782 4.527 0.006 0.000 0.301 656 F C 1.500 177.128 175.800 -0.286 0.000 1.106 656 F CA -1.151 56.666 58.000 -0.306 0.000 1.289 656 F CB 0.066 38.929 39.000 -0.229 0.000 1.006 656 F HN 0.209 nan 8.300 nan 0.000 0.535 657 F N -1.692 118.269 119.950 0.017 0.000 2.449 657 F HA -0.120 4.410 4.527 0.006 0.000 0.299 657 F C 1.573 177.391 175.800 0.030 0.000 1.092 657 F CA 1.019 59.080 58.000 0.102 0.000 1.446 657 F CB -0.934 38.165 39.000 0.164 0.000 1.084 657 F HN 0.022 nan 8.300 nan 0.000 0.567 658 M N 0.079 119.331 119.600 -0.580 0.000 2.428 658 M HA 0.113 4.597 4.480 0.006 0.000 0.239 658 M C 0.108 176.296 176.300 -0.186 0.000 1.121 658 M CA 0.500 55.496 55.300 -0.506 0.000 1.019 658 M CB 0.155 32.258 32.600 -0.829 0.000 1.485 658 M HN 0.181 nan 8.290 nan 0.000 0.484 659 Q N 1.228 120.903 119.800 -0.209 0.000 2.815 659 Q HA 0.378 4.722 4.340 0.006 0.000 0.329 659 Q C -1.143 174.540 176.000 -0.529 0.000 1.037 659 Q CA -0.229 55.270 55.803 -0.507 0.000 1.002 659 Q CB 1.391 29.748 28.738 -0.633 0.000 1.274 659 Q HN 0.095 nan 8.270 nan 0.000 0.452 660 V N 0.575 120.557 119.914 0.113 0.000 2.680 660 V HA 0.823 4.947 4.120 0.006 0.000 0.309 660 V C -0.550 175.909 176.094 0.608 0.000 1.052 660 V CA -0.759 61.782 62.300 0.401 0.000 0.908 660 V CB 1.910 34.070 31.823 0.561 0.000 1.001 660 V HN 0.545 nan 8.190 nan 0.000 0.431 661 A N 3.934 127.086 122.820 0.553 0.000 2.386 661 A HA 0.835 5.159 4.320 0.006 0.000 0.311 661 A C -0.792 176.949 177.584 0.261 0.000 1.068 661 A CA -0.704 51.574 52.037 0.400 0.000 0.743 661 A CB 1.849 21.024 19.000 0.291 0.000 1.258 661 A HN 0.585 nan 8.150 nan 0.000 0.429 662 K N 1.637 122.027 120.400 -0.016 0.000 2.207 662 K HA 0.299 4.623 4.320 0.006 0.000 0.255 662 K C -0.480 175.837 176.600 -0.472 0.000 0.941 662 K CA -0.579 55.371 56.287 -0.562 0.000 0.825 662 K CB 1.438 33.148 32.500 -1.316 0.000 1.119 662 K HN 0.789 nan 8.250 nan 0.000 0.430 663 K N 3.913 123.868 120.400 -0.742 0.000 2.436 663 K HA 0.022 4.346 4.320 0.006 0.000 0.282 663 K C -0.089 176.107 176.600 -0.673 0.000 1.044 663 K CA -0.076 55.508 56.287 -1.172 0.000 1.028 663 K CB 0.511 32.495 32.500 -0.859 0.000 0.919 663 K HN 0.354 nan 8.250 nan 0.000 0.474 664 R N 3.022 123.171 120.500 -0.585 0.000 2.458 664 R HA -0.042 4.302 4.340 0.006 0.000 0.303 664 R C 0.956 177.093 176.300 -0.272 0.000 1.013 664 R CA 0.515 56.419 56.100 -0.326 0.000 1.026 664 R CB 0.561 30.721 30.300 -0.233 0.000 0.948 664 R HN 0.998 nan 8.270 nan 0.000 0.417 665 S N 2.461 118.039 115.700 -0.203 0.000 2.355 665 S HA -0.100 4.373 4.470 0.006 0.000 0.222 665 S C 1.791 176.323 174.600 -0.114 0.000 1.031 665 S CA 0.915 59.024 58.200 -0.152 0.000 0.993 665 S CB -0.042 63.091 63.200 -0.113 0.000 0.859 665 S HN 0.706 nan 8.310 nan 0.000 0.453 666 G N 0.808 109.550 108.800 -0.097 0.000 2.441 666 G HA2 0.384 4.347 3.960 0.006 0.000 0.212 666 G HA3 0.384 4.347 3.960 0.006 0.000 0.212 666 G C 1.394 176.252 174.900 -0.071 0.000 1.164 666 G CA 0.339 45.396 45.100 -0.071 0.000 0.811 666 G HN 0.721 nan 8.290 nan 0.000 0.535 667 A N -0.018 122.752 122.820 -0.083 0.000 2.251 667 A HA 0.368 4.692 4.320 0.006 0.000 0.209 667 A C 1.313 178.848 177.584 -0.083 0.000 1.187 667 A CA 0.728 52.721 52.037 -0.073 0.000 0.823 667 A CB -0.319 18.640 19.000 -0.069 0.000 0.846 667 A HN 0.333 nan 8.150 nan 0.000 0.486 668 K N -1.214 119.119 120.400 -0.110 0.000 2.975 668 K HA -0.214 4.110 4.320 0.006 0.000 0.257 668 K C 0.730 177.267 176.600 -0.104 0.000 1.005 668 K CA 