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 3err_1_B DATA FIRST_RESID 3 DATA SEQUENCE DLKRLRQEPE VFHRAIREKG VALDLEALLA VDXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XLEALLLQVP DATA SEQUENCE LPPWPGAPVG GEEANREIKR VGGPPEFSFP PLDHVALMEK NGWWEPRISQ DATA SEQUENCE VSGSRSYALK GDLALYELAL LRFAMDFMAR RGFLPMTLPS YAREKAFLGT DATA SEQUENCE GHFPAYRDQV WAIAETDLYL TGTAEVVLNA LHSGEILPYE ALPLRYAGYA DATA SEQUENCE PAFRSEAGSF GKDVRGLMRV HQFHKVEQYV LTEASLEASD RAFQELLENA DATA SEQUENCE EEILRLLELP YRLVEVATGD MGPGKWRQVD IEVYLPSEGR YRETHSCSAL DATA SEQUENCE LDWQARRANL RYRDPEGRVR YAYTLNNTAL ATPRILAMLL ENHQLQDGRV DATA SEQUENCE RVPQALIPYM GKEVLEPGXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXEQL HKQQEVIADK QMSVKEDLDK VEPAVIEAQN AVKSIKKQHL DATA SEQUENCE VEVRSMANPP AAVKLALESI ALLLGESTTD WKQIRSIIMR ENFIPTIVNF DATA SEQUENCE SAEEISDAIR EKMKKNYMSN PSYNYEIVNR ASLAAGPMVK WAIAQLNYAD DATA SEQUENCE MLKRVEPLRN ELQKLEDDAK DNQQK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.284 176.300 -0.026 0.000 2.045 3 D CA 0.000 54.002 54.000 0.004 0.000 0.868 3 D CB 0.000 40.840 40.800 0.066 0.000 0.688 4 L N 2.448 123.661 121.223 -0.016 0.000 1.973 4 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 4 L C 2.307 179.173 176.870 -0.008 0.000 1.073 4 L CA 0.941 55.765 54.840 -0.027 0.000 0.746 4 L CB -0.280 41.789 42.059 0.018 0.000 0.891 4 L HN 0.384 nan 8.230 nan 0.000 0.433 5 K N -0.058 120.355 120.400 0.021 0.000 1.987 5 K HA -0.268 4.051 4.320 -0.001 0.000 0.216 5 K C 2.246 178.885 176.600 0.065 0.000 1.051 5 K CA 1.838 58.145 56.287 0.033 0.000 0.942 5 K CB -0.364 32.157 32.500 0.035 0.000 0.722 5 K HN 0.144 nan 8.250 nan 0.000 0.444 6 R N 1.109 121.664 120.500 0.091 0.000 2.103 6 R HA -0.207 4.132 4.340 -0.001 0.000 0.242 6 R C 2.411 178.867 176.300 0.260 0.000 1.142 6 R CA 1.532 57.724 56.100 0.153 0.000 0.960 6 R CB -0.399 29.998 30.300 0.163 0.000 0.858 6 R HN 0.147 nan 8.270 nan 0.000 0.439 7 L N 1.265 122.603 121.223 0.192 0.000 1.970 7 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 7 L C 2.299 179.256 176.870 0.144 0.000 1.071 7 L CA 1.910 56.782 54.840 0.052 0.000 0.751 7 L CB -0.471 41.219 42.059 -0.615 0.000 0.889 7 L HN 0.123 nan 8.230 nan 0.000 0.432 8 R N -0.853 119.669 120.500 0.037 0.000 2.105 8 R HA -0.180 4.159 4.340 -0.001 0.000 0.239 8 R C 2.203 178.576 176.300 0.122 0.000 1.135 8 R CA 1.653 57.793 56.100 0.066 0.000 0.967 8 R CB -0.460 29.856 30.300 0.026 0.000 0.861 8 R HN 0.599 nan 8.270 nan 0.000 0.442 9 Q N 0.314 120.191 119.800 0.130 0.000 2.308 9 Q HA -0.147 4.192 4.340 -0.001 0.000 0.209 9 Q C 0.068 176.151 176.000 0.139 0.000 0.985 9 Q CA 1.121 56.994 55.803 0.117 0.000 0.881 9 Q CB 0.136 28.937 28.738 0.106 0.000 0.917 9 Q HN 0.382 nan 8.270 nan 0.000 0.443 10 E N -0.813 119.518 120.200 0.218 0.000 3.666 10 E HA 0.114 4.464 4.350 -0.001 0.000 0.230 10 E C -2.234 174.556 176.600 0.317 0.000 1.235 10 E CA -1.351 55.172 56.400 0.204 0.000 1.096 10 E CB 1.172 30.944 29.700 0.121 0.000 1.287 10 E HN 0.041 nan 8.360 nan 0.000 0.406 11 P HA -0.125 nan 4.420 nan 0.000 0.231 11 P C 0.556 178.100 177.300 0.407 0.000 1.158 11 P CA 1.056 64.365 63.100 0.348 0.000 0.763 11 P CB 0.324 32.163 31.700 0.231 0.000 0.805 12 E N -1.213 119.128 120.200 0.236 0.000 2.201 12 E HA -0.024 4.325 4.350 -0.001 0.000 0.193 12 E C 1.794 178.480 176.600 0.144 0.000 0.957 12 E CA 0.426 56.924 56.400 0.164 0.000 0.858 12 E CB -0.194 29.550 29.700 0.074 0.000 0.816 12 E HN 0.032 nan 8.360 nan 0.000 0.475 13 V N 0.899 120.859 119.914 0.077 0.000 2.295 13 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 13 V C 1.963 178.005 176.094 -0.087 0.000 1.049 13 V CA 1.671 63.931 62.300 -0.067 0.000 1.024 13 V CB -0.653 31.034 31.823 -0.227 0.000 0.648 13 V HN 0.145 nan 8.190 nan 0.000 0.447 14 F N -0.453 119.544 119.950 0.078 0.000 2.186 14 F HA -0.082 4.444 4.527 -0.001 0.000 0.299 14 F C 2.597 178.399 175.800 0.002 0.000 1.090 14 F CA 1.609 59.627 58.000 0.030 0.000 1.307 14 F CB -0.776 38.216 39.000 -0.013 0.000 1.019 14 F HN 0.180 nan 8.300 nan 0.000 0.489 15 H N -0.235 118.960 119.070 0.209 0.000 2.387 15 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 15 H C 2.440 177.812 175.328 0.073 0.000 1.090 15 H CA 1.622 57.743 56.048 0.121 0.000 1.332 15 H CB -0.165 29.652 29.762 0.091 0.000 1.386 15 H HN 0.217 nan 8.280 nan 0.000 0.516 16 R N 0.564 121.163 120.500 0.165 0.000 2.090 16 R HA -0.023 4.316 4.340 -0.001 0.000 0.228 16 R C 2.393 178.720 176.300 0.045 0.000 1.110 16 R CA 0.943 57.090 56.100 0.078 0.000 0.973 16 R CB -0.013 30.309 30.300 0.037 0.000 0.869 16 R HN 0.201 nan 8.270 nan 0.000 0.440 17 A N 1.272 124.119 122.820 0.045 0.000 1.930 17 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 17 A C 2.072 179.683 177.584 0.045 0.000 1.175 17 A CA 1.214 53.270 52.037 0.031 0.000 0.627 17 A CB -0.416 18.610 19.000 0.044 0.000 0.815 17 A HN 0.345 nan 8.150 nan 0.000 0.443 18 I N -1.063 119.547 120.570 0.067 0.000 2.202 18 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 18 I C 2.688 178.830 176.117 0.043 0.000 1.091 18 I CA 1.413 62.746 61.300 0.054 0.000 1.368 18 I CB -0.588 37.438 38.000 0.043 0.000 1.058 18 I HN 0.269 nan 8.210 nan 0.000 0.410 19 R N 0.885 121.416 120.500 0.051 0.000 2.115 19 R HA -0.125 4.215 4.340 -0.001 0.000 0.230 19 R C 2.188 178.497 176.300 0.015 0.000 1.111 19 R CA 1.127 57.248 56.100 0.036 0.000 0.976 19 R CB -0.227 30.097 30.300 0.040 0.000 0.870 19 R HN 0.465 nan 8.270 nan 0.000 0.445 20 E N 0.766 120.969 120.200 0.006 0.000 2.077 20 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 20 E C 1.475 178.065 176.600 -0.017 0.000 0.989 20 E CA 1.136 57.525 56.400 -0.017 0.000 0.800 20 E CB 0.109 29.787 29.700 -0.037 0.000 0.746 20 E HN 0.267 nan 8.360 nan 0.000 0.452 21 K N -0.650 119.745 120.400 -0.008 0.000 2.444 21 K HA 0.065 4.385 4.320 -0.001 0.000 0.193 21 K C 0.839 177.441 176.600 0.003 0.000 1.024 21 K CA 0.466 56.748 56.287 -0.008 0.000 1.077 21 K CB 0.713 33.205 32.500 -0.015 0.000 0.833 21 K HN 0.218 nan 8.250 nan 0.000 0.517 22 G N 1.628 110.434 108.800 0.009 0.000 2.176 22 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.252 22 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.252 22 G C 0.065 174.975 174.900 0.016 0.000 1.024 22 G CA 0.044 45.152 45.100 0.013 0.000 0.755 22 G HN 0.119 nan 8.290 nan 0.000 0.507 23 V N -0.004 119.920 119.914 0.018 0.000 2.716 23 V HA 0.767 4.887 4.120 -0.001 0.000 0.304 23 V C 0.778 176.884 176.094 0.019 0.000 1.053 23 V CA -0.111 62.199 62.300 0.017 0.000 0.984 23 V CB 1.883 33.720 31.823 0.022 0.000 1.021 23 V HN 1.172 nan 8.190 nan 0.000 0.467 24 A N 4.963 127.791 122.820 0.015 0.000 2.412 24 A HA 0.756 5.076 4.320 -0.001 0.000 0.334 24 A C -0.969 176.622 177.584 0.011 0.000 1.419 24 A CA -0.220 51.825 52.037 0.014 0.000 0.930 24 A CB 0.020 19.027 19.000 0.012 0.000 1.149 24 A HN 0.751 nan 8.150 nan 0.000 0.515 25 L N 2.262 123.491 121.223 0.010 0.000 2.528 25 L HA 0.462 4.802 4.340 -0.001 0.000 0.267 25 L C -1.259 175.605 176.870 -0.011 0.000 0.961 25 L CA -0.279 54.561 54.840 -0.001 0.000 0.866 25 L CB 2.023 44.082 42.059 -0.000 0.000 1.248 25 L HN 0.524 nan 8.230 nan 0.000 0.404 26 D N 3.787 124.184 120.400 -0.004 0.000 2.374 26 D HA 0.081 4.721 4.640 -0.001 0.000 0.240 26 D C 0.938 177.224 176.300 -0.023 0.000 1.229 26 D CA -0.051 53.951 54.000 0.003 0.000 0.895 26 D CB 0.989 41.799 40.800 0.017 0.000 1.046 26 D HN 0.609 nan 8.370 nan 0.000 0.498 27 L N 3.977 125.160 121.223 -0.067 0.000 2.275 27 L HA -0.033 4.306 4.340 -0.001 0.000 0.215 27 L C 1.541 178.391 176.870 -0.034 0.000 1.119 27 L CA 1.644 56.412 54.840 -0.119 0.000 0.790 27 L CB -0.113 41.746 42.059 -0.333 0.000 0.919 27 L HN 0.290 nan 8.230 nan 0.000 0.443 28 E N -0.112 120.109 120.200 0.034 0.000 2.046 28 E HA -0.040 4.309 4.350 -0.001 0.000 0.190 28 E C 2.288 178.901 176.600 0.022 0.000 0.982 28 E CA 1.382 57.813 56.400 0.052 0.000 0.800 28 E CB -0.557 29.189 29.700 0.076 0.000 0.756 28 E HN 0.544 nan 8.360 nan 0.000 0.449 29 A N 0.814 123.643 122.820 0.015 0.000 1.883 29 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 29 A C 2.224 179.806 177.584 -0.003 0.000 1.186 29 A CA 1.577 53.618 52.037 0.007 0.000 0.624 29 A CB -0.813 18.190 19.000 0.005 0.000 0.822 29 A HN 0.303 nan 8.150 nan 0.000 0.444 30 L N -0.274 120.940 121.223 -0.016 0.000 2.012 30 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 30 L C 2.275 179.131 176.870 -0.022 0.000 1.073 30 L CA 1.912 56.736 54.840 -0.028 0.000 0.748 30 L CB -0.417 41.611 42.059 -0.052 0.000 0.891 30 L HN 0.391 nan 8.230 nan 0.000 0.431 31 L N -0.346 120.864 121.223 -0.022 0.000 2.046 31 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 31 L C 2.781 179.658 176.870 0.012 0.000 1.077 31 L CA 1.201 56.035 54.840 -0.009 0.000 0.747 31 L CB -0.998 41.057 42.059 -0.006 0.000 0.896 31 L HN 0.433 nan 8.230 nan 0.000 0.432 32 A N -0.401 122.426 122.820 0.012 0.000 1.908 32 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 32 A C 2.343 179.939 177.584 0.020 0.000 1.181 32 A CA 1.874 53.922 52.037 0.018 0.000 0.627 32 A CB -0.828 18.181 19.000 0.015 0.000 0.818 32 A HN 0.204 nan 8.150 nan 0.000 0.445 33 V N 0.623 120.544 119.914 0.012 0.000 2.358 33 V HA -0.147 3.972 4.120 -0.001 0.000 0.246 33 V C 1.404 177.508 176.094 0.018 0.000 1.047 33 V CA 1.681 63.986 62.300 0.008 0.000 1.035 33 V CB -0.878 30.943 31.823 -0.004 0.000 0.658 33 V HN 0.762 nan 8.190 nan 0.000 0.452 95 E N 0.811 120.993 120.200 -0.029 0.000 2.208 95 E HA 0.061 4.410 4.350 -0.001 0.000 0.193 95 E C 1.971 178.556 176.600 -0.024 0.000 0.988 95 E CA 1.064 57.446 56.400 -0.030 0.000 0.828 95 E CB -0.055 29.630 29.700 -0.024 0.000 0.763 95 E HN 0.612 nan 8.360 nan 0.000 0.478 96 A N 0.929 123.738 122.820 -0.018 0.000 1.933 96 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 96 A C 2.087 179.662 177.584 -0.014 0.000 1.175 96 A CA 1.076 53.105 52.037 -0.012 0.000 0.628 96 A CB -0.362 18.631 19.000 -0.012 0.000 0.814 96 A HN 0.162 nan 8.150 nan 0.000 0.444 97 L N -0.826 120.385 121.223 -0.020 0.000 2.202 97 L HA -0.014 4.325 4.340 -0.001 0.000 0.205 97 L C 2.124 178.977 176.870 -0.028 0.000 1.083 97 L CA 0.069 54.897 54.840 -0.022 0.000 0.790 97 L CB -0.352 41.691 42.059 -0.027 0.000 0.942 97 L HN 0.240 nan 8.230 nan 0.000 0.452 98 L N 0.181 121.378 121.223 -0.044 0.000 2.129 98 L HA -0.221 4.119 4.340 -0.001 0.000 0.212 98 L C 2.350 179.187 176.870 -0.054 0.000 1.087 98 L CA 1.789 56.592 54.840 -0.062 0.000 0.757 98 L CB -1.023 40.990 42.059 -0.076 0.000 0.896 98 L HN 0.338 nan 8.230 nan 0.000 0.434 99 L N -1.215 119.984 121.223 -0.039 0.000 2.551 99 L HA -0.136 4.204 4.340 -0.001 0.000 0.228 99 L C 2.291 179.193 176.870 0.053 0.000 1.153 99 L CA 0.438 55.259 54.840 -0.031 0.000 0.851 99 L CB -0.156 41.896 42.059 -0.012 0.000 0.959 99 L HN 0.399 nan 8.230 nan 0.000 0.451 100 Q N -0.764 119.069 119.800 0.054 0.000 2.376 100 Q HA 0.068 4.407 4.340 -0.001 0.000 0.206 100 Q C 0.557 176.641 176.000 0.139 0.000 0.921 100 Q CA -0.064 55.791 55.803 0.087 0.000 0.911 100 Q CB 0.591 29.350 28.738 0.035 0.000 1.032 100 Q HN 0.237 nan 8.270 nan 0.000 0.510 101 V N 4.508 124.496 119.914 0.124 0.000 2.644 101 V HA -0.015 4.104 4.120 -0.001 0.000 0.305 101 V C -1.947 174.388 176.094 0.401 0.000 1.053 101 V CA -0.346 62.064 62.300 0.183 0.000 1.186 101 V CB -0.268 31.611 31.823 0.094 0.000 0.895 101 V HN 0.168 nan 8.190 nan 0.000 0.490 102 P HA 0.466 nan 4.420 nan 0.000 0.287 102 P C -0.955 176.534 177.300 0.315 0.000 1.290 102 P CA -1.015 62.267 63.100 0.303 0.000 0.889 102 P CB 1.702 33.470 31.700 0.114 0.000 1.190 103 L N 3.004 124.287 121.223 0.100 0.000 2.349 103 L HA 0.439 4.778 4.340 -0.001 0.000 0.275 103 L C -2.421 174.499 176.870 0.084 0.000 1.115 103 L CA -2.149 52.769 54.840 0.130 0.000 0.820 103 L CB 0.055 42.112 42.059 -0.003 0.000 1.135 103 L HN 0.220 nan 8.230 nan 0.000 0.445 104 P HA 0.186 nan 4.420 nan 0.000 0.271 104 P C -2.585 174.759 177.300 0.072 0.000 1.220 104 P CA -0.896 62.242 63.100 0.064 0.000 0.768 104 P CB 0.124 31.857 31.700 0.054 0.000 0.848 105 P HA 0.037 nan 4.420 nan 0.000 0.274 105 P C -0.331 176.564 177.300 -0.676 0.000 1.231 105 P CA -0.464 62.477 63.100 -0.265 0.000 0.790 105 P CB 0.573 32.156 31.700 -0.196 0.000 0.951 106 W N 3.215 123.625 121.300 -1.483 0.000 2.181 106 W HA 0.190 4.849 4.660 -0.001 0.000 0.335 106 W C -2.356 173.708 176.519 -0.758 0.000 1.310 106 W CA -2.277 53.999 57.345 -1.782 0.000 1.226 106 W CB -1.288 27.017 29.460 -1.926 0.000 1.155 106 W HN 0.341 nan 8.180 nan 0.000 0.565 107 P HA -0.031 nan 4.420 nan 0.000 0.229 107 P C 1.307 178.051 177.300 -0.926 0.000 1.150 107 P CA 2.124 64.857 63.100 -0.612 0.000 0.765 107 P CB -0.079 31.438 31.700 -0.306 0.000 0.783 108 G N -1.401 106.272 108.800 -1.878 0.000 3.502 108 G HA2 0.394 4.353 3.960 -0.001 0.000 0.267 108 G HA3 0.394 4.353 3.960 -0.001 0.000 0.267 108 G C 0.177 174.245 174.900 -1.387 0.000 1.090 108 G CA 0.033 44.085 45.100 -1.747 0.000 0.795 108 G HN 0.338 nan 8.290 nan 0.000 0.535 109 A N 1.247 123.314 122.820 -1.255 0.000 2.320 109 A HA 0.717 5.036 4.320 -0.001 0.000 0.287 109 A C -2.332 175.072 177.584 -0.299 0.000 1.181 109 A CA -1.275 50.490 52.037 -0.453 0.000 0.831 109 A CB 0.728 19.575 19.000 -0.254 0.000 1.102 109 A HN 0.119 nan 8.150 nan 0.000 0.513 110 P HA 0.188 nan 4.420 nan 0.000 0.267 110 P C -0.527 176.704 177.300 -0.116 0.000 1.200 110 P CA 0.009 63.033 63.100 -0.127 0.000 0.772 110 P CB 0.520 32.179 31.700 -0.069 0.000 0.855 111 V N 2.375 122.225 119.914 -0.108 0.000 2.509 111 V HA 0.733 4.853 4.120 -0.001 0.000 0.284 111 V C 0.934 176.995 176.094 -0.056 0.000 1.047 111 V CA 0.723 62.971 62.300 -0.087 0.000 0.952 111 V CB 0.236 32.005 31.823 -0.090 0.000 0.988 111 V HN 1.044 nan 8.190 nan 0.000 0.469 112 G N 3.374 112.148 108.800 -0.043 0.000 2.318 112 G HA2 0.331 4.290 3.960 -0.001 0.000 0.367 112 G HA3 0.331 4.290 3.960 -0.001 0.000 0.367 112 G C -0.008 174.882 174.900 -0.017 0.000 1.260 112 G CA -0.236 44.848 45.100 -0.027 0.000 1.055 112 G HN 1.123 nan 8.290 nan 0.000 0.484 113 G N -1.251 107.544 108.800 -0.009 0.000 2.494 113 G HA2 0.500 4.459 3.960 -0.001 0.000 0.270 113 G HA3 0.500 4.459 3.960 -0.001 0.000 0.270 113 G C 0.947 175.847 174.900 0.001 0.000 1.423 113 G CA 0.978 46.078 45.100 -0.001 0.000 1.055 113 G HN 1.062 nan 8.290 nan 0.000 0.536 114 E N -0.017 120.188 120.200 0.007 0.000 2.130 114 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 114 E C 2.129 178.733 176.600 0.007 0.000 0.998 114 E CA 1.651 58.057 56.400 0.010 0.000 0.806 114 E CB -0.051 29.657 29.700 0.014 0.000 0.738 114 E HN 0.591 nan 8.360 nan 0.000 0.459 115 E N 0.110 120.313 120.200 0.004 0.000 2.472 115 E HA -0.142 4.207 4.350 -0.001 0.000 0.200 115 E C 1.119 177.718 176.600 -0.003 0.000 1.046 115 E CA 1.079 57.481 56.400 0.003 0.000 0.871 115 E CB 0.150 29.851 29.700 0.002 0.000 0.806 115 E HN 0.301 nan 8.360 nan 0.000 0.533 116 A N 0.660 123.476 122.820 -0.006 0.000 2.390 116 A HA 0.136 4.455 4.320 -0.001 0.000 0.232 116 A C 0.410 177.987 177.584 -0.012 0.000 1.233 116 A CA -0.515 51.514 52.037 -0.014 0.000 0.907 116 A CB -0.440 18.546 19.000 -0.023 0.000 0.967 116 A HN 0.184 nan 8.150 nan 0.000 0.512 117 N N 1.080 119.779 118.700 -0.002 0.000 2.412 117 N HA 0.127 4.866 4.740 -0.001 0.000 0.258 117 N C -0.379 175.133 175.510 0.002 0.000 1.236 117 N CA 0.304 53.358 53.050 0.006 0.000 0.882 117 N CB 0.387 38.881 38.487 0.013 0.000 1.066 117 N HN 0.311 nan 8.380 nan 0.000 0.465 118 R N 1.795 122.299 120.500 0.006 0.000 2.338 118 R HA 0.098 4.438 4.340 -0.001 0.000 0.317 118 R C -0.436 175.864 176.300 -0.000 0.000 0.968 118 R CA -0.635 55.465 56.100 0.000 0.000 0.849 118 R CB 1.412 31.711 30.300 -0.002 0.000 1.128 118 R HN 0.588 nan 8.270 nan 0.000 0.448 119 E N 4.167 124.356 120.200 -0.018 0.000 2.498 119 E HA -0.062 4.287 4.350 -0.001 0.000 0.252 119 E C 0.795 177.382 176.600 -0.021 0.000 1.025 119 E CA 0.122 56.500 56.400 -0.037 0.000 0.938 119 E CB 0.434 30.093 29.700 -0.067 0.000 0.947 119 E HN 0.660 nan 8.360 nan 0.000 0.478 120 I N 1.577 122.143 120.570 -0.007 0.000 4.035 120 I HA 0.342 4.511 4.170 -0.001 0.000 0.321 120 I C 0.489 176.605 176.117 -0.002 0.000 1.289 120 I CA -0.275 61.032 61.300 0.010 0.000 1.236 120 I CB 0.261 38.289 38.000 0.047 0.000 1.076 120 I HN 0.214 nan 8.210 nan 0.000 0.418 121 K N 1.645 122.031 120.400 -0.023 0.000 2.578 121 K HA 0.501 4.821 4.320 -0.001 0.000 0.269 121 K C -1.559 174.982 176.600 -0.098 0.000 0.941 121 K CA -0.686 55.578 56.287 -0.038 0.000 0.847 121 K CB 2.900 35.406 32.500 0.009 0.000 1.397 121 K HN 0.130 nan 8.250 nan 0.000 0.422 122 R N 2.698 123.112 120.500 -0.143 0.000 2.621 122 R HA 0.566 4.905 4.340 -0.001 0.000 0.284 122 R C -1.834 174.289 176.300 -0.294 0.000 0.998 122 R CA -0.647 55.315 56.100 -0.230 0.000 0.895 122 R CB 2.049 32.237 30.300 -0.188 0.000 1.195 122 R HN 0.291 nan 8.270 nan 0.000 0.450 123 V N 3.950 123.549 119.914 -0.524 0.000 2.531 123 V HA 0.782 4.901 4.120 -0.001 0.000 0.301 123 V C 0.246 176.112 176.094 -0.380 0.000 1.034 123 V CA 0.240 62.228 62.300 -0.521 0.000 0.865 123 V CB 1.288 32.595 31.823 -0.859 0.000 0.995 123 V HN 1.125 nan 8.190 nan 0.000 0.424 124 G N 3.583 112.266 108.800 -0.195 0.000 2.756 124 G HA2 0.362 4.322 3.960 -0.001 0.000 0.678 124 G HA3 0.362 4.322 3.960 -0.001 0.000 0.678 124 G C -0.126 174.718 174.900 -0.094 0.000 1.349 124 G CA -0.254 44.779 45.100 -0.112 0.000 0.847 124 G HN 1.485 nan 8.290 nan 0.000 0.548 125 G N -0.506 108.238 108.800 -0.092 0.000 2.519 125 G HA2 0.810 4.769 3.960 -0.001 0.000 0.307 125 G HA3 0.810 4.769 3.960 -0.001 0.000 0.307 125 G C -2.735 172.033 174.900 -0.220 0.000 1.266 125 G CA -1.089 43.931 45.100 -0.134 0.000 0.970 125 G HN 0.608 nan 8.290 nan 0.000 0.481 126 P HA 0.072 nan 4.420 nan 0.000 0.259 126 P C -1.975 175.101 177.300 -0.374 0.000 1.163 126 P CA -0.275 62.369 63.100 -0.760 0.000 0.760 126 P CB 0.161 31.224 31.700 -1.061 0.000 0.762 127 P HA 0.113 nan 4.420 nan 0.000 0.272 127 P C -0.532 176.506 177.300 -0.437 0.000 1.223 127 P CA 0.114 62.992 63.100 -0.370 0.000 0.784 127 P CB 0.983 32.398 31.700 -0.475 0.000 0.923 128 E N 1.151 121.035 120.200 -0.527 0.000 2.187 128 E HA 0.457 4.807 4.350 -0.001 0.000 0.268 128 E C -1.306 174.938 176.600 -0.593 0.000 0.896 128 E CA -0.628 55.528 56.400 -0.407 0.000 0.766 128 E CB 0.790 30.368 29.700 -0.202 0.000 1.142 128 E HN 0.254 nan 8.360 nan 0.000 0.408 129 F N 1.269 121.077 119.950 -0.236 0.000 2.522 129 F HA 0.202 4.728 4.527 -0.001 0.000 0.324 129 F C 1.401 177.044 175.800 -0.260 0.000 1.077 129 F CA -0.750 57.006 58.000 -0.407 0.000 0.944 129 F CB 2.049 40.410 39.000 -1.064 0.000 1.175 129 F HN 0.464 nan 8.300 nan 0.000 0.468 130 S N 0.759 116.512 115.700 0.088 0.000 2.603 130 S HA 0.119 4.588 4.470 -0.001 0.000 0.220 130 S C -0.024 174.701 174.600 0.208 0.000 0.967 130 S CA -0.162 58.118 58.200 0.134 0.000 0.920 130 S CB -0.990 62.296 63.200 0.144 0.000 0.773 130 S HN 0.490 nan 8.310 nan 0.000 0.529 131 F N -0.174 119.854 119.950 0.130 0.000 2.557 131 F HA 0.831 5.357 4.527 -0.001 0.000 0.336 131 F C -3.278 172.541 175.800 0.033 0.000 1.058 131 F CA -3.454 54.584 58.000 0.063 0.000 0.988 131 F CB -0.405 38.615 39.000 0.034 0.000 1.275 131 F HN -0.308 nan 8.300 nan 0.000 0.488 132 P HA 0.177 nan 4.420 nan 0.000 0.269 132 P C -2.480 174.788 177.300 -0.054 0.000 1.263 132 P CA -0.653 62.437 63.100 -0.017 0.000 0.813 132 P CB 0.107 31.828 31.700 0.035 0.000 0.868 133 P HA 0.102 nan 4.420 nan 0.000 0.276 133 P C -0.540 176.633 177.300 -0.212 0.000 1.230 133 P CA 0.178 62.975 63.100 -0.505 0.000 0.776 133 P CB 0.950 32.112 31.700 -0.897 0.000 0.888 134 L N 2.536 123.682 121.223 -0.127 0.000 2.379 134 L HA 0.310 4.650 4.340 -0.001 0.000 0.269 134 L C 1.032 177.844 176.870 -0.096 0.000 1.084 134 L CA -0.876 53.913 54.840 -0.086 0.000 0.802 134 L CB 0.483 42.509 42.059 -0.055 0.000 1.175 134 L HN 0.409 nan 8.230 nan 0.000 0.448 135 D N -1.412 118.934 120.400 -0.090 0.000 2.383 135 D HA 0.008 4.648 4.640 -0.001 0.000 0.248 135 D C 1.138 177.393 176.300 -0.076 0.000 1.170 135 D CA -0.346 53.609 54.000 -0.075 0.000 0.977 135 D CB 0.402 41.145 40.800 -0.096 0.000 1.120 135 D HN 0.612 nan 8.370 nan 0.000 0.481 136 H N -0.116 118.871 119.070 -0.138 0.000 2.387 136 H HA -0.097 4.459 4.556 -0.001 0.000 0.299 136 H C 1.645 176.830 175.328 -0.238 0.000 1.090 136 H CA 1.103 57.062 56.048 -0.149 0.000 1.332 136 H CB -0.830 28.841 29.762 -0.152 0.000 1.386 136 H HN 0.257 nan 8.280 nan 0.000 0.516 137 V N 1.802 121.250 119.914 -0.776 0.000 2.343 137 V HA -0.212 3.907 4.120 -0.001 0.000 0.247 137 V C 3.112 178.946 176.094 -0.434 0.000 1.051 137 V CA 1.733 63.579 62.300 -0.756 0.000 1.036 137 V CB -1.049 30.385 31.823 -0.649 0.000 0.654 137 V HN 0.686 nan 8.190 nan 0.000 0.451 138 A N -0.740 121.920 122.820 -0.267 0.000 1.968 138 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 138 A C 2.157 179.653 177.584 -0.147 0.000 1.169 138 A CA 1.333 53.272 52.037 -0.163 0.000 0.638 138 A CB -0.389 18.542 19.000 -0.114 0.000 0.812 138 A HN 0.506 nan 8.150 nan 0.000 0.446 139 L N -1.182 119.968 121.223 -0.123 0.000 2.056 139 L HA -0.176 4.163 4.340 -0.001 0.000 0.207 139 L C 2.853 179.649 176.870 -0.123 0.000 1.078 139 L CA 1.399 56.188 54.840 -0.084 0.000 0.749 139 L CB -0.431 41.652 42.059 0.040 0.000 0.901 139 L HN 0.395 nan 8.230 nan 0.000 0.433 140 M N -0.760 118.784 119.600 -0.092 0.000 2.117 140 M HA -0.243 4.237 4.480 -0.001 0.000 0.262 140 M C 2.205 178.425 176.300 -0.133 0.000 1.065 140 M CA 1.664 56.940 55.300 -0.040 0.000 1.114 140 M CB -0.303 32.107 32.600 -0.317 0.000 1.361 140 M HN 0.168 nan 8.290 nan 0.000 0.408 141 E N 0.522 120.618 120.200 -0.173 0.000 2.038 141 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 141 E C 1.862 178.394 176.600 -0.113 0.000 1.000 141 E CA 1.562 57.937 56.400 -0.043 0.000 0.803 141 E CB 0.029 29.714 29.700 -0.025 0.000 0.750 141 E HN 0.096 nan 8.360 nan 0.000 0.448 142 K N 0.762 121.055 120.400 -0.177 0.000 2.074 142 K HA -0.115 4.204 4.320 -0.001 0.000 0.209 142 K C 1.228 177.625 176.600 -0.339 0.000 1.048 142 K CA 1.752 57.909 56.287 -0.217 0.000 0.926 142 K CB -0.142 32.231 32.500 -0.212 0.000 0.713 142 K HN 0.129 nan 8.250 nan 0.000 0.444 143 N N -0.528 117.813 118.700 -0.599 0.000 2.336 143 N HA 0.054 4.793 4.740 -0.001 0.000 0.189 143 N C -0.045 174.981 175.510 -0.807 0.000 1.113 143 N CA 0.806 53.266 53.050 -0.984 0.000 0.858 143 N CB 0.535 37.668 38.487 -2.256 0.000 0.970 143 N HN 0.406 nan 8.380 nan 0.000 0.471 144 G N 0.928 109.498 108.800 -0.383 0.000 2.314 144 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.292 144 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.292 144 G C 0.060 175.025 174.900 0.108 0.000 1.059 144 G CA -0.182 44.863 45.100 -0.093 0.000 0.982 144 G HN 0.431 nan 8.290 nan 0.000 0.505 145 W N -1.038 120.356 121.300 0.155 0.000 3.005 145 W HA 0.475 5.134 4.660 -0.001 0.000 0.374 145 W C 0.526 177.240 176.519 0.325 0.000 1.076 145 W CA -0.503 56.948 57.345 0.177 0.000 1.794 145 W CB -0.229 29.301 29.460 0.116 0.000 1.113 145 W HN 0.668 nan 8.180 nan 0.000 0.584 146 W N 0.947 122.399 121.300 0.254 0.000 3.118 146 W HA 0.548 5.207 4.660 -0.001 0.000 0.328 146 W C -1.311 175.284 176.519 0.127 0.000 1.239 146 W CA -2.456 55.006 57.345 0.195 0.000 1.176 146 W CB 0.514 30.098 29.460 0.206 0.000 1.433 146 W HN -0.169 nan 8.180 nan 0.000 0.562 147 E N 4.604 124.785 120.200 -0.032 0.000 2.070 147 E HA 0.400 4.750 4.350 -0.001 0.000 0.261 147 E C -1.682 174.598 176.600 -0.533 0.000 0.926 147 E CA -2.684 53.595 56.400 -0.202 0.000 0.760 147 E CB 1.312 30.974 29.700 -0.064 0.000 1.133 147 E HN 0.161 nan 8.360 nan 0.000 0.420 148 P HA -0.070 nan 4.420 nan 0.000 0.233 148 P C 0.426 177.541 177.300 -0.308 0.000 1.167 148 P CA 0.423 63.122 63.100 -0.667 0.000 0.770 148 P CB 0.318 31.755 31.700 -0.438 0.000 0.837 149 R N -0.552 119.826 120.500 -0.204 0.000 2.285 149 R HA -0.031 4.309 4.340 -0.001 0.000 0.213 149 R C 2.036 178.279 176.300 -0.096 0.000 1.068 149 R CA 0.367 56.400 56.100 -0.112 0.000 1.004 149 R CB -0.879 29.378 30.300 -0.071 0.000 0.873 149 R HN 0.168 nan 8.270 nan 0.000 0.467 150 I N 1.069 121.559 120.570 -0.133 0.000 2.614 150 I HA -0.205 3.965 4.170 -0.001 0.000 0.258 150 I C 1.838 177.932 176.117 -0.037 0.000 1.189 150 I CA 1.242 62.495 61.300 -0.079 0.000 1.462 150 I CB -0.024 37.921 38.000 -0.092 0.000 1.092 150 I HN 0.088 nan 8.210 nan 0.000 0.442 151 S N -1.119 114.551 115.700 -0.050 0.000 2.496 151 S HA -0.038 4.432 4.470 -0.001 0.000 0.224 151 S C 1.719 176.331 174.600 0.019 0.000 0.996 151 S CA 0.080 58.283 58.200 0.006 0.000 0.927 151 S CB -0.313 62.889 63.200 0.003 0.000 0.774 151 S HN 0.472 nan 8.310 nan 0.000 0.524 152 Q N 0.882 120.681 119.800 -0.002 0.000 2.245 152 Q HA 0.139 4.478 4.340 -0.001 0.000 0.201 152 Q C 2.226 178.232 176.000 0.010 0.000 0.955 152 Q CA 0.889 56.695 55.803 0.006 0.000 0.870 152 Q CB -0.333 28.401 28.738 -0.006 0.000 0.945 152 Q HN 0.554 nan 8.270 nan 0.000 0.461 153 V N -0.217 119.701 119.914 0.007 0.000 2.426 153 V HA -0.032 4.088 4.120 -0.001 0.000 0.242 153 V C 1.626 177.735 176.094 0.025 0.000 1.036 153 V CA 1.438 63.744 62.300 0.010 0.000 1.044 153 V CB 0.140 31.964 31.823 0.003 0.000 0.688 153 V HN 0.159 nan 8.190 nan 0.000 0.462 154 S N -1.186 114.540 115.700 0.043 0.000 2.559 154 S HA 0.528 4.997 4.470 -0.001 0.000 0.226 154 S C 0.678 175.353 174.600 0.125 0.000 1.000 154 S CA 0.542 58.789 58.200 0.078 0.000 0.948 154 S CB 0.755 64.012 63.200 0.095 0.000 0.870 154 S HN 0.922 nan 8.310 nan 0.000 0.497 155 G N 2.165 111.032 108.800 0.112 0.000 2.757 155 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.638 155 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.638 155 G C -0.164 174.858 174.900 0.203 0.000 1.344 155 G CA -0.543 44.652 45.100 0.158 0.000 0.855 155 G HN 0.847 nan 8.290 nan 0.000 0.537 156 S N -0.450 115.399 115.700 0.247 0.000 2.584 156 S HA 0.558 5.028 4.470 -0.001 0.000 0.270 156 S C 1.068 175.804 174.600 0.228 0.000 1.346 156 S CA 0.962 59.297 58.200 0.226 0.000 1.018 156 S CB 0.961 64.323 63.200 0.271 0.000 0.899 156 S HN 1.731 nan 8.310 nan 0.000 0.542 157 R N -0.416 120.125 120.500 0.068 0.000 3.651 157 R HA -0.117 4.222 4.340 -0.001 0.000 0.292 157 R C -0.586 175.764 176.300 0.084 0.000 1.161 157 R CA 0.807 56.860 56.100 -0.079 0.000 0.787 157 R CB -2.555 27.426 30.300 -0.532 0.000 1.249 157 R HN 0.704 nan 8.270 nan 0.000 0.476 158 S N -0.542 115.269 115.700 0.184 0.000 2.704 158 S HA 0.815 5.284 4.470 -0.001 0.000 0.305 158 S C -0.712 174.051 174.600 0.271 0.000 1.107 158 S CA -0.667 57.676 58.200 0.238 0.000 0.993 158 S CB 1.668 64.974 63.200 0.177 0.000 1.110 158 S HN 0.350 nan 8.310 nan 0.000 0.534 159 Y N -1.669 118.693 120.300 0.104 0.000 2.552 159 Y HA 0.796 5.346 4.550 -0.001 0.000 0.337 159 Y C -1.295 174.676 175.900 0.119 0.000 1.094 159 Y CA -1.440 56.737 58.100 0.129 0.000 1.028 159 Y CB 0.766 39.382 38.460 0.259 0.000 1.321 159 Y HN 0.746 nan 8.280 nan 0.000 0.456 160 A N 3.884 126.765 122.820 0.101 0.000 2.402 160 A HA 0.699 5.018 4.320 -0.001 0.000 0.291 160 A C -2.134 175.594 177.584 0.240 0.000 1.051 160 A CA -0.591 51.459 52.037 0.023 0.000 0.716 160 A CB 0.969 19.956 19.000 -0.022 0.000 1.223 160 A HN 0.611 nan 8.150 nan 0.000 0.425 161 L N 1.528 122.910 121.223 0.264 0.000 2.399 161 L HA 0.614 4.953 4.340 -0.001 0.000 0.265 161 L C 0.391 177.404 176.870 0.239 0.000 1.089 161 L CA 0.220 55.260 54.840 0.335 0.000 0.802 161 L CB 1.119 43.358 42.059 0.300 0.000 1.180 161 L HN 0.758 nan 8.230 nan 0.000 0.454 162 K N 0.046 120.614 120.400 0.279 0.000 2.443 162 K HA 0.740 5.059 4.320 -0.001 0.000 0.251 162 K C 0.177 176.923 176.600 0.243 0.000 0.972 162 K CA -0.322 56.106 56.287 0.235 0.000 0.833 162 K CB 1.761 34.415 32.500 0.256 0.000 1.317 162 K HN 0.707 nan 8.250 nan 0.000 0.441 163 G N 1.709 110.621 108.800 0.188 0.000 2.574 163 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.286 163 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.286 163 G C 0.433 175.384 174.900 0.084 0.000 1.212 163 G CA 0.670 45.882 45.100 0.186 0.000 0.979 163 G HN 0.720 nan 8.290 nan 0.000 0.557 164 D N -0.314 120.119 120.400 0.055 0.000 2.182 164 D HA -0.002 4.638 4.640 -0.001 0.000 0.201 164 D C 2.556 178.651 176.300 -0.342 0.000 0.986 164 D CA 1.328 55.251 54.000 -0.129 0.000 0.847 164 D CB -0.153 40.591 40.800 -0.093 0.000 0.942 164 D HN 0.281 nan 8.370 nan 0.000 0.467 165 L N 0.355 121.202 121.223 -0.626 0.000 2.093 165 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 165 L C 2.113 178.941 176.870 -0.071 0.000 1.085 165 L CA 1.310 55.886 54.840 -0.440 0.000 0.755 165 L CB -0.666 41.085 42.059 -0.514 0.000 0.904 165 L HN -0.033 nan 8.230 nan 0.000 0.435 166 A N -0.726 122.096 122.820 0.002 0.000 1.851 166 A HA -0.224 4.096 4.320 -0.001 0.000 0.216 166 A C 2.117 179.722 177.584 0.034 0.000 1.195 166 A CA 1.984 54.054 52.037 0.056 0.000 0.622 166 A CB -0.977 18.069 19.000 0.076 0.000 0.831 166 A HN 0.341 nan 8.150 nan 0.000 0.444 167 L N -1.690 119.548 121.223 0.026 0.000 2.051 167 L HA -0.209 4.130 4.340 -0.001 0.000 0.214 167 L C 2.414 179.332 176.870 0.080 0.000 1.076 167 L CA 1.902 56.764 54.840 0.038 0.000 0.758 167 L CB -1.485 40.591 42.059 0.028 0.000 0.890 167 L HN 0.587 nan 8.230 nan 0.000 0.433 168 Y N 0.616 120.847 120.300 -0.115 0.000 2.224 168 Y HA -0.259 4.291 4.550 -0.001 0.000 0.289 168 Y C 2.678 178.518 175.900 -0.100 0.000 1.146 168 Y CA 1.806 59.831 58.100 -0.126 0.000 1.182 168 Y CB -0.353 37.985 38.460 -0.203 0.000 0.983 168 Y HN 0.429 nan 8.280 nan 0.000 0.524 169 E N -0.255 119.916 120.200 -0.048 0.000 2.058 169 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 169 E C 2.120 178.635 176.600 -0.141 0.000 0.997 169 E CA 1.750 58.082 56.400 -0.114 0.000 0.801 169 E CB -0.317 29.381 29.700 -0.003 0.000 0.746 169 E HN 0.538 nan 8.360 nan 0.000 0.450 170 L N 0.133 121.296 121.223 -0.099 0.000 2.156 170 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 170 L C 2.681 179.501 176.870 -0.083 0.000 1.095 170 L CA 0.735 55.503 54.840 -0.121 0.000 0.770 170 L CB -0.473 41.540 42.059 -0.077 0.000 0.914 170 L HN 0.193 nan 8.230 nan 0.000 0.439 171 A N 0.587 123.391 122.820 -0.026 0.000 1.902 171 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 171 A C 2.277 179.776 177.584 -0.141 0.000 1.181 171 A CA 1.370 53.416 52.037 0.015 0.000 0.623 171 A CB -0.653 18.427 19.000 0.134 0.000 0.818 171 A HN 0.347 nan 8.150 nan 0.000 0.443 172 L N -0.744 120.356 121.223 -0.205 0.000 2.083 172 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 172 L C 2.536 179.364 176.870 -0.071 0.000 1.083 172 L CA 1.043 55.771 54.840 -0.187 0.000 0.752 172 L CB -0.517 41.356 42.059 -0.309 0.000 0.899 172 L HN 0.376 nan 8.230 nan 0.000 0.433 173 L N -0.852 120.297 121.223 -0.124 0.000 2.027 173 L HA -0.182 4.157 4.340 -0.001 0.000 0.206 173 L C 2.794 179.578 176.870 -0.144 0.000 1.074 173 L CA 0.908 55.664 54.840 -0.139 0.000 0.745 173 L CB -0.453 41.455 42.059 -0.251 0.000 0.898 173 L HN 0.161 nan 8.230 nan 0.000 0.433 174 R N 0.414 120.841 120.500 -0.122 0.000 2.091 174 R HA -0.243 4.096 4.340 -0.001 0.000 0.238 174 R C 2.233 178.506 176.300 -0.045 0.000 1.136 174 R CA 1.765 57.842 56.100 -0.037 0.000 0.959 174 R CB -0.907 29.453 30.300 0.100 0.000 0.856 174 R HN 0.302 nan 8.270 nan 0.000 0.437 175 F N 0.553 120.249 119.950 -0.424 0.000 2.091 175 F HA -0.152 4.374 4.527 -0.001 0.000 0.299 175 F C 1.904 177.605 175.800 -0.165 0.000 1.103 175 F CA 1.864 59.517 58.000 -0.578 0.000 1.228 175 F CB -0.846 37.643 39.000 -0.851 0.000 0.984 175 F HN 0.105 nan 8.300 nan 0.000 0.477 176 A N 0.800 123.339 122.820 -0.468 0.000 1.898 176 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 176 A C 2.241 179.697 177.584 -0.213 0.000 1.181 176 A CA 1.696 53.449 52.037 -0.474 0.000 0.620 176 A CB -0.698 18.175 19.000 -0.211 0.000 0.819 176 A HN 0.454 nan 8.150 nan 0.000 0.442 177 M N 0.146 119.679 119.600 -0.111 0.000 2.080 177 M HA -0.149 4.330 4.480 -0.001 0.000 0.260 177 M C 1.497 177.796 176.300 -0.002 0.000 1.068 177 M CA 1.589 56.874 55.300 -0.025 0.000 1.109 177 M CB -1.470 31.122 32.600 -0.014 0.000 1.342 177 M HN 0.356 nan 8.290 nan 0.000 0.405 178 D N -0.408 119.996 120.400 0.008 0.000 2.144 178 D HA -0.156 4.483 4.640 -0.001 0.000 0.199 178 D C 1.821 178.122 176.300 0.002 0.000 0.984 178 D CA 1.009 55.040 54.000 0.052 0.000 0.834 178 D CB -0.457 40.450 40.800 0.177 0.000 0.955 178 D HN 0.345 nan 8.370 nan 0.000 0.465 179 F N 0.904 120.721 119.950 -0.222 0.000 2.146 179 F HA -0.176 4.351 4.527 -0.001 0.000 0.298 179 F C 2.185 177.886 175.800 -0.165 0.000 1.096 179 F CA 1.066 58.923 58.000 -0.239 0.000 1.275 179 F CB 0.005 38.715 39.000 -0.483 0.000 1.008 179 F HN -0.197 nan 8.300 nan 0.000 0.480 180 M N 0.475 120.092 119.600 0.028 0.000 2.175 180 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 180 M C 2.575 178.868 176.300 -0.011 0.000 1.063 180 M CA 1.477 56.757 55.300 -0.033 0.000 1.119 180 M CB -1.954 30.637 32.600 -0.014 0.000 1.377 180 M HN 0.330 nan 8.290 nan 0.000 0.415 181 A N 0.425 123.249 122.820 0.006 0.000 1.883 181 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 181 A C 2.340 179.908 177.584 -0.028 0.000 1.186 181 A CA 1.683 53.736 52.037 0.027 0.000 0.624 181 A CB -0.704 18.310 19.000 0.024 0.000 0.822 181 A HN 0.463 nan 8.150 nan 0.000 0.444 182 R N -1.073 119.356 120.500 -0.119 0.000 2.189 182 R HA -0.006 4.333 4.340 -0.001 0.000 0.223 182 R C 1.679 177.868 176.300 -0.185 0.000 1.092 182 R CA 0.742 56.746 56.100 -0.160 0.000 0.989 182 R CB -0.143 30.012 30.300 -0.242 0.000 0.876 182 R HN 0.346 nan 8.270 nan 0.000 0.457 183 R N -0.242 120.128 120.500 -0.216 0.000 2.313 183 R HA 0.041 4.380 4.340 -0.001 0.000 0.199 183 R C 0.858 177.212 176.300 0.091 0.000 0.958 183 R CA 0.728 56.763 56.100 -0.109 0.000 1.047 183 R CB 0.472 30.681 30.300 -0.150 0.000 0.955 183 R HN 0.420 nan 8.270 nan 0.000 0.481 184 G N 1.013 109.854 108.800 0.069 0.000 2.143 184 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.248 184 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.248 184 G C -0.084 174.885 174.900 0.115 0.000 0.991 184 G CA -0.181 44.960 45.100 0.069 0.000 0.689 184 G HN 0.191 nan 8.290 nan 0.000 0.522 185 F N -0.641 119.296 119.950 -0.021 0.000 2.375 185 F HA 0.636 5.162 4.527 -0.001 0.000 0.333 185 F C 0.687 176.529 175.800 0.069 0.000 1.104 185 F CA -1.318 56.700 58.000 0.029 0.000 1.149 185 F CB 1.239 40.268 39.000 0.048 0.000 1.190 185 F HN 0.069 nan 8.300 nan 0.000 0.533 186 L N 6.619 127.994 121.223 0.254 0.000 2.278 186 L HA 0.448 4.787 4.340 -0.001 0.000 0.287 186 L C -2.423 174.582 176.870 0.225 0.000 1.072 186 L CA -2.077 52.899 54.840 0.227 0.000 0.819 186 L CB 0.087 42.318 42.059 0.287 0.000 1.176 186 L HN 0.233 nan 8.230 nan 0.000 0.435 187 P HA 0.228 nan 4.420 nan 0.000 0.271 187 P C -1.004 176.341 177.300 0.074 0.000 1.216 187 P CA 0.238 63.406 63.100 0.114 0.000 0.771 187 P CB 0.657 32.406 31.700 0.081 0.000 0.864 188 M N 1.453 121.091 119.600 0.063 0.000 2.531 188 M HA 0.403 4.882 4.480 -0.001 0.000 0.286 188 M C -0.314 176.023 176.300 0.060 0.000 1.232 188 M CA -0.479 54.828 55.300 0.012 0.000 0.877 188 M CB 2.907 35.452 32.600 -0.092 0.000 1.726 188 M HN 0.230 nan 8.290 nan 0.000 0.463 189 T N 0.621 115.209 114.554 0.056 0.000 2.829 189 T HA 0.891 5.240 4.350 -0.001 0.000 0.280 189 T C -0.751 173.952 174.700 0.005 0.000 0.999 189 T CA -0.768 61.401 62.100 0.116 0.000 0.983 189 T CB 1.301 70.279 68.868 0.184 0.000 0.968 189 T HN 0.586 nan 8.240 nan 0.000 0.446 190 L N 2.424 123.613 121.223 -0.057 0.000 2.376 190 L HA 0.649 4.988 4.340 -0.001 0.000 0.258 190 L C -2.260 174.508 176.870 -0.168 0.000 1.013 190 L CA -2.605 52.152 54.840 -0.138 0.000 0.822 190 L CB 2.595 44.543 42.059 -0.186 0.000 1.388 190 L HN 0.506 nan 8.230 nan 0.000 0.413 191 P HA 0.224 nan 4.420 nan 0.000 0.277 191 P C -0.460 176.663 177.300 -0.295 0.000 1.271 191 P CA -0.417 62.500 63.100 -0.304 0.000 0.795 191 P CB 0.858 32.163 31.700 -0.658 0.000 1.101 192 S N -1.119 114.476 115.700 -0.174 0.000 2.601 192 S HA 0.267 4.737 4.470 -0.001 0.000 0.244 192 S C -0.327 174.319 174.600 0.076 0.000 1.001 192 S CA -0.317 57.881 58.200 -0.003 0.000 0.984 192 S CB -0.884 62.472 63.200 0.260 0.000 0.842 192 S HN 0.535 nan 8.310 nan 0.000 0.474 193 Y N -1.565 118.742 120.300 0.011 0.000 2.615 193 Y HA 0.925 5.474 4.550 -0.001 0.000 0.341 193 Y C -0.666 175.269 175.900 0.057 0.000 1.089 193 Y CA -1.754 56.381 58.100 0.058 0.000 1.049 193 Y CB 0.725 39.191 38.460 0.010 0.000 1.296 193 Y HN 0.002 nan 8.280 nan 0.000 0.470 194 A N 1.369 124.385 122.820 0.325 0.000 2.586 194 A HA 0.702 5.022 4.320 -0.001 0.000 0.291 194 A C -1.310 176.516 177.584 0.403 0.000 1.062 194 A CA -1.459 50.702 52.037 0.206 0.000 0.666 194 A CB 1.351 20.322 19.000 -0.048 0.000 1.281 194 A HN 0.806 nan 8.150 nan 0.000 0.421 195 R N 0.249 120.923 120.500 0.290 0.000 2.580 195 R HA 0.307 4.646 4.340 -0.001 0.000 0.267 195 R C 0.883 177.409 176.300 0.377 0.000 1.125 195 R CA -0.227 56.081 56.100 0.348 0.000 1.188 195 R CB 0.535 30.961 30.300 0.210 0.000 1.155 195 R HN 0.936 nan 8.270 nan 0.000 0.586 196 E N 1.347 121.766 120.200 0.364 0.000 2.110 196 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 196 E C 1.792 178.477 176.600 0.142 0.000 0.988 196 E CA 1.349 57.875 56.400 0.209 0.000 0.804 196 E CB 0.123 29.995 29.700 0.287 0.000 0.745 196 E HN 0.446 nan 8.360 nan 0.000 0.458 197 K N 0.392 120.874 120.400 0.138 0.000 2.089 197 K HA -0.243 4.076 4.320 -0.001 0.000 0.210 197 K C 1.990 178.608 176.600 0.030 0.000 1.048 197 K CA 1.546 57.883 56.287 0.083 0.000 0.926 197 K CB -0.260 32.284 32.500 0.073 0.000 0.714 197 K HN 0.149 nan 8.250 nan 0.000 0.448 198 A N 0.457 123.265 122.820 -0.018 0.000 1.908 198 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 198 A C 1.934 179.367 177.584 -0.252 0.000 1.181 198 A CA 1.512 53.450 52.037 -0.166 0.000 0.627 198 A CB -0.804 18.023 19.000 -0.288 0.000 0.818 198 A HN 0.399 nan 8.150 nan 0.000 0.445 199 F N -0.256 119.514 119.950 -0.300 0.000 2.186 199 F HA -0.057 4.470 4.527 -0.001 0.000 0.299 199 F C 2.102 177.826 175.800 -0.125 0.000 1.090 199 F CA 1.151 58.897 58.000 -0.423 0.000 1.307 199 F CB -0.452 37.670 39.000 -1.464 0.000 1.019 199 F HN 0.088 nan 8.300 nan 0.000 0.489 200 L N -0.407 120.883 121.223 0.110 0.000 2.046 200 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 200 L C 2.759 179.679 176.870 0.084 0.000 1.077 200 L CA 1.502 56.430 54.840 0.146 0.000 0.747 200 L CB -1.286 40.845 42.059 0.120 0.000 0.896 200 L HN 0.252 nan 8.230 nan 0.000 0.432 201 G N -0.910 107.921 108.800 0.050 0.000 2.432 201 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.219 201 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.219 201 G C 1.653 176.605 174.900 0.088 0.000 1.135 201 G CA 1.293 46.416 45.100 0.038 0.000 0.767 201 G HN 0.469 nan 8.290 nan 0.000 0.550 202 T N -3.274 111.372 114.554 0.153 0.000 3.035 202 T HA 0.369 4.719 4.350 -0.001 0.000 0.259 202 T C 1.958 176.884 174.700 0.376 0.000 1.078 202 T CA 1.095 63.356 62.100 0.269 0.000 1.132 202 T CB 0.147 69.216 68.868 0.334 0.000 0.900 202 T HN 1.334 nan 8.240 nan 0.000 0.480 203 G N 0.624 109.630 108.800 0.343 0.000 2.179 203 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.220 203 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.220 203 G C 0.519 