0.411 56.629 56.287 -0.116 0.000 0.738 668 K CB -1.805 30.655 32.500 -0.067 0.000 1.236 668 K HN 0.691 nan 8.250 nan 0.000 0.483 669 G N -0.803 107.917 108.800 -0.133 0.000 3.122 669 G HA2 0.641 4.605 3.960 0.006 0.000 0.180 669 G HA3 0.641 4.605 3.960 0.006 0.000 0.180 669 G C -1.300 173.492 174.900 -0.179 0.000 1.279 669 G CA -0.617 44.446 45.100 -0.061 0.000 0.987 669 G HN 0.117 nan 8.290 nan 0.000 0.589 670 Y N -1.494 118.745 120.300 -0.102 0.000 2.545 670 Y HA 0.645 5.199 4.550 0.006 0.000 0.348 670 Y C -0.523 175.321 175.900 -0.093 0.000 1.002 670 Y CA -0.614 57.420 58.100 -0.110 0.000 1.039 670 Y CB 2.661 41.057 38.460 -0.107 0.000 1.271 670 Y HN 0.462 nan 8.280 nan 0.000 0.467 671 I N 1.893 122.495 120.570 0.052 0.000 2.545 671 I HA 0.469 4.642 4.170 0.006 0.000 0.292 671 I C -0.446 175.747 176.117 0.127 0.000 1.040 671 I CA -0.274 61.057 61.300 0.051 0.000 1.068 671 I CB 1.839 39.836 38.000 -0.005 0.000 1.251 671 I HN 0.658 nan 8.210 nan 0.000 0.424 672 T N 3.902 118.564 114.554 0.179 0.000 2.856 672 T HA 0.320 4.673 4.350 0.006 0.000 0.292 672 T C 1.264 176.141 174.700 0.295 0.000 0.980 672 T CA -0.603 61.675 62.100 0.296 0.000 1.091 672 T CB 1.410 70.500 68.868 0.370 0.000 0.936 672 T HN 0.405 nan 8.240 nan 0.000 0.503 673 V N 1.965 122.114 119.914 0.393 0.000 2.282 673 V HA -0.095 4.029 4.120 0.006 0.000 0.249 673 V C 1.571 177.792 176.094 0.210 0.000 1.057 673 V CA 1.870 64.416 62.300 0.410 0.000 1.032 673 V CB -0.715 31.452 31.823 0.573 0.000 0.645 673 V HN 1.006 nan 8.190 nan 0.000 0.447 674 K N 0.202 120.737 120.400 0.225 0.000 2.276 674 K HA 0.106 4.430 4.320 0.006 0.000 0.285 674 K C 0.135 176.788 176.600 0.088 0.000 1.062 674 K CA 0.102 56.463 56.287 0.124 0.000 0.918 674 K CB 0.665 33.267 32.500 0.168 0.000 1.055 674 K HN 0.295 nan 8.250 nan 0.000 0.477 675 D N 2.513 122.922 120.400 0.015 0.000 2.792 675 D HA -0.238 4.405 4.640 0.006 0.000 0.192 675 D C -0.785 175.533 176.300 0.029 0.000 1.007 675 D CA 1.111 55.114 54.000 0.005 0.000 1.020 675 D CB -1.129 39.664 40.800 -0.012 0.000 1.089 675 D HN 1.025 nan 8.370 nan 0.000 0.438 676 N N 0.410 119.150 118.700 0.066 0.000 2.696 676 N HA -0.245 4.499 4.740 0.006 0.000 0.256 676 N C -0.389 175.166 175.510 0.075 0.000 1.031 676 N CA 0.801 53.898 53.050 0.079 0.000 0.730 676 N CB -0.452 38.067 38.487 0.054 0.000 0.894 676 N HN 0.397 nan 8.380 nan 0.000 0.544 677 Q N 0.924 120.792 119.800 0.113 0.000 2.241 677 Q HA 0.279 4.623 4.340 0.006 0.000 0.254 677 Q C -0.881 175.175 176.000 0.094 0.000 0.917 677 Q CA -0.318 55.557 55.803 0.119 0.000 0.919 677 Q CB 0.935 29.807 28.738 0.223 0.000 1.237 677 Q HN 0.087 nan 8.270 nan 0.000 0.434 678 D N 1.961 122.390 120.400 0.048 0.000 2.308 678 D HA 0.347 4.991 4.640 0.006 0.000 0.251 678 D C -0.647 175.636 176.300 -0.029 0.000 1.127 678 D CA 0.080 54.083 54.000 0.006 0.000 0.876 678 D CB 0.830 41.619 40.800 -0.018 0.000 1.176 678 D HN 0.347 nan 8.370 nan 0.000 0.446 679 V N -0.804 119.073 119.914 -0.062 0.000 3.147 679 V HA 0.662 4.786 4.120 0.006 0.000 0.306 679 V C -1.231 174.789 176.094 -0.123 0.000 1.209 679 V CA -1.080 61.116 62.300 -0.174 0.000 1.023 679 V CB 1.698 33.332 31.823 -0.315 0.000 1.059 679 V HN 0.181 nan 8.190 nan 0.000 0.435 680 L N 2.826 123.930 121.223 -0.197 0.000 2.334 680 L HA 0.611 4.955 4.340 0.006 0.000 0.276 680 L C -0.033 176.826 176.870 -0.019 0.000 1.014 680 L CA -0.787 54.015 54.840 -0.064 0.000 0.815 680 L CB 1.505 43.521 42.059 -0.072 0.000 1.268 680 L HN 