175.637 174.900 0.363 0.000 0.990 203 G CA 0.440 45.806 45.100 0.444 0.000 0.646 203 G HN 0.625 nan 8.290 nan 0.000 0.517 204 H N -0.644 118.681 119.070 0.425 0.000 2.353 204 H HA 0.226 4.781 4.556 -0.001 0.000 0.300 204 H C 0.893 176.626 175.328 0.674 0.000 1.090 204 H CA 1.709 58.093 56.048 0.560 0.000 1.327 204 H CB -0.024 30.048 29.762 0.516 0.000 1.383 204 H HN 0.365 nan 8.280 nan 0.000 0.508 205 F N 0.675 120.832 119.950 0.343 0.000 2.421 205 F HA 0.248 4.774 4.527 -0.001 0.000 0.337 205 F C -1.466 174.394 175.800 0.101 0.000 1.105 205 F CA -3.616 54.471 58.000 0.145 0.000 1.049 205 F CB 1.438 40.475 39.000 0.061 0.000 1.139 205 F HN -0.014 nan 8.300 nan 0.000 0.479 206 P HA 0.123 nan 4.420 nan 0.000 0.264 206 P C 1.064 178.357 177.300 -0.012 0.000 1.259 206 P CA 0.578 63.708 63.100 0.050 0.000 0.841 206 P CB 0.370 32.058 31.700 -0.020 0.000 1.232 207 A N 0.564 123.359 122.820 -0.041 0.000 1.915 207 A HA -0.212 4.107 4.320 -0.001 0.000 0.220 207 A C 1.057 178.382 177.584 -0.433 0.000 1.198 207 A CA 1.791 53.639 52.037 -0.315 0.000 0.647 207 A CB -1.788 16.863 19.000 -0.580 0.000 0.825 207 A HN 0.281 nan 8.150 nan 0.000 0.456 208 Y N -1.984 118.417 120.300 0.168 0.000 2.713 208 Y HA 0.400 4.949 4.550 -0.001 0.000 0.269 208 Y C 1.375 177.377 175.900 0.171 0.000 1.106 208 Y CA -0.262 57.938 58.100 0.168 0.000 1.174 208 Y CB -0.185 38.398 38.460 0.205 0.000 1.186 208 Y HN 0.320 nan 8.280 nan 0.000 0.555 209 R N 1.438 122.005 120.500 0.111 0.000 2.211 209 R HA -0.210 4.129 4.340 -0.001 0.000 0.240 209 R C 0.576 176.858 176.300 -0.030 0.000 1.144 209 R CA 2.367 58.348 56.100 -0.198 0.000 0.992 209 R CB -0.082 29.846 30.300 -0.620 0.000 0.869 209 R HN 0.562 nan 8.270 nan 0.000 0.462 210 D N -0.984 119.458 120.400 0.070 0.000 2.355 210 D HA -0.093 4.547 4.640 -0.001 0.000 0.218 210 D C 0.963 177.354 176.300 0.151 0.000 1.004 210 D CA 0.204 54.261 54.000 0.094 0.000 0.880 210 D CB 0.128 40.980 40.800 0.088 0.000 0.911 210 D HN 0.168 nan 8.370 nan 0.000 0.528 211 Q N 0.339 120.257 119.800 0.198 0.000 2.360 211 Q HA 0.176 4.515 4.340 -0.001 0.000 0.202 211 Q C -0.082 176.006 176.000 0.146 0.000 0.915 211 Q CA 0.107 56.014 55.803 0.174 0.000 0.943 211 Q CB 1.151 30.007 28.738 0.197 0.000 1.064 211 Q HN 0.264 nan 8.270 nan 0.000 0.511 212 V N 0.738 120.770 119.914 0.197 0.000 2.581 212 V HA 0.287 4.406 4.120 -0.001 0.000 0.303 212 V C -0.789 175.503 176.094 0.330 0.000 1.041 212 V CA -0.806 61.638 62.300 0.239 0.000 0.907 212 V CB 2.001 33.991 31.823 0.277 0.000 0.994 212 V HN 0.200 nan 8.190 nan 0.000 0.442 213 W N 3.108 124.510 121.300 0.170 0.000 2.349 213 W HA 0.730 5.389 4.660 -0.001 0.000 0.309 213 W C 0.302 176.876 176.519 0.092 0.000 1.083 213 W CA -1.148 56.258 57.345 0.102 0.000 1.224 213 W CB 1.303 30.797 29.460 0.057 0.000 1.256 213 W HN 0.661 nan 8.180 nan 0.000 0.461 214 A N 4.539 127.506 122.820 0.244 0.000 2.286 214 A HA 0.759 5.078 4.320 -0.001 0.000 0.286 214 A C -0.580 176.924 177.584 -0.134 0.000 1.097 214 A CA -0.534 51.507 52.037 0.007 0.000 0.821 214 A CB 0.589 19.557 19.000 -0.054 0.000 1.076 214 A HN 0.534 nan 8.150 nan 0.000 0.490 215 I N 1.397 121.819 120.570 -0.246 0.000 2.355 215 I HA 0.418 4.587 4.170 -0.001 0.000 0.288 215 I C 0.764 176.743 176.117 -0.230 0.000 0.999 215 I CA -0.247 60.912 61.300 -0.234 0.000 1.163 215 I CB 1.559 39.416 38.000 -0.237 0.000 1.316 215 I HN 0.738 nan 8.210 nan 0.000 0.454 216 A N 4.708 127.411 122.820 -0.196 0.000 2.483 216 A HA 0.184 4.503 4.320 -0.001 0.000 0.238 216 A C 0.764 178.260 177.584 -0.146 0.000 1.070 216 A CA 0.062 52.003 52.037 -0.161 0.000 0.770 216 A CB -0.092 18.823 19.000 -0.141 0.000 1.008 216 A HN 0.896 nan 8.150 nan 0.000 0.497 217 E N -0.733 119.393 120.200 -0.123 0.000 2.328 217 E HA -0.182 4.167 4.350 -0.001 0.000 0.233 217 E C -0.097 176.435 176.600 -0.113 0.000 1.219 217 E CA 1.236 57.574 56.400 -0.103 0.000 0.717 217 E CB -1.313 28.335 29.700 -0.087 0.000 1.210 217 E HN 0.690 nan 8.360 nan 0.000 0.381 218 T N -0.784 113.685 114.554 -0.142 0.000 2.843 218 T HA 0.190 4.539 4.350 -0.001 0.000 0.302 218 T C -0.434 174.167 174.700 -0.165 0.000 1.232 218 T CA -0.423 61.588 62.100 -0.149 0.000 1.009 218 T CB 1.153 69.909 68.868 -0.188 0.000 1.254 218 T HN 0.210 nan 8.240 nan 0.000 0.504 219 D N 1.474 121.802 120.400 -0.120 0.000 2.358 219 D HA 0.166 4.805 4.640 -0.001 0.000 0.224 219 D C 0.319 176.544 176.300 -0.125 0.000 1.123 219 D CA -0.030 53.916 54.000 -0.090 0.000 0.833 219 D CB -0.147 40.662 40.800 0.016 0.000 0.946 219 D HN 0.288 nan 8.370 nan 0.000 0.505 220 L N -0.195 120.881 121.223 -0.245 0.000 2.332 220 L HA 0.538 4.877 4.340 -0.001 0.000 0.269 220 L C -0.825 175.770 176.870 -0.458 0.000 1.016 220 L CA -1.193 53.559 54.840 -0.146 0.000 0.809 220 L CB 1.068 43.105 42.059 -0.038 0.000 1.280 220 L HN -0.157 nan 8.230 nan 0.000 0.447 221 Y N 0.084 120.471 120.300 0.145 0.000 2.562 221 Y HA 0.521 5.070 4.550 -0.001 0.000 0.345 221 Y C -0.486 175.553 175.900 0.231 0.000 1.045 221 Y CA -0.815 57.347 58.100 0.103 0.000 1.028 221 Y CB 1.550 39.919 38.460 -0.151 0.000 1.297 221 Y HN 0.264 nan 8.280 nan 0.000 0.463 222 L N 2.515 123.935 121.223 0.329 0.000 2.326 222 L HA 0.485 4.824 4.340 -0.001 0.000 0.278 222 L C 0.354 177.478 176.870 0.423 0.000 1.092 222 L CA -0.560 54.435 54.840 0.259 0.000 0.810 222 L CB 1.136 43.203 42.059 0.013 0.000 1.153 222 L HN 0.790 nan 8.230 nan 0.000 0.439 223 T N -1.126 113.637 114.554 0.348 0.000 2.875 223 T HA 0.347 4.696 4.350 -0.001 0.000 0.284 223 T C 0.976 175.756 174.700 0.133 0.000 0.995 223 T CA -0.360 61.880 62.100 0.234 0.000 1.060 223 T CB 1.737 70.559 68.868 -0.077 0.000 0.967 223 T HN 0.690 nan 8.240 nan 0.000 0.476 224 G N 0.295 109.129 108.800 0.057 0.000 3.042 224 G HA2 0.382 4.341 3.960 -0.001 0.000 0.212 224 G HA3 0.382 4.341 3.960 -0.001 0.000 0.212 224 G C 0.364 175.202 174.900 -0.103 0.000 1.166 224 G CA 0.340 45.443 45.100 0.005 0.000 0.767 224 G HN 1.063 nan 8.290 nan 0.000 0.546 225 T N -2.334 112.126 114.554 -0.156 0.000 3.087 225 T HA 0.455 4.804 4.350 -0.001 0.000 0.351 225 T C 1.012 175.601 174.700 -0.185 0.000 1.520 225 T CA 0.477 62.491 62.100 -0.142 0.000 1.111 225 T CB 0.935 69.786 68.868 -0.028 0.000 1.353 225 T HN 0.297 nan 8.240 nan 0.000 0.481 226 A N 2.270 124.990 122.820 -0.167 0.000 2.084 226 A HA -0.050 4.270 4.320 -0.001 0.000 0.221 226 A C 1.900 179.380 177.584 -0.174 0.000 1.161 226 A CA 2.199 54.128 52.037 -0.179 0.000 0.653 226 A CB -0.792 18.123 19.000 -0.142 0.000 0.802 226 A HN 0.943 nan 8.150 nan 0.000 0.457 227 E N 0.046 120.187 120.200 -0.099 0.000 2.219 227 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 227 E C 1.669 178.164 176.600 -0.175 0.000 0.998 227 E CA 1.605 57.971 56.400 -0.057 0.000 0.818 227 E CB -0.143 29.633 29.700 0.126 0.000 0.741 227 E HN 0.426 nan 8.360 nan 0.000 0.477 228 V N 0.206 119.950 119.914 -0.283 0.000 2.323 228 V HA -0.200 3.920 4.120 -0.001 0.000 0.244 228 V C 2.454 178.317 176.094 -0.385 0.000 1.041 228 V CA 1.263 63.306 62.300 -0.428 0.000 1.025 228 V CB -0.142 31.187 31.823 -0.823 0.000 0.656 228 V HN 0.172 nan 8.190 nan 0.000 0.451 229 V N -0.337 119.363 119.914 -0.356 0.000 2.343 229 V HA -0.224 3.895 4.120 -0.001 0.000 0.247 229 V C 2.412 178.327 176.094 -0.299 0.000 1.051 229 V CA 1.549 63.665 62.300 -0.307 0.000 1.036 229 V CB -0.576 31.072 31.823 -0.292 0.000 0.654 229 V HN 0.359 nan 8.190 nan 0.000 0.451 230 L N 0.467 121.480 121.223 -0.350 0.000 2.046 230 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 230 L C 2.290 178.821 176.870 -0.566 0.000 1.077 230 L CA 1.799 56.365 54.840 -0.456 0.000 0.747 230 L CB -1.641 40.100 42.059 -0.529 0.000 0.896 230 L HN 0.439 nan 8.230 nan 0.000 0.432 231 N N -0.433 117.922 118.700 -0.574 0.000 2.244 231 N HA -0.132 4.608 4.740 -0.001 0.000 0.183 231 N C 1.572 177.061 175.510 -0.035 0.000 1.016 231 N CA 1.168 54.088 53.050 -0.218 0.000 0.866 231 N CB 0.433 38.917 38.487 -0.005 0.000 0.980 231 N HN 0.340 nan 8.380 nan 0.000 0.430 232 A N 1.059 123.812 122.820 -0.112 0.000 2.072 232 A HA 0.102 4.422 4.320 -0.001 0.000 0.216 232 A C 2.294 179.828 177.584 -0.082 0.000 1.156 232 A CA -0.040 51.951 52.037 -0.075 0.000 0.701 232 A CB -0.317 18.610 19.000 -0.123 0.000 0.816 232 A HN 0.249 nan 8.150 nan 0.000 0.458 233 L N -0.621 120.516 121.223 -0.144 0.000 2.010 233 L HA -0.267 4.072 4.340 -0.001 0.000 0.219 233 L C 1.903 178.564 176.870 -0.349 0.000 1.077 233 L CA 1.600 56.273 54.840 -0.280 0.000 0.773 233 L CB -0.642 41.206 42.059 -0.352 0.000 0.892 233 L HN 0.546 nan 8.230 nan 0.000 0.436 234 H N -1.479 117.626 119.070 0.058 0.000 2.517 234 H HA 0.185 4.740 4.556 -0.001 0.000 0.282 234 H C 0.809 176.178 175.328 0.068 0.000 1.023 234 H CA -0.222 55.871 56.048 0.075 0.000 1.169 234 H CB 0.304 30.134 29.762 0.113 0.000 1.454 234 H HN 0.166 nan 8.280 nan 0.000 0.556 235 S N 0.085 115.856 115.700 0.118 0.000 2.626 235 S HA 0.126 4.596 4.470 -0.001 0.000 0.303 235 S C 1.432 176.082 174.600 0.082 0.000 1.256 235 S CA 1.076 59.334 58.200 0.097 0.000 1.069 235 S CB 0.191 63.423 63.200 0.054 0.000 0.807 235 S HN 0.862 nan 8.310 nan 0.000 0.500 236 G N 3.178 112.029 108.800 0.085 0.000 2.217 236 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.246 236 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.246 236 G C -0.074 174.861 174.900 0.059 0.000 0.990 236 G CA 0.220 45.356 45.100 0.061 0.000 0.627 236 G HN 0.641 nan 8.290 nan 0.000 0.522 237 E N 0.061 120.315 120.200 0.091 0.000 2.318 237 E HA 0.543 4.892 4.350 -0.001 0.000 0.265 237 E C -0.048 176.589 176.600 0.062 0.000 1.069 237 E CA -0.769 55.685 56.400 0.091 0.000 0.893 237 E CB 0.842 30.640 29.700 0.163 0.000 1.076 237 E HN 0.113 nan 8.360 nan 0.000 0.414 238 I N 3.508 124.103 120.570 0.041 0.000 2.371 238 I HA 0.198 4.367 4.170 -0.001 0.000 0.282 238 I C -0.229 175.914 176.117 0.043 0.000 1.031 238 I CA -0.338 60.972 61.300 0.018 0.000 1.180 238 I CB 0.143 38.137 38.000 -0.010 0.000 1.336 238 I HN 0.370 nan 8.210 nan 0.000 0.467 239 L N 8.344 129.604 121.223 0.060 0.000 2.380 239 L HA 0.308 4.647 4.340 -0.001 0.000 0.273 239 L C -1.826 175.092 176.870 0.079 0.000 1.138 239 L CA -1.509 53.358 54.840 0.045 0.000 0.832 239 L CB 0.376 42.428 42.059 -0.010 0.000 1.124 239 L HN 0.323 nan 8.230 nan 0.000 0.454 240 P HA -0.078 nan 4.420 nan 0.000 0.275 240 P C 0.057 177.412 177.300 0.091 0.000 1.227 240 P CA -0.190 62.959 63.100 0.082 0.000 0.781 240 P CB 0.641 32.369 31.700 0.047 0.000 0.906 241 Y N 3.621 123.950 120.300 0.048 0.000 2.207 241 Y HA -0.259 4.290 4.550 -0.001 0.000 0.287 241 Y C 2.068 177.938 175.900 -0.049 0.000 1.156 241 Y CA 2.133 60.252 58.100 0.033 0.000 1.182 241 Y CB -0.308 38.187 38.460 0.058 0.000 0.979 241 Y HN 0.382 nan 8.280 nan 0.000 0.521 242 E N -0.047 120.117 120.200 -0.060 0.000 2.347 242 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 242 E C 2.113 178.596 176.600 -0.195 0.000 1.008 242 E CA 0.924 57.244 56.400 -0.132 0.000 0.852 242 E CB -0.630 29.075 29.700 0.009 0.000 0.783 242 E HN 0.558 nan 8.360 nan 0.000 0.505 243 A N 0.987 123.701 122.820 -0.177 0.000 2.119 243 A HA 0.037 4.357 4.320 -0.001 0.000 0.217 243 A C 1.041 178.461 177.584 -0.272 0.000 1.153 243 A CA 0.252 52.181 52.037 -0.180 0.000 0.692 243 A CB -0.148 18.771 19.000 -0.134 0.000 0.799 243 A HN 0.086 nan 8.150 nan 0.000 0.458 244 L N 1.031 122.022 121.223 -0.386 0.000 2.350 244 L HA 0.382 4.721 4.340 -0.001 0.000 0.275 244 L C -1.899 174.727 176.870 -0.408 0.000 1.099 244 L CA -2.194 52.378 54.840 -0.447 0.000 0.808 244 L CB 0.444 42.129 42.059 -0.622 0.000 1.149 244 L HN 0.145 nan 8.230 nan 0.000 0.442 245 P HA 0.343 nan 4.420 nan 0.000 0.284 245 P C -1.064 175.998 177.300 -0.398 0.000 1.258 245 P CA -0.657 62.222 63.100 -0.368 0.000 0.824 245 P CB 1.089 32.593 31.700 -0.327 0.000 1.038 246 L N 2.637 123.591 121.223 -0.449 0.000 2.276 246 L HA 0.424 4.763 4.340 -0.001 0.000 0.286 246 L C 0.988 177.424 176.870 -0.723 0.000 1.061 246 L CA -0.310 54.164 54.840 -0.610 0.000 0.807 246 L CB 0.497 42.143 42.059 -0.688 0.000 1.177 246 L HN 0.240 nan 8.230 nan 0.000 0.429 247 R N 3.630 123.663 120.500 -0.779 0.000 2.422 247 R HA 0.456 4.795 4.340 -0.001 0.000 0.307 247 R C -1.670 174.392 176.300 -0.397 0.000 1.004 247 R CA -0.786 54.791 56.100 -0.872 0.000 0.882 247 R CB 1.674 31.123 30.300 -1.419 0.000 1.164 247 R HN 0.336 nan 8.270 nan 0.000 0.489 248 Y N 0.434 120.804 120.300 0.117 0.000 2.393 248 Y HA 0.492 5.041 4.550 -0.001 0.000 0.341 248 Y C 0.107 176.259 175.900 0.419 0.000 0.988 248 Y CA -1.636 56.617 58.100 0.256 0.000 1.078 248 Y CB 2.349 40.961 38.460 0.254 0.000 1.203 248 Y HN 0.611 nan 8.280 nan 0.000 0.453 249 A N 2.435 125.544 122.820 0.482 0.000 2.654 249 A HA 0.653 4.972 4.320 -0.001 0.000 0.345 249 A C 0.303 178.005 177.584 0.197 0.000 1.368 249 A CA -0.331 51.886 52.037 0.300 0.000 0.895 249 A CB -0.509 18.623 19.000 0.220 0.000 1.143 249 A HN 0.832 nan 8.150 nan 0.000 0.490 250 G N 0.603 109.499 108.800 0.161 0.000 2.332 250 G HA2 0.462 4.421 3.960 -0.001 0.000 0.310 250 G HA3 0.462 4.421 3.960 -0.001 0.000 0.310 250 G C -0.733 174.221 174.900 0.091 0.000 1.123 250 G CA -0.315 44.834 45.100 0.081 0.000 0.873 250 G HN 0.630 nan 8.290 nan 0.000 0.460 251 Y N 2.303 122.600 120.300 -0.005 0.000 2.320 251 Y HA 0.646 5.195 4.550 -0.001 0.000 0.334 251 Y C -0.058 175.833 175.900 -0.016 0.000 1.055 251 Y CA -0.907 57.192 58.100 -0.001 0.000 1.143 251 Y CB 1.431 39.900 38.460 0.015 0.000 1.193 251 Y HN 0.785 nan 8.280 nan 0.000 0.477 252 A N 7.211 129.398 122.820 -1.056 0.000 2.589 252 A HA 0.628 4.947 4.320 -0.001 0.000 0.296 252 A C -3.102 173.953 177.584 -0.882 0.000 1.062 252 A CA -1.851 49.620 52.037 -0.943 0.000 0.686 252 A CB 1.066 19.805 19.000 -0.435 0.000 1.282 252 A HN 0.543 nan 8.150 nan 0.000 0.404 253 P HA 0.366 nan 4.420 nan 0.000 0.265 253 P C -0.274 176.695 177.300 -0.551 0.000 1.187 253 P CA 0.473 63.244 63.100 -0.548 0.000 0.766 253 P CB 0.780 32.285 31.700 -0.325 0.000 0.820 254 A N 2.587 124.872 122.820 -0.892 0.000 2.401 254 A HA 0.800 5.120 4.320 -0.001 0.000 0.310 254 A C -1.334 175.683 177.584 -0.945 0.000 1.075 254 A CA -0.527 50.991 52.037 -0.865 0.000 0.746 254 A CB 0.817 18.991 19.000 -1.377 0.000 1.277 254 A HN 0.374 nan 8.150 nan 0.000 0.425 255 F N 0.976 120.769 119.950 -0.262 0.000 2.556 255 F HA 0.668 5.195 4.527 -0.001 0.000 0.314 255 F C 0.543 176.287 175.800 -0.093 0.000 1.106 255 F CA -0.328 57.619 58.000 -0.088 0.000 0.911 255 F CB 2.379 41.435 39.000 0.092 0.000 1.190 255 F HN 0.543 nan 8.300 nan 0.000 0.448 256 R N 0.462 120.950 120.500 -0.019 0.000 2.673 256 R HA 0.375 4.715 4.340 -0.001 0.000 0.281 256 R C 0.445 176.471 176.300 -0.456 0.000 0.991 256 R CA -0.506 55.532 56.100 -0.104 0.000 0.896 256 R CB 2.029 32.381 30.300 0.086 0.000 1.201 256 R HN 0.754 nan 8.270 nan 0.000 0.457 257 S N 0.763 116.178 115.700 -0.475 0.000 2.428 257 S HA -0.108 4.361 4.470 -0.001 0.000 0.230 257 S C 0.404 175.101 174.600 0.162 0.000 1.014 257 S CA 0.480 58.425 58.200 -0.425 0.000 0.957 257 S CB -0.090 63.074 63.200 -0.060 0.000 0.784 257 S HN 0.683 nan 8.310 nan 0.000 0.499 258 E N 0.635 120.912 120.200 0.130 0.000 2.389 258 E HA -0.163 4.186 4.350 -0.001 0.000 0.243 258 E C 0.066 176.890 176.600 0.373 0.000 1.154 258 E CA 0.840 57.353 56.400 0.188 0.000 0.723 258 E CB -2.249 27.477 29.700 0.044 0.000 1.261 258 E HN 0.809 nan 8.360 nan 0.000 0.390 259 A N -0.557 122.427 122.820 0.273 0.000 2.409 259 A HA 0.580 4.900 4.320 -0.001 0.000 0.262 259 A C 1.628 179.341 177.584 0.214 0.000 1.113 259 A CA 0.981 53.167 52.037 0.248 0.000 0.790 259 A CB 0.711 19.812 19.000 0.170 0.000 1.046 259 A HN 0.903 nan 8.150 nan 0.000 0.496 260 G N 1.270 110.201 108.800 0.220 0.000 2.399 260 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 260 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 260 G C 0.796 175.817 174.900 0.202 0.000 1.096 260 G CA 0.705 45.909 45.100 0.173 0.000 0.650 260 G HN 2.235 nan 8.290 nan 0.000 0.512 261 S N 0.442 116.279 115.700 0.228 0.000 3.170 261 S HA 0.743 5.212 4.470 -0.001 0.000 0.257 261 S C -0.696 173.969 174.600 0.108 0.000 1.284 261 S CA -0.594 57.680 58.200 0.124 0.000 0.973 261 S CB -0.328 62.881 63.200 0.015 0.000 1.330 261 S HN 0.521 nan 8.310 nan 0.000 0.493 262 F N 1.639 121.607 119.950 0.030 0.000 2.553 262 F HA 0.636 5.163 4.527 -0.001 0.000 0.335 262 F C 0.913 176.729 175.800 0.027 0.000 1.148 262 F CA -0.118 57.902 58.000 0.033 0.000 0.963 262 F CB 2.024 41.056 39.000 0.054 0.000 1.217 262 F HN 0.752 nan 8.300 nan 0.000 0.441 263 G N 3.041 111.880 108.800 0.065 0.000 2.151 263 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.156 263 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.156 263 G C -0.638 174.258 174.900 -0.007 0.000 1.017 263 G CA -0.242 44.885 45.100 0.045 0.000 0.686 263 G HN 0.686 nan 8.290 nan 0.000 0.503 264 K N 0.662 121.022 120.400 -0.067 0.000 2.535 264 K HA 0.499 4.818 4.320 -0.001 0.000 0.251 264 K C -0.303 176.219 176.600 -0.130 0.000 0.942 264 K CA -0.304 55.936 56.287 -0.079 0.000 0.798 264 K CB 1.029 33.490 32.500 -0.066 0.000 1.267 264 K HN -0.044 nan 8.250 nan 0.000 0.434 265 D N 3.282 123.622 120.400 -0.101 0.000 2.735 265 D HA -0.146 4.494 4.640 -0.001 0.000 0.235 265 D C 1.009 177.222 176.300 -0.146 0.000 1.175 265 D CA 1.206 55.139 54.000 -0.112 0.000 0.683 265 D CB -1.245 39.474 40.800 -0.136 0.000 1.008 265 D HN 0.446 nan 8.370 nan 0.000 0.416 266 V N -2.708 117.139 119.914 -0.113 0.000 2.500 266 V HA 0.094 4.214 4.120 -0.001 0.000 0.243 266 V C 1.159 177.229 176.094 -0.039 0.000 1.039 266 V CA 0.738 62.966 62.300 -0.120 0.000 1.053 266 V CB 0.065 31.844 31.823 -0.074 0.000 0.695 266 V HN 0.026 nan 8.190 nan 0.000 0.463 267 R N 0.612 121.113 120.500 0.000 0.000 2.428 267 R HA 0.663 5.002 4.340 -0.001 0.000 0.294 267 R C 0.400 176.738 176.300 0.063 0.000 1.000 267 R CA 1.057 57.195 56.100 0.063 0.000 0.960 267 R CB 1.113 31.456 30.300 0.072 0.000 1.076 267 R HN 0.872 nan 8.270 nan 0.000 0.475 268 G N 1.111 110.015 108.800 0.174 0.000 2.472 268 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.205 268 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.205 268 G C -0.236 174.783 174.900 0.198 0.000 1.270 268 G CA -0.487 44.682 45.100 0.116 0.000 0.974 268 G HN 0.482 nan 8.290 nan 0.000 0.542 269 L N 0.791 122.154 121.223 0.232 0.000 2.741 269 L HA 0.285 4.624 4.340 -0.001 0.000 0.237 269 L C 2.486 179.241 176.870 -0.193 0.000 1.178 269 L CA -0.274 54.529 54.840 -0.062 0.000 0.973 269 L CB -0.134 41.827 42.059 -0.164 0.000 1.255 269 L HN 0.421 nan 8.230 nan 0.000 0.498 270 M N -0.066 119.458 119.600 -0.127 0.000 2.236 270 M HA 0.037 4.517 4.480 -0.001 0.000 0.266 270 M C 0.944 177.091 176.300 -0.255 0.000 1.070 270 M CA 1.076 56.256 55.300 -0.200 0.000 1.137 270 M CB -0.408 32.109 32.600 -0.139 0.000 1.378 270 M HN 0.170 nan 8.290 nan 0.000 0.426 271 R N 0.905 121.264 120.500 -0.235 0.000 2.569 271 R HA 0.486 4.825 4.340 -0.001 0.000 0.293 271 R C -1.560 174.587 176.300 -0.255 0.000 1.186 271 R CA -0.285 55.648 56.100 -0.278 0.000 0.956 271 R CB 1.364 31.512 30.300 -0.253 0.000 1.196 271 R HN 0.016 nan 8.270 nan 0.000 0.444 272 V N 0.268 120.039 119.914 -0.237 0.000 3.074 272 V HA 0.492 4.612 4.120 -0.001 0.000 0.314 272 V C 0.550 176.617 176.094 -0.044 0.000 1.117 272 V CA -0.755 61.480 62.300 -0.109 0.000 1.014 272 V CB 1.999 33.875 31.823 0.087 0.000 1.057 272 V HN 0.757 nan 8.190 nan 0.000 0.438 273 H N 0.470 119.610 119.070 0.117 0.000 2.428 273 H HA 0.146 4.701 4.556 -0.001 0.000 0.296 273 H C 0.781 176.153 175.328 0.073 0.000 1.062 273 H CA 1.740 57.806 56.048 0.032 0.000 1.350 273 H CB 0.577 30.398 29.762 0.098 0.000 1.403 273 H HN 0.792 nan 8.280 nan 0.000 0.533 274 Q N -0.046 119.916 119.800 0.270 0.000 2.347 274 Q HA 0.432 4.771 4.340 -0.001 0.000 0.271 274 Q C -1.446 174.666 176.000 0.187 0.000 1.064 274 Q CA -0.747 55.026 55.803 -0.050 0.000 0.800 274 Q CB 1.879 30.455 28.738 -0.270 0.000 1.304 274 Q HN 0.074 nan 8.270 nan 0.000 0.438 275 F N -1.115 118.671 119.950 -0.273 0.000 3.016 275 F HA 0.595 5.121 4.527 -0.001 0.000 0.324 275 F C -1.422 174.191 175.800 -0.312 0.000 1.196 275 F CA -1.103 56.830 58.000 -0.112 0.000 0.929 275 F CB 1.200 40.181 39.000 -0.031 0.000 1.440 275 F HN 0.444 nan 8.300 nan 0.000 0.505 276 H N 0.821 120.005 119.070 0.190 0.000 2.538 276 H HA 0.523 5.078 4.556 -0.001 0.000 0.353 276 H C -1.356 174.051 175.328 0.133 0.000 1.109 276 H CA -0.879 55.227 56.048 0.096 0.000 1.192 276 H CB 2.365 32.287 29.762 0.268 0.000 1.555 276 H HN 0.609 nan 8.280 nan 0.000 0.518 277 K N 2.661 123.140 120.400 0.130 0.000 2.513 277 K HA 0.344 4.663 4.320 -0.001 0.000 0.251 277 K C -1.526 175.159 176.600 0.140 0.000 0.939 277 K CA -0.622 55.737 56.287 0.119 0.000 0.793 277 K CB 2.216 34.731 32.500 0.025 0.000 1.241 277 K HN 0.272 nan 8.250 nan 0.000 0.431 278 V N 2.935 122.941 119.914 0.154 0.000 2.407 278 V HA 0.334 4.454 4.120 -0.001 0.000 0.278 278 V C -0.296 175.839 176.094 0.068 0.000 1.037 278 V CA -0.529 61.852 62.300 0.135 0.000 0.900 278 V CB 1.281 33.167 31.823 0.106 0.000 0.983 278 V HN 0.757 nan 8.190 nan 0.000 0.459 279 E N 3.369 123.614 120.200 0.075 0.000 2.256 279 E HA 0.484 4.834 4.350 -0.001 0.000 0.267 279 E C -0.970 175.702 176.600 0.121 0.000 0.892 279 E CA -0.607 55.841 56.400 0.080 0.000 0.775 279 E CB 1.827 31.573 29.700 0.076 0.000 1.207 279 E HN 0.670 nan 8.360 nan 0.000 0.420 280 Q N 2.310 122.182 119.800 0.119 0.000 2.271 280 Q HA 0.426 4.765 4.340 -0.001 0.000 0.258 280 Q C -1.234 174.966 176.000 0.333 0.000 0.936 280 Q CA -0.853 55.059 55.803 0.182 0.000 0.909 280 Q CB 2.056 30.785 28.738 -0.015 0.000 1.253 280 Q HN 0.574 nan 8.270 nan 0.000 0.440 281 Y N 1.291 121.780 120.300 0.314 0.000 2.421 281 Y HA 0.552 5.101 4.550 -0.001 0.000 0.339 281 Y C -1.765 174.234 175.900 0.165 0.000 0.996 281 Y CA -0.794 57.444 58.100 0.230 0.000 1.046 281 Y CB 1.377 39.983 38.460 0.245 0.000 1.226 281 Y HN 0.430 nan 8.280 nan 0.000 0.445 282 V N 7.337 126.894 119.914 -0.596 0.000 2.709 282 V HA 0.522 4.642 4.120 -0.001 0.000 0.308 282 V C -1.200 174.503 176.094 -0.653 0.000 1.062 282 V CA -0.919 61.087 62.300 -0.490 0.000 0.901 282 V CB 2.036 33.727 31.823 -0.220 0.000 1.003 282 V HN 0.784 nan 8.190 nan 0.000 0.425 283 L N 3.701 124.643 121.223 -0.468 0.000 2.409 283 L HA 0.846 5.186 4.340 -0.001 0.000 0.272 283 L C -0.464 176.241 176.870 -0.275 0.000 0.980 283 L CA 0.374 55.034 54.840 -0.301 0.000 0.826 283 L CB 2.133 44.101 42.059 -0.152 0.000 1.268 283 L HN 0.793 nan 8.230 nan 0.000 0.407 284 T N 1.949 116.372 114.554 -0.218 0.000 2.864 284 T HA 0.316 4.665 4.350 -0.001 0.000 0.289 284 T C -1.139 173.305 174.700 -0.427 0.000 1.082 284 T CA -0.677 61.253 62.100 -0.284 0.000 1.009 284 T CB 1.687 70.447 68.868 -0.180 0.000 1.234 284 T HN 0.728 nan 8.240 nan 0.000 0.526 285 E N 0.655 120.526 120.200 -0.547 0.000 2.418 285 E HA 0.414 4.763 4.350 -0.001 0.000 0.261 285 E C -0.218 176.048 176.600 -0.556 0.000 1.070 285 E CA -0.750 55.206 56.400 -0.740 0.000 0.931 285 E CB 0.469 29.888 29.700 -0.469 0.000 0.954 285 E HN 0.634 nan 8.360 nan 0.000 0.439 286 A N 2.823 125.361 122.820 -0.470 0.000 2.655 286 A HA 0.238 4.557 4.320 -0.001 0.000 0.297 286 A C -0.086 177.092 177.584 -0.677 0.000 1.461 286 A CA 0.252 51.609 52.037 -1.133 0.000 1.146 286 A CB -0.644 18.063 19.000 -0.489 0.000 1.108 286 A HN 0.484 nan 8.150 nan 0.000 0.550 287 S N 2.477 117.828 115.700 -0.581 0.000 2.592 287 S HA 0.377 4.846 4.470 -0.001 0.000 0.275 287 S C 0.584 175.238 174.600 0.089 0.000 1.169 287 S CA -0.703 57.431 58.200 -0.111 0.000 0.958 287 S CB 0.482 63.628 63.200 -0.090 0.000 1.095 287 S HN 0.508 nan 8.310 nan 0.000 0.471 288 L N 3.298 124.589 121.223 0.113 0.000 2.079 288 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 288 L C 2.606 179.501 176.870 0.041 0.000 1.081 288 L CA 1.902 56.778 54.840 0.059 0.000 0.752 288 L CB -0.330 41.750 42.059 0.035 0.000 0.896 288 L HN 0.863 nan 8.230 nan 0.000 0.433 289 E N 0.178 120.398 120.200 0.034 0.000 2.038 289 E HA -0.273 4.076 4.350 -0.001 0.000 0.195 289 E C 2.214 178.821 176.600 0.012 0.000 1.000 289 E CA 1.519 57.932 56.400 0.022 0.000 0.803 289 E CB -0.061 29.648 29.700 0.015 0.000 0.750 289 E HN 0.455 nan 8.360 nan 0.000 0.448 290 A N 0.182 123.000 122.820 -0.004 0.000 1.902 290 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 290 A C 2.346 179.932 177.584 0.004 0.000 1.181 290 A CA 1.956 53.977 52.037 -0.027 0.000 0.623 290 A CB -0.912 18.036 19.000 -0.086 0.000 0.818 290 A HN 0.340 nan 8.150 nan 0.000 0.443 291 S N -0.371 115.359 115.700 0.051 0.000 2.368 291 S HA -0.171 4.299 4.470 -0.001 0.000 0.224 291 S C 1.642 176.275 174.600 0.056 0.000 1.029 291 S CA 1.647 59.884 58.200 0.063 0.000 0.988 291 S CB -0.512 62.722 63.200 0.057 0.000 0.838 291 S HN 0.565 nan 8.310 nan 0.000 0.462 292 D N 0.951 121.366 120.400 0.025 0.000 2.144 292 D HA -0.030 4.609 4.640 -0.001 0.000 0.200 292 D C 2.280 178.625 176.300 0.075 0.000 0.978 292 D CA 0.899 54.910 54.000 0.018 0.000 0.833 292 D CB -0.280 40.519 40.800 -0.002 0.000 0.961 292 D HN 0.431 nan 8.370 nan 0.000 0.470 293 R N 0.585 121.117 120.500 0.053 0.000 2.075 293 R HA 0.054 4.394 4.340 -0.001 0.000 0.232 293 R C 2.274 178.615 176.300 0.068 0.000 1.126 293 R CA 1.061 57.191 56.100 0.052 0.000 0.963 293 R CB -0.244 30.069 30.300 0.021 0.000 0.858 293 R HN 0.087 nan 8.270 nan 0.000 0.435 294 A N 0.701 123.557 122.820 0.060 0.000 1.972 294 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 294 A C 1.911 179.559 177.584 0.107 0.000 1.169 294 A CA 1.076 53.149 52.037 0.061 0.000 0.635 294 A CB -0.532 18.477 19.000 0.014 0.000 0.810 294 A HN 0.362 nan 8.150 nan 0.000 0.446 295 F N 0.260 120.196 119.950 -0.024 0.000 2.163 295 F HA -0.125 4.402 4.527 -0.001 0.000 0.297 295 F C 2.480 178.260 175.800 -0.034 0.000 1.094 295 F CA 1.794 59.772 58.000 -0.036 0.000 1.290 295 F CB -0.076 38.880 39.000 -0.073 0.000 1.017 295 F HN 0.166 nan 8.300 nan 0.000 0.483 296 Q N 0.595 120.524 119.800 0.216 0.000 2.084 296 Q HA -0.251 4.089 4.340 -0.001 0.000 0.202 296 Q C 2.193 178.199 176.000 0.010 0.000 0.978 296 Q CA 1.985 57.855 55.803 0.112 0.000 0.844 296 Q CB -0.742 28.064 28.738 0.113 0.000 0.898 296 Q HN 0.707 nan 8.270 nan 0.000 0.426 297 E N 0.292 