0.499 nan 8.230 nan 0.000 0.428 681 I N 2.454 122.999 120.570 -0.041 0.000 2.741 681 I HA -0.062 4.112 4.170 0.006 0.000 0.288 681 I C 0.939 177.092 176.117 0.059 0.000 1.192 681 I CA 0.308 61.558 61.300 -0.083 0.000 1.426 681 I CB -0.562 37.352 38.000 -0.145 0.000 1.367 681 I HN 0.588 nan 8.210 nan 0.000 0.563 682 H N 9.392 128.443 119.070 -0.030 0.000 3.064 682 H HA -0.012 4.548 4.556 0.006 0.000 0.329 682 H C -1.484 173.754 175.328 -0.149 0.000 1.020 682 H CA -0.705 55.271 56.048 -0.120 0.000 1.402 682 H CB 1.090 30.753 29.762 -0.165 0.000 1.379 682 H HN 0.321 nan 8.280 nan 0.000 0.594 683 P HA -0.181 nan 4.420 nan 0.000 0.219 683 P C 1.329 178.571 177.300 -0.097 0.000 1.144 683 P CA 1.887 64.814 63.100 -0.288 0.000 0.806 683 P CB 0.020 31.462 31.700 -0.429 0.000 0.771 684 S N -3.302 112.449 115.700 0.086 0.000 2.595 684 S HA 0.015 4.488 4.470 0.006 0.000 0.235 684 S C 0.633 175.220 174.600 -0.021 0.000 0.974 684 S CA 0.484 58.719 58.200 0.058 0.000 0.942 684 S CB -0.874 62.388 63.200 0.103 0.000 0.766 684 S HN 0.038 nan 8.310 nan 0.000 0.536 685 T N 1.685 116.227 114.554 -0.020 0.000 2.956 685 T HA 0.507 4.861 4.350 0.006 0.000 0.312 685 T C -0.891 173.789 174.700 -0.034 0.000 1.151 685 T CA -0.784 61.292 62.100 -0.040 0.000 1.024 685 T CB 2.030 70.875 68.868 -0.038 0.000 1.140 685 T HN 0.179 nan 8.240 nan 0.000 0.473 686 V N 2.491 122.385 119.914 -0.033 0.000 2.333 686 V HA 0.564 4.688 4.120 0.006 0.000 0.274 686 V C 0.386 176.476 176.094 -0.005 0.000 1.028 686 V CA -1.190 61.098 62.300 -0.020 0.000 0.851 686 V CB -0.092 31.718 31.823 -0.023 0.000 1.000 686 V HN 0.851 nan 8.190 nan 0.000 0.456 687 L N 3.182 124.410 121.223 0.009 0.000 2.453 687 L HA 0.783 5.126 4.340 0.006 0.000 0.272 687 L C 0.738 177.637 176.870 0.047 0.000 1.182 687 L CA 0.253 55.112 54.840 0.033 0.000 0.858 687 L CB -0.181 41.922 42.059 0.073 0.000 1.120 687 L HN 0.694 nan 8.230 nan 0.000 0.474 688 G N -0.138 108.693 108.800 0.052 0.000 2.502 688 G HA2 0.219 4.183 3.960 0.006 0.000 0.305 688 G HA3 0.219 4.183 3.960 0.006 0.000 0.305 688 G C 0.248 175.203 174.900 0.092 0.000 1.190 688 G CA -0.322 44.817 45.100 0.065 0.000 0.933 688 G HN 0.944 nan 8.290 nan 0.000 0.503 689 H N -0.797 118.285 119.070 0.019 0.000 2.389 689 H HA -0.047 4.513 4.556 0.006 0.000 0.299 689 H C 1.343 176.685 175.328 0.024 0.000 1.081 689 H CA 1.936 57.994 56.048 0.017 0.000 1.345 689 H CB 0.393 30.158 29.762 0.004 0.000 1.393 689 H HN 0.412 nan 8.280 nan 0.000 0.520 690 D N 0.109 120.564 120.400 0.092 0.000 2.336 690 D HA 0.080 4.724 4.640 0.006 0.000 0.229 690 D C 0.243 176.561 176.300 0.030 0.000 1.061 690 D CA 0.582 54.611 54.000 0.048 0.000 0.875 690 D CB 0.102 40.952 40.800 0.083 0.000 0.904 690 D HN 0.422 nan 8.370 nan 0.000 0.525 691 A N 1.613 124.457 122.820 0.040 0.000 3.168 691 A HA 0.112 4.435 4.320 0.006 0.000 0.260 691 A C 1.504 179.164 177.584 0.127 0.000 1.598 691 A CA -0.447 51.648 52.037 0.096 0.000 1.285 691 A CB -0.437 18.628 19.000 0.109 0.000 1.149 691 A HN 0.175 nan 8.150 nan 0.000 0.630 692 E N -0.255 119.997 120.200 0.086 0.000 2.106 692 E HA -0.127 4.227 4.350 0.006 0.000 0.192 692 E C -0.399 176.198 176.600 -0.006 0.000 0.984 692 E CA 0.505 56.906 56.400 0.001 0.000 0.806 692 E CB -0.093 29.627 29.700 0.032 0.000 0.750 692 E HN 0.694 nan 8.360 nan 0.000 0.458 693 W N 1.382 122.738 121.300 0.093 0.000 2.587 693 W HA 0.472 5.136 4.660 0.006 0.000 0.324 693 W C -0.757 175.848 176.519 0.143 0.000 1.040 693 W CA -0.916 56.512 57.345 0.137 0.000 1.222 693 W CB 1.944 31.441 29.460 0.060 0.000 1.381 693 W HN -0.078 nan 8.180 nan 0.000 0.483 694 V N 1.371 121.508 119.914 0.371 0.000 2.823 694 V HA 0.647 4.770 4.120 0.006 0.000 0.312 694 V C -0.679 175.578 176.094 0.272 0.000 1.072 694 V CA -1.474 60.974 62.300 0.247 0.000 0.937 694 V CB 1.771 33.652 31.823 0.098 0.000 1.013 694 V HN 0.481 nan 8.190 nan 0.000 0.430 695 I N 4.748 125.426 120.570 0.181 0.000 2.353 695 I HA 0.517 4.690 4.170 0.006 0.000 0.293 695 I C -0.533 175.654 176.117 0.116 0.000 0.992 695 I CA -0.538 60.819 61.300 0.095 0.000 1.268 695 I CB 1.260 39.246 38.000 -0.025 0.000 1.387 695 I HN 0.893 nan 8.210 nan 0.000 0.478 696 Y N 3.986 124.339 120.300 0.088 0.000 2.468 696 Y HA 0.425 4.979 4.550 0.006 0.000 0.342 696 Y C 0.441 176.372 175.900 0.051 0.000 1.021 696 Y CA -1.103 57.038 58.100 0.069 0.000 1.079 696 Y CB 0.666 39.147 38.460 0.035 0.000 1.226 696 Y HN 0.526 nan 8.280 nan 0.000 0.460 697 N N 0.741 119.537 118.700 0.161 0.000 2.333 697 N HA -0.066 4.678 4.740 0.006 0.000 0.178 697 N C -0.416 175.220 175.510 0.210 0.000 1.018 697 N CA 0.690 53.751 53.050 0.019 0.000 0.882 697 N CB 0.449 38.884 38.487 -0.087 0.000 0.984 697 N HN 0.886 nan 8.380 nan 0.000 0.434 698 E N -0.783 119.607 120.200 0.318 0.000 2.366 698 E HA 0.176 4.530 4.350 0.006 0.000 0.278 698 E C -1.981 174.785 176.600 0.276 0.000 0.923 698 E CA -0.551 56.016 56.400 0.278 0.000 0.761 698 E CB 1.425 31.194 29.700 0.116 0.000 1.231 698 E HN -0.047 nan 8.360 nan 0.000 0.443 699 F N 3.671 123.712 119.950 0.152 0.000 2.375 699 F HA 0.383 4.913 4.527 0.006 0.000 0.361 699 F C -0.710 175.137 175.800 0.078 0.000 1.117 699 F CA -0.538 57.508 58.000 0.077 0.000 1.037 699 F CB 1.481 40.539 39.000 0.096 0.000 1.192 699 F HN 0.204 nan 8.300 nan 0.000 0.452 700 V N 7.580 127.570 119.914 0.127 0.000 2.435 700 V HA 0.561 4.685 4.120 0.006 0.000 0.290 700 V C -1.320 174.917 176.094 0.238 0.000 1.030 700 V CA -0.557 61.855 62.300 0.187 0.000 0.881 700 V CB 1.494 33.404 31.823 0.144 0.000 0.983 700 V HN 0.589 nan 8.190 nan 0.000 0.445 701 L N 6.732 128.087 121.223 0.221 0.000 2.445 701 L HA 0.427 4.771 4.340 0.006 0.000 0.252 701 L C 0.911 177.879 176.870 0.162 0.000 1.105 701 L CA 0.602 55.556 54.840 0.190 0.000 0.943 701 L CB 0.975 43.132 42.059 0.164 0.000 1.277 701 L HN 0.904 nan 8.230 nan 0.000 0.465 702 T N -0.748 113.926 114.554 0.200 0.000 3.266 702 T HA -0.014 4.340 4.350 0.006 0.000 0.215 702 T C 1.495 176.266 174.700 0.119 0.000 0.957 702 T CA 1.508 63.706 62.100 0.162 0.000 1.730 702 T CB 0.348 69.331 68.868 0.192 0.000 1.427 702 T HN 0.345 nan 8.240 nan 0.000 0.445 703 S N -0.624 115.150 115.700 0.122 0.000 2.539 703 S HA 0.419 4.893 4.470 0.006 0.000 0.226 703 S C 0.571 175.178 174.600 0.011 0.000 1.054 703 S CA -0.330 57.908 58.200 0.063 0.000 0.910 703 S CB -0.065 63.169 63.200 0.057 0.000 0.818 703 S HN 0.477 nan 8.310 nan 0.000 0.490 704 K N 1.188 121.572 120.400 -0.027 0.000 2.288 704 K HA 0.457 4.781 4.320 0.006 0.000 0.234 704 K C -1.205 175.205 176.600 -0.316 0.000 1.037 704 K CA -0.882 55.258 56.287 -0.246 0.000 0.914 704 K CB 0.467 32.674 32.500 -0.489 0.000 1.197 704 K HN 0.005 nan 8.250 nan 0.000 0.471 705 N N 1.351 119.814 118.700 -0.395 0.000 2.439 705 N HA 0.234 4.978 4.740 0.006 0.000 0.249 705 N C -1.397 173.778 175.510 -0.558 0.000 1.003 705 N CA -0.100 52.771 53.050 -0.297 0.000 0.942 705 N CB 0.329 38.757 38.487 -0.098 0.000 1.115 705 N HN 0.343 nan 8.380 nan 