120.510 120.200 0.030 0.000 2.077 297 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 297 E C 1.873 178.456 176.600 -0.029 0.000 0.989 297 E CA 0.625 57.042 56.400 0.028 0.000 0.800 297 E CB -0.081 29.672 29.700 0.089 0.000 0.746 297 E HN 0.084 nan 8.360 nan 0.000 0.452 298 L N 0.538 121.722 121.223 -0.066 0.000 2.012 298 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 298 L C 2.417 179.134 176.870 -0.255 0.000 1.073 298 L CA 1.357 56.098 54.840 -0.166 0.000 0.748 298 L CB -1.018 40.921 42.059 -0.200 0.000 0.891 298 L HN 0.326 nan 8.230 nan 0.000 0.431 299 L N -0.573 120.459 121.223 -0.318 0.000 1.994 299 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 299 L C 2.478 179.220 176.870 -0.213 0.000 1.071 299 L CA 1.674 56.327 54.840 -0.312 0.000 0.745 299 L CB -0.642 41.241 42.059 -0.293 0.000 0.892 299 L HN 0.350 nan 8.230 nan 0.000 0.431 300 E N -0.717 119.409 120.200 -0.124 0.000 2.077 300 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 300 E C 1.934 178.488 176.600 -0.076 0.000 0.989 300 E CA 1.431 57.788 56.400 -0.071 0.000 0.800 300 E CB -0.294 29.400 29.700 -0.009 0.000 0.746 300 E HN 0.633 nan 8.360 nan 0.000 0.452 301 N N 0.672 119.330 118.700 -0.070 0.000 2.036 301 N HA -0.237 4.503 4.740 -0.001 0.000 0.195 301 N C 1.983 177.354 175.510 -0.232 0.000 1.037 301 N CA 1.118 54.153 53.050 -0.025 0.000 0.855 301 N CB -0.199 38.230 38.487 -0.097 0.000 1.033 301 N HN 0.113 nan 8.380 nan 0.000 0.423 302 A N 1.439 124.063 122.820 -0.327 0.000 1.902 302 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 302 A C 1.967 179.174 177.584 -0.628 0.000 1.181 302 A CA 1.406 53.123 52.037 -0.534 0.000 0.623 302 A CB -0.470 18.137 19.000 -0.656 0.000 0.818 302 A HN 0.326 nan 8.150 nan 0.000 0.443 303 E N -0.829 119.062 120.200 -0.516 0.000 2.110 303 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 303 E C 2.015 178.438 176.600 -0.295 0.000 0.988 303 E CA 1.379 57.460 56.400 -0.532 0.000 0.804 303 E CB -0.102 29.448 29.700 -0.249 0.000 0.745 303 E HN 0.759 nan 8.360 nan 0.000 0.458 304 E N 1.154 121.239 120.200 -0.191 0.000 2.216 304 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 304 E C 1.810 178.260 176.600 -0.249 0.000 0.988 304 E CA 0.554 56.898 56.400 -0.093 0.000 0.834 304 E CB -0.097 29.651 29.700 0.081 0.000 0.772 304 E HN 0.226 nan 8.360 nan 0.000 0.479 305 I N 0.213 120.478 120.570 -0.509 0.000 2.179 305 I HA -0.260 3.910 4.170 -0.001 0.000 0.242 305 I C 2.113 178.155 176.117 -0.125 0.000 1.088 305 I CA 0.930 61.955 61.300 -0.459 0.000 1.357 305 I CB -0.178 37.476 38.000 -0.576 0.000 1.051 305 I HN 0.199 nan 8.210 nan 0.000 0.409 306 L N -0.096 121.012 121.223 -0.192 0.000 2.056 306 L HA -0.198 4.142 4.340 -0.001 0.000 0.207 306 L C 2.758 179.672 176.870 0.075 0.000 1.078 306 L CA 1.173 55.968 54.840 -0.074 0.000 0.749 306 L CB -0.632 41.282 42.059 -0.242 0.000 0.901 306 L HN 0.187 nan 8.230 nan 0.000 0.433 307 R N 0.035 120.595 120.500 0.100 0.000 2.083 307 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 307 R C 2.273 178.642 176.300 0.115 0.000 1.137 307 R CA 1.430 57.630 56.100 0.167 0.000 0.951 307 R CB -0.213 30.188 30.300 0.168 0.000 0.851 307 R HN 0.184 nan 8.270 nan 0.000 0.434 308 L N 0.569 121.851 121.223 0.098 0.000 2.131 308 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 308 L C 1.937 178.832 176.870 0.042 0.000 1.092 308 L CA 1.366 56.273 54.840 0.111 0.000 0.759 308 L CB -0.693 41.502 42.059 0.226 0.000 0.903 308 L HN 0.218 nan 8.230 nan 0.000 0.435 309 L N -0.314 120.936 121.223 0.045 0.000 2.554 309 L HA 0.012 4.351 4.340 -0.001 0.000 0.226 309 L C 0.819 177.795 176.870 0.177 0.000 1.137 309 L CA 0.458 55.318 54.840 0.032 0.000 0.863 309 L CB -0.925 41.143 42.059 0.016 0.000 0.985 309 L HN 0.390 nan 8.230 nan 0.000 0.451 310 E N -0.096 120.201 120.200 0.161 0.000 2.340 310 E HA -0.230 4.119 4.350 -0.001 0.000 0.240 310 E C -0.426 176.336 176.600 0.270 0.000 1.154 310 E CA 0.123 56.652 56.400 0.215 0.000 0.717 310 E CB -1.627 28.188 29.700 0.193 0.000 1.250 310 E HN 0.301 nan 8.360 nan 0.000 0.386 311 L N 0.912 122.244 121.223 0.181 0.000 2.356 311 L HA 0.471 4.811 4.340 -0.001 0.000 0.277 311 L C -2.081 174.912 176.870 0.204 0.000 0.996 311 L CA -2.243 52.679 54.840 0.136 0.000 0.822 311 L CB 1.406 43.514 42.059 0.082 0.000 1.256 311 L HN -0.142 nan 8.230 nan 0.000 0.413 312 P HA 0.151 nan 4.420 nan 0.000 0.271 312 P C -1.582 175.908 177.300 0.318 0.000 1.220 312 P CA 0.159 63.341 63.100 0.137 0.000 0.768 312 P CB 0.357 32.101 31.700 0.073 0.000 0.848 313 Y N 1.351 121.782 120.300 0.218 0.000 2.644 313 Y HA 0.807 5.357 4.550 -0.001 0.000 0.338 313 Y C -0.583 175.339 175.900 0.038 0.000 1.119 313 Y CA -1.504 56.724 58.100 0.213 0.000 1.060 313 Y CB 1.746 40.257 38.460 0.086 0.000 1.294 313 Y HN 0.502 nan 8.280 nan 0.000 0.472 314 R N 1.114 121.687 120.500 0.121 0.000 2.774 314 R HA 0.780 5.119 4.340 -0.001 0.000 0.272 314 R C -2.491 173.844 176.300 0.058 0.000 1.000 314 R CA -1.009 55.021 56.100 -0.118 0.000 0.906 314 R CB 1.761 31.718 30.300 -0.571 0.000 1.227 314 R HN 0.610 nan 8.270 nan 0.000 0.468 315 L N 1.315 122.556 121.223 0.030 0.000 2.334 315 L HA 0.571 4.910 4.340 -0.001 0.000 0.276 315 L C -0.883 175.991 176.870 0.007 0.000 1.014 315 L CA -0.788 54.077 54.840 0.042 0.000 0.815 315 L CB 2.316 44.416 42.059 0.069 0.000 1.268 315 L HN 0.517 nan 8.230 nan 0.000 0.428 316 V N 2.367 122.296 119.914 0.024 0.000 2.483 316 V HA 0.359 4.478 4.120 -0.001 0.000 0.297 316 V C -0.103 176.027 176.094 0.059 0.000 1.027 316 V CA -0.896 61.419 62.300 0.024 0.000 0.855 316 V CB 1.675 33.507 31.823 0.014 0.000 0.995 316 V HN 0.580 nan 8.190 nan 0.000 0.424 317 E N 3.296 123.537 120.200 0.069 0.000 2.265 317 E HA 0.180 4.529 4.350 -0.001 0.000 0.272 317 E C -0.525 176.124 176.600 0.081 0.000 1.067 317 E CA 0.009 56.471 56.400 0.104 0.000 0.900 317 E CB 1.529 31.298 29.700 0.114 0.000 1.017 317 E HN 0.482 nan 8.360 nan 0.000 0.431 318 V N 3.380 123.350 119.914 0.093 0.000 2.555 318 V HA 0.161 4.281 4.120 -0.001 0.000 0.286 318 V C 0.776 176.898 176.094 0.047 0.000 1.044 318 V CA -0.527 61.810 62.300 0.061 0.000 1.026 318 V CB 1.011 32.870 31.823 0.060 0.000 0.981 318 V HN 0.703 nan 8.190 nan 0.000 0.480 319 A N 3.976 126.805 122.820 0.015 0.000 2.386 319 A HA 0.386 4.706 4.320 -0.001 0.000 0.248 319 A C 1.680 179.251 177.584 -0.021 0.000 1.082 319 A CA 0.332 52.359 52.037 -0.015 0.000 0.789 319 A CB 0.183 19.171 19.000 -0.021 0.000 1.025 319 A HN 1.162 nan 8.150 nan 0.000 0.490 320 T N 0.389 114.913 114.554 -0.051 0.000 2.620 320 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 320 T C 1.739 176.421 174.700 -0.031 0.000 1.044 320 T CA 1.962 64.029 62.100 -0.055 0.000 1.161 320 T CB -1.056 67.762 68.868 -0.084 0.000 0.862 320 T HN 1.169 nan 8.240 nan 0.000 0.438 321 G N 0.498 109.284 108.800 -0.024 0.000 2.708 321 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.210 321 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.210 321 G C 1.061 175.963 174.900 0.004 0.000 1.141 321 G CA 0.875 45.971 45.100 -0.008 0.000 0.788 321 G HN 0.646 nan 8.290 nan 0.000 0.531 322 D N -0.674 119.728 120.400 0.004 0.000 2.514 322 D HA 0.055 4.695 4.640 -0.001 0.000 0.225 322 D C 2.467 178.780 176.300 0.021 0.000 1.159 322 D CA -0.082 53.928 54.000 0.017 0.000 0.823 322 D CB -0.037 40.772 40.800 0.016 0.000 1.097 322 D HN 0.329 nan 8.370 nan 0.000 0.519 323 M N -1.390 118.216 119.600 0.010 0.000 2.419 323 M HA 0.357 4.837 4.480 -0.001 0.000 0.264 323 M C 0.961 177.260 176.300 -0.000 0.000 1.082 323 M CA 0.886 56.192 55.300 0.009 0.000 1.119 323 M CB 0.214 32.817 32.600 0.005 0.000 1.398 323 M HN -0.072 nan 8.290 nan 0.000 0.453 324 G N 0.893 109.693 108.800 -0.000 0.000 2.570 324 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.686 324 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.686 324 G C -2.819 172.011 174.900 -0.117 0.000 1.257 324 G CA -0.538 44.564 45.100 0.004 0.000 0.846 324 G HN 0.063 nan 8.290 nan 0.000 0.627 325 P HA 0.067 nan 4.420 nan 0.000 0.220 325 P C 1.613 178.547 177.300 -0.610 0.000 1.152 325 P CA 1.894 64.850 63.100 -0.240 0.000 0.812 325 P CB 0.109 31.755 31.700 -0.091 0.000 0.792 326 G N -0.767 107.315 108.800 -1.196 0.000 3.088 326 G HA2 0.026 3.986 3.960 -0.001 0.000 0.217 326 G HA3 0.026 3.986 3.960 -0.001 0.000 0.217 326 G C 0.419 174.810 174.900 -0.848 0.000 1.159 326 G CA -0.043 43.764 45.100 -2.155 0.000 0.760 326 G HN 0.141 nan 8.290 nan 0.000 0.550 327 K N 0.013 120.165 120.400 -0.414 0.000 2.326 327 K HA 0.170 4.489 4.320 -0.001 0.000 0.275 327 K C 0.543 177.155 176.600 0.022 0.000 1.018 327 K CA -0.793 55.421 56.287 -0.122 0.000 0.962 327 K CB 1.025 33.490 32.500 -0.058 0.000 0.953 327 K HN 0.265 nan 8.250 nan 0.000 0.475 328 W N 3.684 124.912 121.300 -0.119 0.000 2.539 328 W HA 0.087 4.746 4.660 -0.001 0.000 0.299 328 W C -0.111 176.380 176.519 -0.046 0.000 1.165 328 W CA 0.600 57.893 57.345 -0.086 0.000 1.400 328 W CB 0.586 29.953 29.460 -0.154 0.000 1.123 328 W HN 0.276 nan 8.180 nan 0.000 0.533 329 R N 1.290 121.728 120.500 -0.103 0.000 2.686 329 R HA 0.247 4.586 4.340 -0.001 0.000 0.283 329 R C -1.426 174.880 176.300 0.009 0.000 0.978 329 R CA -0.431 55.465 56.100 -0.340 0.000 0.897 329 R CB 2.216 31.866 30.300 -1.083 0.000 1.192 329 R HN 0.079 nan 8.270 nan 0.000 0.457 330 Q N 2.645 122.503 119.800 0.095 0.000 2.274 330 Q HA 0.408 4.747 4.340 -0.001 0.000 0.268 330 Q C -1.689 174.439 176.000 0.213 0.000 1.015 330 Q CA -0.609 55.308 55.803 0.190 0.000 0.775 330 Q CB 2.365 31.167 28.738 0.106 0.000 1.256 330 Q HN 0.324 nan 8.270 nan 0.000 0.442 331 V N 3.993 124.065 119.914 0.263 0.000 2.409 331 V HA 0.312 4.431 4.120 -0.001 0.000 0.291 331 V C -0.707 175.427 176.094 0.067 0.000 1.020 331 V CA -0.721 61.681 62.300 0.171 0.000 0.848 331 V CB 1.776 33.728 31.823 0.216 0.000 0.990 331 V HN 0.774 nan 8.190 nan 0.000 0.430 332 D N 4.221 124.655 120.400 0.056 0.000 2.264 332 D HA 0.557 5.197 4.640 -0.001 0.000 0.249 332 D C -0.251 176.066 176.300 0.029 0.000 1.070 332 D CA 0.037 54.060 54.000 0.038 0.000 0.912 332 D CB 1.936 42.758 40.800 0.038 0.000 1.193 332 D HN 0.325 nan 8.370 nan 0.000 0.427 333 I N 1.484 122.073 120.570 0.032 0.000 2.433 333 I HA 0.277 4.446 4.170 -0.001 0.000 0.292 333 I C 0.176 176.351 176.117 0.097 0.000 1.001 333 I CA -0.603 60.712 61.300 0.024 0.000 1.119 333 I CB 1.479 39.408 38.000 -0.117 0.000 1.289 333 I HN 0.101 nan 8.210 nan 0.000 0.438 334 E N 4.943 125.226 120.200 0.138 0.000 2.317 334 E HA 0.638 4.987 4.350 -0.001 0.000 0.270 334 E C -1.479 175.337 176.600 0.359 0.000 0.885 334 E CA -0.863 55.657 56.400 0.200 0.000 0.760 334 E CB 3.437 33.258 29.700 0.202 0.000 1.227 334 E HN 0.180 nan 8.360 nan 0.000 0.434 335 V N 2.178 122.281 119.914 0.314 0.000 2.604 335 V HA 0.178 4.297 4.120 -0.001 0.000 0.305 335 V C -1.034 175.146 176.094 0.144 0.000 1.043 335 V CA -0.862 61.622 62.300 0.307 0.000 0.888 335 V CB 1.356 33.265 31.823 0.142 0.000 0.995 335 V HN 0.629 nan 8.190 nan 0.000 0.429 336 Y N 4.933 125.137 120.300 -0.160 0.000 2.465 336 Y HA 0.437 4.986 4.550 -0.001 0.000 0.331 336 Y C -0.331 175.413 175.900 -0.261 0.000 1.102 336 Y CA -0.194 57.574 58.100 -0.553 0.000 1.358 336 Y CB 0.970 38.996 38.460 -0.724 0.000 1.213 336 Y HN 0.545 nan 8.280 nan 0.000 0.525 337 L N 10.681 131.427 121.223 -0.795 0.000 2.295 337 L HA 0.477 4.817 4.340 -0.001 0.000 0.281 337 L C -2.227 174.207 176.870 -0.726 0.000 1.018 337 L CA -2.391 52.126 54.840 -0.537 0.000 0.841 337 L CB 1.525 43.364 42.059 -0.366 0.000 1.218 337 L HN 0.437 nan 8.230 nan 0.000 0.424 338 P HA -0.149 nan 4.420 nan 0.000 0.215 338 P C 1.583 178.779 177.300 -0.174 0.000 1.153 338 P CA 1.689 64.671 63.100 -0.197 0.000 0.853 338 P CB 0.232 32.021 31.700 0.149 0.000 0.788 339 S N -0.460 115.153 115.700 -0.145 0.000 2.400 339 S HA -0.196 4.273 4.470 -0.001 0.000 0.232 339 S C 1.841 176.372 174.600 -0.114 0.000 1.025 339 S CA 1.301 59.438 58.200 -0.104 0.000 0.993 339 S CB -1.098 62.060 63.200 -0.069 0.000 0.808 339 S HN 0.231 nan 8.310 nan 0.000 0.478 340 E N 0.540 120.636 120.200 -0.172 0.000 2.447 340 E HA 0.249 4.598 4.350 -0.001 0.000 0.195 340 E C 1.155 177.650 176.600 -0.175 0.000 1.028 340 E CA 0.186 56.491 56.400 -0.158 0.000 0.876 340 E CB -0.045 29.555 29.700 -0.167 0.000 0.885 340 E HN 0.719 nan 8.360 nan 0.000 0.500 341 G N 2.676 111.323 108.800 -0.256 0.000 2.179 341 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.257 341 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.257 341 G C 0.144 174.953 174.900 -0.152 0.000 1.010 341 G CA 0.994 46.006 45.100 -0.147 0.000 0.736 341 G HN 0.351 nan 8.290 nan 0.000 0.513 342 R N -2.194 118.046 120.500 -0.433 0.000 2.716 342 R HA 0.605 4.945 4.340 -0.001 0.000 0.271 342 R C -0.985 175.110 176.300 -0.342 0.000 1.028 342 R CA -1.233 54.750 56.100 -0.195 0.000 0.883 342 R CB 0.823 31.100 30.300 -0.038 0.000 1.250 342 R HN 0.088 nan 8.270 nan 0.000 0.465 343 Y N 0.788 121.101 120.300 0.023 0.000 2.309 343 Y HA 0.396 4.945 4.550 -0.001 0.000 0.327 343 Y C 0.364 176.248 175.900 -0.026 0.000 1.172 343 Y CA -0.194 57.928 58.100 0.038 0.000 1.280 343 Y