0.000 0.505 706 Y N 0.808 120.964 120.300 -0.240 0.000 2.528 706 Y HA 0.561 5.115 4.550 0.006 0.000 0.335 706 Y C 0.415 176.023 175.900 -0.488 0.000 1.093 706 Y CA -0.815 57.130 58.100 -0.258 0.000 1.134 706 Y CB 1.834 40.271 38.460 -0.038 0.000 1.253 706 Y HN 0.262 nan 8.280 nan 0.000 0.478 707 I N 2.764 123.192 120.570 -0.236 0.000 2.418 707 I HA 0.403 4.577 4.170 0.006 0.000 0.287 707 I C -0.631 175.410 176.117 -0.127 0.000 1.008 707 I CA -0.645 60.410 61.300 -0.407 0.000 1.104 707 I CB 1.251 38.882 38.000 -0.614 0.000 1.264 707 I HN 0.509 nan 8.210 nan 0.000 0.438 708 R N 4.578 125.031 120.500 -0.079 0.000 2.637 708 R HA 0.500 4.844 4.340 0.006 0.000 0.291 708 R C -0.934 175.337 176.300 -0.049 0.000 0.963 708 R CA -0.151 55.898 56.100 -0.084 0.000 0.901 708 R CB 1.728 31.887 30.300 -0.235 0.000 1.160 708 R HN 0.700 nan 8.270 nan 0.000 0.457 709 T N 0.886 115.385 114.554 -0.091 0.000 2.923 709 T HA -0.132 4.221 4.350 0.006 0.000 0.463 709 T C -0.210 174.476 174.700 -0.023 0.000 0.780 709 T CA 0.807 62.822 62.100 -0.141 0.000 2.436 709 T CB -1.803 66.911 68.868 -0.257 0.000 1.675 709 T HN 0.516 nan 8.240 nan 0.000 0.598 710 V N -0.573 119.361 119.914 0.033 0.000 2.667 710 V HA 0.991 5.115 4.120 0.006 0.000 0.308 710 V C 0.139 176.342 176.094 0.182 0.000 1.048 710 V CA -0.624 61.752 62.300 0.126 0.000 0.928 710 V CB 2.692 34.531 31.823 0.027 0.000 1.004 710 V HN 0.600 nan 8.190 nan 0.000 0.444 711 T N 2.546 117.216 114.554 0.193 0.000 2.921 711 T HA 0.522 4.875 4.350 0.006 0.000 0.297 711 T C -0.122 174.654 174.700 0.127 0.000 1.013 711 T CA -0.161 62.035 62.100 0.160 0.000 0.990 711 T CB 1.526 70.473 68.868 0.133 0.000 1.023 711 T HN 1.334 nan 8.240 nan 0.000 0.447 712 S N 1.867 117.649 115.700 0.136 0.000 2.572 712 S HA 0.578 5.052 4.470 0.006 0.000 0.279 712 S C 0.007 174.714 174.600 0.178 0.000 1.341 712 S CA -0.605 57.686 58.200 0.151 0.000 1.043 712 S CB 1.058 64.336 63.200 0.129 0.000 0.887 712 S HN 0.701 nan 8.310 nan 0.000 0.516 713 V N 2.798 122.819 119.914 0.179 0.000 2.888 713 V HA 0.511 4.635 4.120 0.006 0.000 0.309 713 V C -0.696 175.346 176.094 -0.088 0.000 1.114 713 V CA -1.073 61.337 62.300 0.183 0.000 0.940 713 V CB 2.093 34.060 31.823 0.240 0.000 1.021 713 V HN 1.057 nan 8.190 nan 0.000 0.426 714 R N 6.098 126.226 120.500 -0.621 0.000 2.401 714 R HA 0.257 4.601 4.340 0.006 0.000 0.299 714 R C -1.791 174.106 176.300 -0.672 0.000 1.064 714 R CA -1.249 54.296 56.100 -0.925 0.000 1.000 714 R CB 1.071 30.242 30.300 -1.882 0.000 0.973 714 R HN 0.565 nan 8.270 nan 0.000 0.438 715 P HA -0.183 nan 4.420 nan 0.000 0.216 715 P C 0.253 177.183 177.300 -0.616 0.000 1.150 715 P CA 1.282 63.815 63.100 -0.945 0.000 0.837 715 P CB 0.304 31.255 31.700 -1.247 0.000 0.786 716 E N -1.517 118.395 120.200 -0.480 0.000 2.209 716 E HA -0.186 4.168 4.350 0.006 0.000 0.196 716 E C 1.722 178.264 176.600 -0.097 0.000 0.993 716 E CA 0.965 57.199 56.400 -0.277 0.000 0.819 716 E CB -0.906 28.666 29.700 -0.213 0.000 0.745 716 E HN 0.368 nan 8.360 nan 0.000 0.477 717 W N 0.572 121.744 121.300 -0.213 0.000 2.381 717 W HA 0.051 4.715 4.660 0.006 0.000 0.301 717 W C 1.872 178.260 176.519 -0.218 0.000 1.205 717 W CA 0.434 57.682 57.345 -0.162 0.000 1.285 717 W CB -1.095 28.293 29.460 -0.121 0.000 1.133 717 W HN 0.113 nan 8.180 nan 0.000 0.521 718 L N -0.195 120.945 121.223 -0.137 0.000 2.012 718 L HA -0.239 4.105 4.340 0.006 0.000 0.210 718 L C 2.282 178.889 176.870 -0.438 0.000 1.073 718 L CA 1.377 55.967 54.840 -0.417 0.000 0.748 718 L CB -1.001 40.510 42.059 -0.914 0.000 0.891 718 L HN -0.121 nan 8.230 nan 0.000 0.431 719 I N -0.281 120.059 120.570 -0.382 0.000 2.252 719 I HA -0.278 3.896 4.170 0.006 0.000 0.245 719 I C 2.675 178.747 176.117 -0.074 0.000 1.102 719 I CA 1.410 62.600 61.300 -0.183 0.000 1.385 719 I CB -0.360 37.541 38.000 -0.165 0.000 1.064 719 I HN 0.366 nan 8.210 nan 0.000 0.414 720 E N 1.638 121.808 120.200 -0.049 0.000 2.150 720 E HA -0.191 4.162 4.350 0.006 0.000 0.193 720 E C 2.227 178.822 176.600 -0.009 0.000 0.985 720 E CA 1.253 57.651 56.400 -0.003 0.000 0.814 720 E CB 0.059 29.790 29.700 0.052 0.000 0.752 720 E HN 0.524 nan 8.360 nan 0.000 0.466 721 I N 0.294 120.854 120.570 -0.017 0.000 2.867 721 I HA 0.034 4.208 4.170 0.006 0.000 0.265 721 I C 1.064 177.111 176.117 -0.117 0.000 1.162 721 I CA 0.593 61.884 61.300 -0.015 0.000 1.471 721 I CB 0.441 38.462 38.000 0.035 0.000 1.123 721 I HN 0.058 nan 8.210 nan 0.000 0.440 722 A N 0.649 123.369 122.820 -0.168 0.000 3.258 722 A HA 0.441 4.765 4.320 0.006 0.000 0.318 722 A C -1.947 175.644 177.584 0.011 0.000 0.990 722 A CA -1.005 50.859 52.037 -0.288 0.000 0.885 722 A CB -0.320 18.149 19.000 -0.885 0.000 1.090 722 A HN -0.020 nan 8.150 nan 0.000 0.479 723 P HA -0.192 nan 4.420 nan 0.000 0.216 723 P C 1.714 179.106 177.300 0.155 0.000 1.150 723 P CA 2.034 65.186 63.100 0.086 0.000 0.837 723 P CB 0.298 32.020 31.700 0.037 0.000 0.786 724 A N -2.037 120.882 122.820 0.164 0.000 1.969 724 A HA -0.182 4.142 4.320 0.006 0.000 0.218 724 A C 2.222 180.040 177.584 0.391 0.000 1.169 724 A CA 1.180 53.388 52.037 0.285 0.000 0.635 724 A CB -1.658 17.515 19.000 0.288 0.000 0.810 724 A HN 0.182 nan 8.150 nan 0.000 0.445 725 Y N -1.834 118.535 120.300 0.115 0.000 2.314 725 Y HA 0.015 4.569 4.550 0.006 0.000 0.294 725 Y C 0.652 176.520 175.900 -0.052 0.000 1.119 725 Y CA 0.943 58.942 58.100 -0.169 0.000 1.179 725 Y CB 0.146 38.409 38.460 -0.328 0.000 1.025 725 Y HN 0.319 nan 8.280 nan 0.000 0.541 726 Y N 1.033 121.463 120.300 0.215 0.000 2.960 726 Y HA 0.150 4.704 4.550 0.006 0.000 0.393 726 Y C -0.428 175.540 175.900 0.113 0.000 1.118 726 Y CA -0.621 57.607 58.100 0.212 0.000 1.850 726 Y CB -0.262 38.250 38.460 0.086 0.000 1.827 726 Y HN 0.000 nan 8.280 nan 0.000 0.463 727 D N 0.260 120.823 120.400 0.271 0.000 2.392 727 D HA 0.152 4.795 4.640 0.006 0.000 0.228 727 D C 0.516 176.981 176.300 0.276 0.000 1.074 727 D CA -0.421 53.711 54.000 0.219 0.000 0.838 727 D CB 1.161 42.115 40.800 0.256 0.000 1.067 727 D HN 0.168 nan 8.370 nan 0.000 0.511 728 L N 2.740 124.043 121.223 0.134 0.000 2.261 728 L HA -0.133 4.211 4.340 0.006 0.000 0.216 728 L C 2.332 179.344 176.870 0.237 0.000 1.114 728 L CA 1.018 55.930 54.840 0.119 0.000 0.777 728 L CB -0.843 41.213 42.059 -0.004 0.000 0.910 728 L HN 0.331 nan 8.230 nan 0.000 0.440 729 S N 0.502 116.337 115.700 0.224 0.000 2.374 729 S HA -0.226 4.248 4.470 0.006 0.000 0.227 729 S C 1.557 176.245 174.600 0.147 0.000 1.037 729 S CA 1.833 60.152 58.200 0.199 0.000 1.024 729 S CB -0.798 62.573 63.200 0.285 0.000 0.861 729 S HN 0.815 nan 8.310 nan 0.000 0.456 730 N N -0.327 118.460 118.700 0.146 0.000 2.383 730 N HA 0.057 4.801 4.740 0.006 0.000 0.192 730 N C -0.645 174.811 175.510 -0.090 0.000 1.141 730 N CA -0.121 52.934 53.050 0.008 0.000 0.851 730 N CB -0.049 38.406 38.487 -0.053 0.000 0.976 730 N HN 0.202 nan 8.380 nan 0.000 0.465 731 F N 2.360 122.282 119.950 -0.047 0.000 2.411 731 F HA 0.255 4.786 4.527 