CB 0.897 39.421 38.460 0.107 0.000 1.234 343 Y HN 0.172 nan 8.280 nan 0.000 0.512 344 R N 2.051 122.600 120.500 0.082 0.000 2.561 344 R HA 0.188 4.527 4.340 -0.001 0.000 0.297 344 R C -0.663 175.654 176.300 0.028 0.000 0.969 344 R CA -1.075 55.030 56.100 0.009 0.000 0.879 344 R CB 1.741 31.992 30.300 -0.081 0.000 1.178 344 R HN 0.787 nan 8.270 nan 0.000 0.445 345 E N 1.187 121.393 120.200 0.010 0.000 2.502 345 E HA -0.070 4.279 4.350 -0.001 0.000 0.261 345 E C 0.075 176.654 176.600 -0.035 0.000 0.974 345 E CA 0.708 57.112 56.400 0.007 0.000 0.936 345 E CB 0.693 30.385 29.700 -0.013 0.000 0.926 345 E HN 0.684 nan 8.360 nan 0.000 0.459 346 T N 0.623 115.177 114.554 -0.000 0.000 2.975 346 T HA 0.168 4.518 4.350 -0.001 0.000 0.261 346 T C -0.282 174.242 174.700 -0.294 0.000 0.984 346 T CA -0.300 61.729 62.100 -0.117 0.000 0.911 346 T CB 0.125 68.972 68.868 -0.036 0.000 1.127 346 T HN 0.494 nan 8.240 nan 0.000 0.514 347 H N 0.197 119.223 119.070 -0.073 0.000 2.996 347 H HA 0.753 5.308 4.556 -0.001 0.000 0.368 347 H C -1.436 173.854 175.328 -0.063 0.000 1.185 347 H CA -0.752 55.249 56.048 -0.079 0.000 1.160 347 H CB 2.072 31.762 29.762 -0.121 0.000 1.820 347 H HN 0.081 nan 8.280 nan 0.000 0.547 348 S N 1.555 117.293 115.700 0.064 0.000 2.774 348 S HA 0.311 4.780 4.470 -0.001 0.000 0.297 348 S C -0.864 173.742 174.600 0.010 0.000 1.143 348 S CA -0.438 57.782 58.200 0.032 0.000 1.090 348 S CB 0.254 63.468 63.200 0.022 0.000 1.019 348 S HN 0.740 nan 8.310 nan 0.000 0.482 349 C N 5.174 124.447 119.300 -0.045 0.000 2.303 349 C HA 0.793 5.252 4.460 -0.001 0.000 0.341 349 C C 0.244 175.215 174.990 -0.032 0.000 1.244 349 C CA -0.070 58.845 59.018 -0.172 0.000 1.765 349 C CB -1.208 26.252 27.740 -0.466 0.000 2.379 349 C HN 0.855 nan 8.230 nan 0.000 0.530 350 S N 3.647 119.381 115.700 0.055 0.000 2.568 350 S HA 0.877 5.347 4.470 -0.001 0.000 0.293 350 S C -0.592 174.183 174.600 0.291 0.000 1.089 350 S CA -0.575 57.766 58.200 0.234 0.000 0.945 350 S CB 1.790 65.072 63.200 0.137 0.000 1.077 350 S HN 1.105 nan 8.310 nan 0.000 0.485 351 A N 1.242 124.265 122.820 0.339 0.000 2.342 351 A HA 0.784 5.103 4.320 -0.001 0.000 0.323 351 A C -0.463 177.206 177.584 0.141 0.000 1.125 351 A CA -0.572 51.604 52.037 0.231 0.000 0.785 351 A CB 0.333 19.446 19.000 0.188 0.000 1.221 351 A HN 0.710 nan 8.150 nan 0.000 0.463 352 L N 2.789 124.056 121.223 0.073 0.000 3.184 352 L HA 0.302 4.641 4.340 -0.001 0.000 0.283 352 L C 0.760 177.620 176.870 -0.017 0.000 1.218 352 L CA 0.183 55.069 54.840 0.077 0.000 1.028 352 L CB -0.692 41.468 42.059 0.168 0.000 1.400 352 L HN 0.918 nan 8.230 nan 0.000 0.591 353 L N -0.022 121.021 121.223 -0.301 0.000 5.840 353 L HA -0.383 3.956 4.340 -0.001 0.000 0.053 353 L C 0.670 177.349 176.870 -0.318 0.000 2.327 353 L CA 1.780 56.105 54.840 -0.859 0.000 1.715 353 L CB -0.977 40.463 42.059 -1.031 0.000 2.706 353 L HN 0.515 nan 8.230 nan 0.000 0.957 354 D N -1.857 118.470 120.400 -0.122 0.000 2.427 354 D HA 0.047 4.687 4.640 -0.001 0.000 0.224 354 D C 1.097 177.483 176.300 0.143 0.000 1.157 354 D CA -0.172 53.959 54.000 0.217 0.000 0.828 354 D CB -0.248 40.757 40.800 0.342 0.000 0.974 354 D HN 0.555 nan 8.370 nan 0.000 0.498 355 W N 1.451 122.746 121.300 -0.008 0.000 2.354 355 W HA -0.101 4.559 4.660 -0.001 0.000 0.315 355 W C 2.010 178.550 176.519 0.036 0.000 1.206 355 W CA 1.681 59.034 57.345 0.013 0.000 1.290 355 W CB 0.092 29.574 29.460 0.037 0.000 1.152 355 W HN 0.005 nan 8.180 nan 0.000 0.489 356 Q N -0.506 119.476 119.800 0.304 0.000 2.123 356 Q HA -0.079 4.260 4.340 -0.001 0.000 0.199 356 Q C 2.366 178.432 176.000 0.111 0.000 0.966 356 Q CA 1.279 57.198 55.803 0.193 0.000 0.845 356 Q CB -0.643 28.285 28.738 0.316 0.000 0.907 356 Q HN 0.313 nan 8.270 nan 0.000 0.439 357 A N 1.966 124.883 122.820 0.162 0.000 1.859 357 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 357 A C 2.074 179.737 177.584 0.132 0.000 1.198 357 A CA 1.591 53.763 52.037 0.225 0.000 0.629 357 A CB -0.556 18.652 19.000 0.346 0.000 0.830 357 A HN 0.223 nan 8.150 nan 0.000 0.446 358 R N -0.901 119.479 120.500 -0.200 0.000 2.096 358 R HA -0.170 4.170 4.340 -0.001 0.000 0.240 358 R C 2.481 178.648 176.300 -0.222 0.000 1.139 358 R CA 1.904 57.708 56.100 -0.494 0.000 0.952 358 R CB -0.372 29.574 30.300 -0.590 0.000 0.854 358 R HN 0.511 nan 8.270 nan 0.000 0.436 359 R N -0.169 120.192 120.500 -0.231 0.000 2.115 359 R HA -0.035 4.305 4.340 -0.001 0.000 0.230 359 R C 1.712 177.985 176.300 -0.045 0.000 1.111 359 R CA 1.324 57.315 56.100 -0.181 0.000 0.976 359 R CB 0.009 30.132 30.300 -0.295 0.000 0.870 359 R HN 0.189 nan 8.270 nan 0.000 0.445 360 A N 0.246 123.079 122.820 0.022 0.000 2.465 360 A HA 0.074 4.393 4.320 -0.001 0.000 0.255 360 A C 0.121 177.779 177.584 0.122 0.000 1.274 360 A CA -0.326 51.755 52.037 0.073 0.000 0.920 360 A CB -0.356 18.701 19.000 0.094 0.000 1.033 360 A HN 0.542 nan 8.150 nan 0.000 0.516 361 N N -0.215 118.588 118.700 0.172 0.000 2.696 361 N HA -0.141 4.598 4.740 -0.001 0.000 0.256 361 N C -1.110 174.528 175.510 0.214 0.000 1.031 361 N CA 0.049 53.245 53.050 0.243 0.000 0.730 361 N CB -0.913 37.665 38.487 0.152 0.000 0.894 361 N HN 0.456 nan 8.380 nan 0.000 0.544 362 L N 1.726 123.116 121.223 0.279 0.000 2.265 362 L HA 0.553 4.892 4.340 -0.001 0.000 0.289 362 L C 0.530 177.525 176.870 0.208 0.000 1.033 362 L CA -0.415 54.567 54.840 0.236 0.000 0.814 362 L CB 1.501 43.715 42.059 0.259 0.000 1.203 362 L HN 0.193 nan 8.230 nan 0.000 0.423 363 R N 2.390 122.948 120.500 0.097 0.000 2.774 363 R HA 0.663 5.003 4.340 -0.001 0.000 0.272 363 R C -1.628 174.717 176.300 0.075 0.000 1.000 363 R CA -0.946 55.145 56.100 -0.014 0.000 0.906 363 R CB 2.623 32.776 30.300 -0.246 0.000 1.227 363 R HN 0.513 nan 8.270 nan 0.000 0.468 364 Y N -1.837 118.421 120.300 -0.071 0.000 2.588 364 Y HA 0.586 5.136 4.550 -0.001 0.000 0.343 364 Y C -1.074 174.807 175.900 -0.031 0.000 1.065 364 Y CA -1.388 56.686 58.100 -0.042 0.000 1.038 364 Y CB 1.501 39.937 38.460 -0.040 0.000 1.297 364 Y HN 0.372 nan 8.280 nan 0.000 0.467 365 R N 2.818 123.334 120.500 0.026 0.000 2.207 365 R HA 0.225 4.565 4.340 -0.001 0.000 0.334 365 R C -0.807 175.567 176.300 0.122 0.000 1.013 365 R CA -0.556 55.518 56.100 -0.044 0.000 0.858 365 R CB 0.333 30.634 30.300 0.002 0.000 1.094 365 R HN 0.946 nan 8.270 nan 0.000 0.457 366 D N 4.306 124.690 120.400 -0.026 0.000 2.393 366 D HA 0.083 4.722 4.640 -0.001 0.000 0.246 366 D C -1.721 174.484 176.300 -0.158 0.000 1.275 366 D CA -1.597 52.441 54.000 0.064 0.000 0.979 366 D CB 0.284 41.087 40.800 0.005 0.000 1.101 366 D HN 0.178 nan 8.370 nan 0.000 0.505 367 P HA -0.124 nan 4.420 nan 0.000 0.218 367 P C 0.817 178.003 177.300 -0.190 0.000 1.148 367 P CA 1.236 64.101 63.100 -0.393 0.000 0.822 367 P CB 0.018 31.408 31.700 -0.515 0.000 0.784 368 E N -1.339 118.771 120.200 -0.150 0.000 2.427 368 E HA 0.045 4.394 4.350 -0.001 0.000 0.196 368 E C 1.549 178.100 176.600 -0.082 0.000 1.028 368 E CA 1.078 57.419 56.400 -0.099 0.000 0.864 368 E CB -0.816 28.834 29.700 -0.084 0.000 0.813 368 E HN 0.292 nan 8.360 nan 0.000 0.514 369 G N 2.300 111.047 108.800 -0.088 0.000 2.159 369 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.227 369 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.227 369 G C 0.225 175.075 174.900 -0.084 0.000 0.986 369 G CA 0.103 45.161 45.100 -0.070 0.000 0.651 369 G HN 0.401 nan 8.290 nan 0.000 0.523 370 R N 0.211 120.646 120.500 -0.108 0.000 2.357 370 R HA 0.611 4.950 4.340 -0.001 0.000 0.296 370 R C -0.163 176.009 176.300 -0.213 0.000 1.052 370 R CA -0.638 55.381 56.100 -0.134 0.000 0.988 370 R CB 1.537 31.768 30.300 -0.114 0.000 1.025 370 R HN 0.116 nan 8.270 nan 0.000 0.469 371 V N 4.924 124.710 119.914 -0.215 0.000 2.470 371 V HA 0.236 4.355 4.120 -0.001 0.000 0.276 371 V C 0.482 176.352 176.094 -0.373 0.000 1.040 371 V CA -0.036 62.085 62.300 -0.298 0.000 1.008 371 V CB 0.185 31.873 31.823 -0.224 0.000 0.990 371 V HN 0.790 nan 8.190 nan 0.000 0.477 372 R N 3.081 123.240 120.500 -0.568 0.000 2.837 372 R HA 0.530 4.869 4.340 -0.001 0.000 0.271 372 R C -1.463 174.566 176.300 -0.453 0.000 0.993 372 R CA -1.022 54.791 56.100 -0.477 0.000 0.931 372 R CB 1.556 31.571 30.300 -0.475 0.000 1.206 372 R HN 0.493 nan 8.270 nan 0.000 0.474 373 Y N 0.705 120.967 120.300 -0.063 0.000 2.480 373 Y HA 0.219 4.769 4.550 -0.001 0.000 0.338 373 Y C 1.054 177.084 175.900 0.217 0.000 1.220 373 Y CA 0.310 58.458 58.100 0.081 0.000 1.430 373 Y CB 0.610 39.137 38.460 0.113 0.000 1.311 373 Y HN 0.681 nan 8.280 nan 0.000 0.575 374 A N 2.344 125.426 122.820 0.437 0.000 2.246 374 A HA 0.557 4.876 4.320 -0.001 0.000 0.291 374 A C -1.384 176.426 177.584 0.376 0.000 1.103 374 A CA -0.447 51.793 52.037 0.337 0.000 0.844 374 A CB 0.311 19.437 19.000 0.211 0.000 1.136 374 A HN 0.591 nan 8.150 nan 0.000 0.500 375 Y N -0.332 120.002 120.300 0.057 0.000 2.420 375 Y HA 0.583 5.133 4.550 -0.001 0.000 0.334 375 Y C 0.956 176.841 175.900 -0.024 0.000 1.094 375 Y CA -0.902 57.207 58.100 0.015 0.000 1.126 375 Y CB 1.731 40.162 38.460 -0.049 0.000 1.217 375 Y HN 0.804 nan 8.280 nan 0.000 0.462 376 T N 0.641 115.281 114.554 0.143 0.000 2.916 376 T HA 0.902 5.252 4.350 -0.001 0.000 0.292 376 T C -1.108 173.585 174.700 -0.012 0.000 1.055 376 T CA -0.762 61.336 62.100 -0.003 0.000 1.009 376 T CB 2.001 70.922 68.868 0.089 0.000 1.118 376 T HN 0.298 nan 8.240 nan 0.000 0.497 377 L N 1.759 122.907 121.223 -0.125 0.000 2.469 377 L HA 0.707 5.046 4.340 -0.001 0.000 0.256 377 L C -0.502 176.348 176.870 -0.032 0.000 1.006 377 L CA -0.718 54.112 54.840 -0.018 0.000 0.832 377 L CB 2.396 44.465 42.059 0.016 0.000 1.421 377 L HN 1.079 nan 8.230 nan 0.000 0.410 378 N N 0.474 119.213 118.700 0.064 0.000 3.020 378 N HA 0.475 5.214 4.740 -0.001 0.000 0.248 378 N C -1.859 173.678 175.510 0.045 0.000 1.480 378 N CA -0.779 52.333 53.050 0.104 0.000 0.874 378 N CB 2.860 41.479 38.487 0.221 0.000 1.433 378 N HN 0.675 nan 8.380 nan 0.000 0.530 379 N N -0.957 117.772 118.700 0.048 0.000 2.815 379 N HA 0.122 4.861 4.740 -0.001 0.000 0.253 379 N C -1.428 174.109 175.510 0.046 0.000 1.202 379 N CA -0.262 52.793 53.050 0.008 0.000 0.925 379 N CB 2.071 40.506 38.487 -0.087 0.000 1.622 379 N HN 0.537 nan 8.380 nan 0.000 0.497 380 T N 1.421 116.008 114.554 0.056 0.000 2.906 380 T HA 0.192 4.542 4.350 -0.001 0.000 0.320 380 T C 1.199 175.958 174.700 0.097 0.000 1.088 380 T CA 0.383 62.502 62.100 0.031 0.000 1.120 380 T CB 1.196 69.980 68.868 -0.140 0.000 1.000 380 T HN 0.619 nan 8.240 nan 0.000 0.550 381 A N 2.368 125.206 122.820 0.030 0.000 1.909 381 A HA 0.583 4.903 4.320 -0.001 0.000 0.210 381 A C 0.499 178.106 177.584 0.038 0.000 1.273 381 A CA 0.287 52.328 52.037 0.007 0.000 0.654 381 A CB 0.102 19.069 19.000 -0.056 0.000 0.945 381 A HN 0.670 nan 8.150 nan 0.000 0.471 382 L N -1.690 119.517 121.223 -0.026 0.000 2.545 382 L HA 0.675 5.014 4.340 -0.001 0.000 0.258 382 L C -1.704 175.140 176.870 -0.042 0.000 0.942 382 L CA -0.733 54.074 54.840 -0.055 0.000 0.855 382 L CB 2.040 44.085 42.059 -0.023 0.000 1.374 382 L HN 0.294 nan 8.230 nan 0.000 0.411 383 A N 1.819 124.592 122.820 -0.079 0.000 2.356 383 A HA 0.812 5.131 4.320 -0.001 0.000 0.310 383 A C -0.487 177.097 177.584 0.001 0.000 1.075 383 A CA -0.156 51.898 52.037 0.030 0.000 0.746 383 A CB 1.731 20.746 19.000 0.024 0.000 1.221 383 A HN 0.673 nan 8.150 nan 0.000 0.443 384 T N -0.248 114.370 114.554 0.105 0.000 2.940 384 T HA 0.748 5.098 4.350 -0.001 0.000 0.288 384 T C -2.342 172.397 174.700 0.066 0.000 1.033 384 T CA -1.780 60.337 62.100 0.029 0.000 1.033 384 T CB 2.099 70.999 68.868 0.053 0.000 1.079 384 T HN 0.320 nan 8.240 nan 0.000 0.496 385 P HA 0.168 nan 4.420 nan 0.000 0.261 385 P C 1.200 178.317 177.300 -0.304 0.000 1.268 385 P CA -0.179 62.742 63.100 -0.298 0.000 0.833 385 P CB 0.252 31.543 31.700 -0.682 0.000 1.231 386 R N 0.488 120.795 120.500 -0.321 0.000 2.105 386 R HA -0.145 4.195 4.340 -0.001 0.000 0.239 386 R C 1.991 178.120 176.300 -0.286 0.000 1.135 386 R CA 1.212 57.115 56.100 -0.327 0.000 0.967 386 R CB -0.874 29.225 30.300 -0.335 0.000 0.861 386 R HN 0.020 nan 8.270 nan 0.000 0.442 387 I N 1.185 121.615 120.570 -0.234 0.000 2.361 387 I HA -0.218 3.951 4.170 -0.001 0.000 0.251 387 I C 1.829 177.817 176.117 -0.214 0.000 1.133 387 I CA 1.273 62.453 61.300 -0.200 0.000 1.413 387 I CB -0.075 37.827 38.000 -0.165 0.000 1.073 387 I HN 0.244 nan 8.210 nan 0.000 0.424 388 L N -0.230 120.859 121.223 -0.224 0.000 2.201 388 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 388 L C 2.559 179.307 176.870 -0.204 0.000 1.105 388 L CA 1.073 55.803 54.840 -0.185 0.000 0.775 388 L CB -0.788 41.183 42.059 -0.147 0.000 0.913 388 L HN 0.278 nan 8.230 nan 0.000 0.440 389 A N -0.492 122.112 122.820 -0.361 0.000 1.930 389 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 389 A C 2.207 179.574 177.584 -0.362 0.000 1.175 389 A CA 1.502 53.168 52.037 -0.618 0.000 0.627 389 A CB -0.335 17.939 19.000 -1.210 0.000 0.815 389 A HN 0.296 nan 8.150 nan 0.000 0.443 390 M N -0.623 118.807 119.600 -0.283 0.000 2.254 390 M HA 0.054 4.533 4.480 -0.001 0.000 0.265 390 M C 1.907 178.093 176.300 -0.191 0.000 1.066 