0.006 0.000 0.350 731 F C 0.992 176.786 175.800 -0.009 0.000 1.114 731 F CA -0.640 57.336 58.000 -0.041 0.000 1.135 731 F CB 1.202 40.191 39.000 -0.019 0.000 1.120 731 F HN -0.062 nan 8.300 nan 0.000 0.495 732 Q N 2.477 122.337 119.800 0.100 0.000 2.535 732 Q HA 0.123 4.467 4.340 0.006 0.000 0.228 732 Q C -0.126 175.941 176.000 0.110 0.000 1.062 732 Q CA -0.604 55.243 55.803 0.074 0.000 0.967 732 Q CB 0.454 29.210 28.738 0.030 0.000 1.273 732 Q HN 0.247 nan 8.270 nan 0.000 0.554 733 K N 1.168 121.611 120.400 0.072 0.000 2.054 733 K HA 0.081 4.405 4.320 0.006 0.000 0.242 733 K C 0.265 176.900 176.600 0.058 0.000 1.157 733 K CA 0.508 56.834 56.287 0.065 0.000 1.079 733 K CB -0.764 31.761 32.500 0.042 0.000 1.331 733 K HN 0.919 nan 8.250 nan 0.000 0.317 734 G N 3.155 111.997 108.800 0.071 0.000 2.356 734 G HA2 -0.291 3.673 3.960 0.006 0.000 0.296 734 G HA3 -0.291 3.673 3.960 0.006 0.000 0.296 734 G C 0.511 175.435 174.900 0.039 0.000 1.022 734 G CA 0.378 45.510 45.100 0.053 0.000 0.961 734 G HN 0.473 nan 8.290 nan 0.000 0.510 735 D N -0.865 119.561 120.400 0.043 0.000 2.097 735 D HA 0.045 4.689 4.640 0.006 0.000 0.195 735 D C 2.354 178.655 176.300 0.001 0.000 0.989 735 D CA 2.027 56.038 54.000 0.020 0.000 0.827 735 D CB 0.118 40.931 40.800 0.022 0.000 0.966 735 D HN 0.629 nan 8.370 nan 0.000 0.456 736 V N -0.904 119.014 119.914 0.006 0.000 3.034 736 V HA -0.054 4.069 4.120 0.006 0.000 0.243 736 V C 1.736 177.844 176.094 0.023 0.000 1.717 736 V CA 0.037 62.329 62.300 -0.014 0.000 1.035 736 V CB 0.160 31.937 31.823 -0.077 0.000 0.973 736 V HN 0.024 nan 8.190 nan 0.000 0.404 737 K N 2.249 122.686 120.400 0.062 0.000 1.973 737 K HA -0.040 4.283 4.320 0.006 0.000 0.212 737 K C 2.005 178.687 176.600 0.137 0.000 1.047 737 K CA 1.963 58.343 56.287 0.155 0.000 0.937 737 K CB -1.012 31.642 32.500 0.257 0.000 0.721 737 K HN 0.435 nan 8.250 nan 0.000 0.440 738 L N 1.501 122.790 121.223 0.109 0.000 1.990 738 L HA -0.224 4.120 4.340 0.006 0.000 0.213 738 L C 2.563 179.440 176.870 0.013 0.000 1.072 738 L CA 1.976 56.826 54.840 0.016 0.000 0.755 738 L CB -0.488 41.624 42.059 0.088 0.000 0.889 738 L HN 0.300 nan 8.230 nan 0.000 0.432 739 S N 0.129 115.853 115.700 0.039 0.000 2.369 739 S HA -0.207 4.267 4.470 0.006 0.000 0.225 739 S C 1.674 176.296 174.600 0.036 0.000 1.043 739 S CA 1.937 60.154 58.200 0.029 0.000 1.074 739 S CB -0.508 62.707 63.200 0.025 0.000 0.962 739 S HN 0.521 nan 8.310 nan 0.000 0.433 740 L N 0.901 122.166 121.223 0.070 0.000 2.492 740 L HA 0.193 4.537 4.340 0.006 0.000 0.223 740 L C 1.680 178.628 176.870 0.129 0.000 1.132 740 L CA 1.467 56.371 54.840 0.108 0.000 0.850 740 L CB -1.420 40.724 42.059 0.141 0.000 0.966 740 L HN 0.115 nan 8.230 nan 0.000 0.454 741 E N 1.415 121.672 120.200 0.095 0.000 2.047 741 E HA -0.163 4.190 4.350 0.006 0.000 0.191 741 E C 2.200 178.768 176.600 -0.054 0.000 0.987 741 E CA 1.161 57.551 56.400 -0.017 0.000 0.799 741 E CB -0.106 29.498 29.700 -0.159 0.000 0.752 741 E HN 0.615 nan 8.360 nan 0.000 0.449 742 R N 0.563 121.038 120.500 -0.041 0.000 2.094 742 R HA -0.125 4.219 4.340 0.006 0.000 0.239 742 R C 2.612 178.898 176.300 -0.023 0.000 1.137 742 R CA 1.426 57.506 56.100 -0.032 0.000 0.943 742 R CB -0.633 29.658 30.300 -0.015 0.000 0.850 742 R HN 0.208 nan 8.270 nan 0.000 0.433 743 I N 1.151 121.717 120.570 -0.006 0.000 2.194 743 I HA -0.308 3.866 4.170 0.006 0.000 0.246 743 I C 2.394 178.499 176.117 -0.020 0.000 1.093 743 I CA 1.375 62.672 61.300 -0.004 0.000 1.355 743 I CB -0.389 37.619 38.000 0.014 0.000 1.046 743 I HN 0.153 nan 8.210 nan 0.000 0.413 744 K N 0.886 121.267 120.400 -0.032 0.000 2.032 744 K HA -0.190 4.134 4.320 0.006 0.000 0.209 744 K C 1.922 178.474 176.600 -0.079 0.000 1.048 744 K CA 1.535 57.776 56.287 -0.077 0.000 0.927 744 K CB -0.392 32.021 32.500 -0.146 0.000 0.712 744 K HN 0.480 nan 8.250 nan 0.000 0.441 745 E N 0.984 121.141 120.200 -0.073 0.000 2.077 745 E HA -0.166 4.187 4.350 0.006 0.000 0.193 745 E C 2.093 178.667 176.600 -0.042 0.000 0.989 745 E CA 1.023 57.386 56.400 -0.061 0.000 0.800 745 E CB -0.100 29.567 29.700 -0.055 0.000 0.746 745 E HN 0.321 nan 8.360 nan 0.000 0.452 746 K N 0.739 121.119 120.400 -0.034 0.000 2.001 746 K HA -0.168 4.156 4.320 0.006 0.000 0.214 746 K C 2.289 178.874 176.600 -0.025 0.000 1.050 746 K CA 1.629 57.901 56.287 -0.024 0.000 0.934 746 K CB -0.419 32.071 32.500 -0.017 0.000 0.718 746 K HN -0.043 nan 8.250 nan 0.000 0.443 747 V N 2.049 121.945 119.914 -0.029 0.000 2.380 747 V HA -0.293 3.830 4.120 0.006 0.000 0.251 747 V C 2.162 178.237 176.094 -0.032 0.000 1.063 747 V CA 1.982 64.264 62.300 -0.029 0.000 1.055 747 V CB -0.463 31.340 31.823 -0.035 0.000 0.657 747 V HN 0.412 nan 8.190 nan 0.000 0.455 748 D N -0.245 120.130 120.400 -0.041 0.000 2.103 748 D HA -0.138 4.506 4.640 0.006 0.000 0.199 748 D C 2.396 178.680 176.300 -0.026 0.000 0.978 748 D CA 1.212 55.189 54.000 -0.038 0.000 0.829 748 D CB 0.124 40.893 40.800 -0.051 0.000 0.981 748 D HN 0.433 nan 8.370 nan 0.000 0.464 749 R N 0.003 120.488 120.500 -0.025 0.000 2.070 749 R HA -0.130 4.214 4.340 0.006 0.000 0.233 749 R C 2.474 178.766 176.300 -0.014 0.000 1.137 749 R CA 0.732 56.821 56.100 -0.018 0.000 0.945 749 R CB -0.538 29.752 30.300 -0.018 0.000 0.845 749 R HN 0.126 nan 8.270 nan 0.000 0.430 750 L N 1.612 122.826 121.223 -0.014 0.000 2.151 750 L HA -0.248 4.096 4.340 0.006 0.000 0.215 750 L C 1.537 178.401 176.870 -0.009 0.000 1.084 750 L CA 1.693 56.526 54.840 -0.011 0.000 0.764 750 L CB -0.795 41.257 42.059 -0.011 0.000 0.891 750 L HN 0.214 nan 8.230 nan 0.000 0.435 751 N N -1.322 117.372 118.700 -0.011 0.000 2.354 751 N HA -0.117 4.626 4.740 0.006 0.000 0.179 751 N C 1.784 177.291 175.510 -0.005 0.000 1.021 751 N CA 0.632 53.678 53.050 -0.008 0.000 0.887 751 N CB -0.042 38.439 38.487 -0.009 0.000 0.974 751 N HN 0.457 nan 8.380 nan 0.000 0.437 752 E N 0.949 121.145 120.200 -0.006 0.000 2.031 752 E HA -0.154 4.199 4.350 0.006 0.000 0.193 752 E C 1.918 178.517 176.600 -0.003 0.000 0.994 752 E CA 1.014 57.412 56.400 -0.004 0.000 0.800 752 E CB -0.035 29.662 29.700 -0.006 0.000 0.752 752 E HN 0.392 nan 8.360 nan 0.000 0.447 753 L N -0.233 120.988 121.223 -0.004 0.000 2.042 753 L HA -0.155 4.189 4.340 0.006 0.000 0.210 753 L C 2.295 179.165 176.870 -0.001 0.000 1.076 753 L CA 1.610 56.449 54.840 -0.003 0.000 0.749 753 L CB -0.532 41.525 42.059 -0.003 0.000 0.893 753 L HN -0.090 nan 8.230 nan 0.000 0.432 754 K N 0.388 120.787 120.400 -0.001 0.000 2.034 754 K HA -0.181 4.143 4.320 0.006 0.000 0.214 754 K C 1.151 177.751 176.600 0.001 0.000 1.051 754 K CA 1.776 58.062 56.287 -0.000 0.000 0.931 754 K CB -0.459 32.041 32.500 -0.000 0.000 0.715 754 K HN 0.545 nan 8.250 nan 0.000 0.446 755 Q N 0.000 119.801 119.800 0.001 0.000 2.315 755 Q HA 0.000 4.344 4.340 0.006 0.000 0.214 755 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 755 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 755 Q HN 0.000 nan 8.270 nan 0.000 0.481