390 M CA 0.985 56.164 55.300 -0.202 0.000 1.123 390 M CB -0.372 32.128 32.600 -0.167 0.000 1.388 390 M HN 0.362 nan 8.290 nan 0.000 0.425 391 L N -0.771 120.341 121.223 -0.184 0.000 2.027 391 L HA -0.205 4.134 4.340 -0.001 0.000 0.206 391 L C 2.217 179.059 176.870 -0.046 0.000 1.074 391 L CA 1.110 55.840 54.840 -0.184 0.000 0.745 391 L CB -0.755 41.287 42.059 -0.028 0.000 0.898 391 L HN 0.279 nan 8.230 nan 0.000 0.433 392 L N -0.381 120.857 121.223 0.024 0.000 1.971 392 L HA -0.262 4.078 4.340 -0.001 0.000 0.215 392 L C 2.625 179.564 176.870 0.115 0.000 1.072 392 L CA 1.646 56.556 54.840 0.116 0.000 0.758 392 L CB -0.638 41.503 42.059 0.138 0.000 0.889 392 L HN 0.274 nan 8.230 nan 0.000 0.433 393 E N -0.272 119.958 120.200 0.050 0.000 2.077 393 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 393 E C 1.979 178.686 176.600 0.178 0.000 0.989 393 E CA 1.002 57.437 56.400 0.057 0.000 0.800 393 E CB -0.159 29.540 29.700 -0.001 0.000 0.746 393 E HN 0.458 nan 8.360 nan 0.000 0.452 394 N N 0.060 118.832 118.700 0.120 0.000 2.331 394 N HA -0.081 4.659 4.740 -0.001 0.000 0.180 394 N C 1.319 177.051 175.510 0.370 0.000 1.019 394 N CA 0.897 54.069 53.050 0.204 0.000 0.881 394 N CB 0.038 38.494 38.487 -0.052 0.000 0.972 394 N HN 0.389 nan 8.380 nan 0.000 0.435 395 H N 0.272 119.479 119.070 0.228 0.000 2.592 395 H HA 0.070 4.625 4.556 -0.001 0.000 0.265 395 H C 0.364 175.831 175.328 0.232 0.000 0.955 395 H CA -0.440 55.724 56.048 0.192 0.000 1.175 395 H CB 0.555 30.391 29.762 0.122 0.000 1.433 395 H HN 0.327 nan 8.280 nan 0.000 0.537 396 Q N 1.850 121.883 119.800 0.389 0.000 2.283 396 Q HA 0.057 4.396 4.340 -0.001 0.000 0.301 396 Q C -0.691 175.535 176.000 0.378 0.000 1.063 396 Q CA 0.323 56.316 55.803 0.316 0.000 0.952 396 Q CB 0.763 29.646 28.738 0.242 0.000 1.166 396 Q HN 0.337 nan 8.270 nan 0.000 0.381 397 L N 1.928 123.225 121.223 0.123 0.000 2.375 397 L HA 0.133 4.472 4.340 -0.001 0.000 0.268 397 L C 1.672 178.156 176.870 -0.642 0.000 1.058 397 L CA -0.930 53.868 54.840 -0.069 0.000 0.803 397 L CB 0.779 42.810 42.059 -0.047 0.000 1.212 397 L HN 0.795 nan 8.230 nan 0.000 0.451 398 Q N 1.532 120.728 119.800 -1.007 0.000 2.082 398 Q HA -0.257 4.083 4.340 -0.001 0.000 0.211 398 Q C 1.209 176.835 176.000 -0.622 0.000 1.002 398 Q CA 2.592 57.662 55.803 -1.221 0.000 0.868 398 Q CB -0.124 28.303 28.738 -0.517 0.000 0.931 398 Q HN 0.850 nan 8.270 nan 0.000 0.414 399 D N -2.550 117.640 120.400 -0.350 0.000 2.378 399 D HA -0.040 4.600 4.640 -0.001 0.000 0.227 399 D C 1.177 177.362 176.300 -0.193 0.000 1.012 399 D CA 0.944 54.817 54.000 -0.212 0.000 0.905 399 D CB 0.182 40.902 40.800 -0.135 0.000 0.895 399 D HN 0.494 nan 8.370 nan 0.000 0.532 400 G N 1.844 110.503 108.800 -0.236 0.000 2.213 400 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.226 400 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.226 400 G C 0.519 175.357 174.900 -0.103 0.000 0.992 400 G CA 0.126 45.127 45.100 -0.165 0.000 0.632 400 G HN 0.599 nan 8.290 nan 0.000 0.511 401 R N -0.126 120.331 120.500 -0.070 0.000 2.531 401 R HA 0.745 5.084 4.340 -0.001 0.000 0.260 401 R C -0.703 175.665 176.300 0.114 0.000 1.144 401 R CA -0.369 55.746 56.100 0.025 0.000 1.171 401 R CB 1.159 31.476 30.300 0.028 0.000 1.199 401 R HN 0.293 nan 8.270 nan 0.000 0.594 402 V N 1.044 121.091 119.914 0.221 0.000 2.487 402 V HA 0.363 4.482 4.120 -0.001 0.000 0.298 402 V C 0.213 176.358 176.094 0.086 0.000 1.028 402 V CA -0.966 61.454 62.300 0.200 0.000 0.860 402 V CB 1.450 33.434 31.823 0.270 0.000 0.991 402 V HN 0.709 nan 8.190 nan 0.000 0.427 403 R N 2.933 123.472 120.500 0.066 0.000 2.594 403 R HA 0.524 4.863 4.340 -0.001 0.000 0.272 403 R C -1.093 175.148 176.300 -0.097 0.000 1.074 403 R CA -0.261 55.822 56.100 -0.029 0.000 1.105 403 R CB 1.198 31.473 30.300 -0.041 0.000 1.008 403 R HN 0.517 nan 8.270 nan 0.000 0.472 404 V N 6.982 126.805 119.914 -0.151 0.000 2.347 404 V HA 0.300 4.420 4.120 -0.001 0.000 0.280 404 V C -1.812 174.198 176.094 -0.140 0.000 1.021 404 V CA -1.840 60.358 62.300 -0.170 0.000 0.847 404 V CB 1.305 33.008 31.823 -0.199 0.000 0.990 404 V HN 0.869 nan 8.190 nan 0.000 0.444 405 P HA 0.024 nan 4.420 nan 0.000 0.269 405 P C 0.382 177.634 177.300 -0.080 0.000 1.217 405 P CA -0.008 63.003 63.100 -0.149 0.000 0.783 405 P CB 1.157 32.816 31.700 -0.068 0.000 0.898 406 Q N 2.329 122.094 119.800 -0.058 0.000 2.112 406 Q HA -0.197 4.142 4.340 -0.001 0.000 0.206 406 Q C 2.186 178.191 176.000 0.008 0.000 0.987 406 Q CA 2.734 58.525 55.803 -0.019 0.000 0.858 406 Q CB -1.149 27.588 28.738 -0.002 0.000 0.905 406 Q HN 0.592 nan 8.270 nan 0.000 0.420 407 A N -0.788 122.029 122.820 -0.005 0.000 2.070 407 A HA -0.080 4.239 4.320 -0.001 0.000 0.220 407 A C 1.625 179.222 177.584 0.021 0.000 1.159 407 A CA 1.065 53.121 52.037 0.032 0.000 0.656 407 A CB -0.228 18.775 19.000 0.006 0.000 0.800 407 A HN 0.405 nan 8.150 nan 0.000 0.453 408 L N -0.698 120.489 121.223 -0.059 0.000 2.607 408 L HA 0.243 4.582 4.340 -0.001 0.000 0.228 408 L C 1.790 178.740 176.870 0.134 0.000 1.123 408 L CA 0.184 55.050 54.840 0.042 0.000 0.890 408 L CB -0.019 42.025 42.059 -0.025 0.000 1.103 408 L HN 0.330 nan 8.230 nan 0.000 0.468 409 I N 0.648 121.259 120.570 0.068 0.000 2.208 409 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 409 I C -0.425 175.724 176.117 0.053 0.000 1.097 409 I CA 1.364 62.687 61.300 0.037 0.000 1.363 409 I CB -1.187 36.817 38.000 0.007 0.000 1.051 409 I HN 0.242 nan 8.210 nan 0.000 0.413 410 P HA -0.129 nan 4.420 nan 0.000 0.223 410 P C 1.087 178.326 177.300 -0.102 0.000 1.151 410 P CA 1.377 64.454 63.100 -0.039 0.000 0.787 410 P CB -0.051 31.598 31.700 -0.085 0.000 0.788 411 Y N -2.127 118.193 120.300 0.033 0.000 2.420 411 Y HA 0.072 4.621 4.550 -0.001 0.000 0.292 411 Y C 2.225 178.143 175.900 0.030 0.000 1.119 411 Y CA 0.783 58.910 58.100 0.045 0.000 1.229 411 Y CB -0.408 38.095 38.460 0.071 0.000 1.026 411 Y HN -0.128 nan 8.280 nan 0.000 0.554 412 M N -1.497 118.193 119.600 0.151 0.000 2.492 412 M HA 0.313 4.793 4.480 -0.001 0.000 0.255 412 M C 1.543 177.855 176.300 0.020 0.000 1.139 412 M CA 0.966 56.306 55.300 0.066 0.000 1.096 412 M CB -0.566 32.029 32.600 -0.008 0.000 1.360 412 M HN 0.383 nan 8.290 nan 0.000 0.480 413 G N 3.039 111.848 108.800 0.014 0.000 2.153 413 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.252 413 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.252 413 G C 0.139 175.033 174.900 -0.009 0.000 0.994 413 G CA 1.060 46.159 45.100 -0.002 0.000 0.698 413 G HN 0.560 nan 8.290 nan 0.000 0.521 414 K N -2.303 118.086 120.400 -0.018 0.000 2.711 414 K HA 0.513 4.833 4.320 -0.001 0.000 0.294 414 K C -0.045 176.527 176.600 -0.046 0.000 1.037 414 K CA -0.652 55.618 56.287 -0.028 0.000 0.858 414 K CB 0.203 32.685 32.500 -0.029 0.000 1.521 414 K HN -0.063 nan 8.250 nan 0.000 0.386 415 E N 0.045 120.219 120.200 -0.045 0.000 2.431 415 E HA 0.139 4.489 4.350 -0.001 0.000 0.200 415 E C -0.329 176.230 176.600 -0.068 0.000 0.995 415 E CA 0.246 56.613 56.400 -0.054 0.000 0.915 415 E CB 1.180 30.858 29.700 -0.037 0.000 0.930 415 E HN 0.312 nan 8.360 nan 0.000 0.496 416 V N 1.994 121.874 119.914 -0.057 0.000 2.760 416 V HA 0.163 4.282 4.120 -0.001 0.000 0.309 416 V C -0.625 175.446 176.094 -0.039 0.000 1.077 416 V CA -0.940 61.335 62.300 -0.042 0.000 0.910 416 V CB 2.184 34.004 31.823 -0.005 0.000 1.008 416 V HN 0.051 nan 8.190 nan 0.000 0.424 417 L N 3.593 124.792 121.223 -0.041 0.000 2.534 417 L HA 0.209 4.548 4.340 -0.001 0.000 0.271 417 L C 0.721 177.730 176.870 0.231 0.000 1.178 417 L CA 0.487 55.336 54.840 0.015 0.000 0.907 417 L CB -0.421 41.566 42.059 -0.122 0.000 1.164 417 L HN 0.646 nan 8.230 nan 0.000 0.482 418 E N 6.214 126.533 120.200 0.198 0.000 2.257 418 E HA 0.168 4.517 4.350 -0.001 0.000 0.278 418 E C -1.990 174.841 176.600 0.384 0.000 1.049 418 E CA -1.610 54.919 56.400 0.214 0.000 0.876 418 E CB 0.480 30.257 29.700 0.127 0.000 1.035 418 E HN 0.400 nan 8.360 nan 0.000 0.419 419 P HA -0.014 nan 4.420 nan 0.000 0.272 419 P C 0.364 177.701 177.300 0.061 0.000 1.240 419 P CA -0.259 62.835 63.100 -0.010 0.000 0.791 419 P CB 0.508 32.111 31.700 -0.161 0.000 0.978 3261 Q N 1.218 121.060 119.800 0.069 0.000 2.119 3261 Q HA -0.134 4.206 4.340 -0.001 0.000 0.201 3261 Q C 2.090 178.115 176.000 0.041 0.000 0.972 3261 Q CA 1.659 57.490 55.803 0.046 0.000 0.847 3261 Q CB -0.013 28.740 28.738 0.025 0.000 0.903 3261 Q HN 0.382 nan 8.270 nan 0.000 0.433 3262 L N 0.748 121.985 121.223 0.025 0.000 2.083 3262 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 3262 L C 1.819 178.662 176.870 -0.045 0.000 1.083 3262 L CA 2.134 56.956 54.840 -0.031 0.000 0.752 3262 L CB -0.699 41.311 42.059 -0.083 0.000 0.899 3262 L HN 0.304 nan 8.230 nan 0.000 0.433 3263 H N -0.731 118.337 119.070 -0.004 0.000 2.457 3263 H HA -0.123 4.432 4.556 -0.001 0.000 0.297 3263 H C 2.141 177.468 175.328 -0.002 0.000 1.092 3263 H CA 1.814 57.860 56.048 -0.003 0.000 1.309 3263 H CB 0.119 29.879 29.762 -0.002 0.000 1.382 3263 H HN 0.361 nan 8.280 nan 0.000 0.535 3264 K N 0.084 120.548 120.400 0.108 0.000 2.044 3264 K HA -0.109 4.211 4.320 -0.001 0.000 0.204 3264 K C 2.155 178.774 176.600 0.032 0.000 1.049 3264 K CA 1.089 57.413 56.287 0.060 0.000 0.945 3264 K CB 0.047 32.573 32.500 0.043 0.000 0.724 3264 K HN 0.296 nan 8.250 nan 0.000 0.440 3265 Q N 0.674 120.485 119.800 0.017 0.000 2.181 3265 Q HA -0.218 4.121 4.340 -0.001 0.000 0.205 3265 Q C 2.042 178.041 176.000 -0.002 0.000 0.980 3265 Q CA 1.486 57.291 55.803 0.003 0.000 0.862 3265 Q CB 0.047 28.781 28.738 -0.007 0.000 0.905 3265 Q HN 0.285 nan 8.270 nan 0.000 0.429 3266 Q N -0.387 119.409 119.800 -0.007 0.000 2.172 3266 Q HA -0.161 4.178 4.340 -0.001 0.000 0.200 3266 Q C 1.598 177.602 176.000 0.007 0.000 0.964 3266 Q CA 0.819 56.614 55.803 -0.013 0.000 0.855 3266 Q CB 0.342 29.055 28.738 -0.042 0.000 0.918 3266 Q HN 0.228 nan 8.270 nan 0.000 0.444 3267 E N -0.439 119.775 120.200 0.023 0.000 2.033 3267 E HA -0.096 4.253 4.350 -0.001 0.000 0.189 3267 E C 2.079 178.688 176.600 0.014 0.000 0.979 3267 E CA 0.697 57.111 56.400 0.024 0.000 0.802 3267 E CB -0.479 29.241 29.700 0.033 0.000 0.763 3267 E HN 0.109 nan 8.360 nan 0.000 0.449 3268 V N 1.668 121.590 119.914 0.012 0.000 2.439 3268 V HA -0.268 3.851 4.120 -0.001 0.000 0.253 3268 V C 2.245 178.340 176.094 0.002 0.000 1.074 3268 V CA 1.589 63.892 62.300 0.006 0.000 1.076 3268 V CB -0.454 31.372 31.823 0.005 0.000 0.664 3268 V HN 0.227 nan 8.190 nan 0.000 0.461 3269 I N -0.514 120.056 120.570 0.001 0.000 2.585 3269 I HA -0.051 4.119 4.170 -0.001 0.000 0.254 3269 I C 2.612 178.728 176.117 -0.001 0.000 1.129 3269 I CA 0.921 62.219 61.300 -0.003 0.000 1.455 3269 I CB -0.574 37.422 38.000 -0.006 0.000 1.111 3269 I HN 0.256 nan 8.210 nan 0.000 0.433 3270 A N 0.980 123.801 122.820 0.002 0.000 1.873 3270 A HA -0.274 4.046 4.320 -0.001 0.000 0.218 3270 A C 2.028 179.614 177.584 0.003 0.000 1.193 3270 A CA 2.173 54.212 52.037 0.004 0.000 0.629 3270 A CB -0.721 18.285 19.000 0.009 0.000 0.826 3270 A HN 0.371 nan 8.150 nan 0.000 0.447 3271 D N -0.528 119.874 120.400 0.004 0.000 2.078 3271 D HA -0.146 4.493 4.640 -0.001 0.000 0.193 3271 D C 1.995 178.294 176.300 -0.001 0.000 0.990 3271 D CA 1.667 55.669 54.000 0.002 0.000 0.827 3271 D CB -0.225 40.577 40.800 0.003 0.000 0.975 3271 D HN 0.467 nan 8.370 nan 0.000 0.451 3272 K N 0.604 121.002 120.400 -0.003 0.000 2.097 3272 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 3272 K C 2.325 178.920 176.600 -0.008 0.000 1.049 3272 K CA 0.932 57.215 56.287 -0.006 0.000 0.933 3272 K CB -0.072 32.424 32.500 -0.007 0.000 0.717 3272 K HN 0.191 nan 8.250 nan 0.000 0.442 3273 Q N 0.022 119.818 119.800 -0.006 0.000 2.124 3273 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 3273 Q C 2.184 178.181 176.000 -0.006 0.000 0.977 3273 Q CA 1.318 57.117 55.803 -0.007 0.000 0.850 3273 Q CB -0.007 28.728 28.738 -0.004 0.000 0.901 3273 Q HN 0.339 nan 8.270 nan 0.000 0.429 3274 M N -0.231 119.367 119.600 -0.003 0.000 2.099 3274 M HA -0.148 4.331 4.480 -0.001 0.000 0.262 3274 M C 2.465 178.762 176.300 -0.005 0.000 1.067 3274 M CA 1.239 56.538 55.300 -0.002 0.000 1.124 3274 M CB -0.502 32.099 32.600 0.001 0.000 1.353 3274 M HN 0.193 nan 8.290 nan 0.000 0.410 3275 S N -0.091 115.605 115.700 -0.006 0.000 2.440 3275 S HA -0.117 4.353 4.470 -0.001 0.000 0.240 3275 S C 1.672 176.263 174.600 -0.015 0.000 1.014 3275 S CA 1.304 59.499 58.200 -0.009 0.000 0.980 3275 S CB -0.178 63.017 63.200 -0.009 0.000 0.775 3275 S HN 0.315 nan 8.310 nan 0.000 0.499 3276 V N 0.899 120.803 119.914 -0.017 0.000 2.825 3276 V HA 0.073 4.192 4.120 -0.001 0.000 0.246 3276 V C 2.337 178.417 176.094 -0.023 0.000 1.068 3276 V CA 1.285 63.570 62.300 -0.025 0.000 1.088 3276 V CB -0.280 31.527 31.823 -0.027 0.000 0.733 3276 V HN 0.458 nan 8.190 nan 0.000 0.468 3277 K N 0.062 120.455 120.400 -0.012 0.000 2.057 3277 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 3277 K C 2.003 178.602 176.600 -0.002 0.000 1.050 3277 K CA 1.561 57.846 56.287 -0.004 0.000 0.935 3277 K CB -0.149 32.353 32.500 0.003 0.000 0.715 3277 K HN 0.530 nan 8.250 nan 0.000 0.439 3278 E N 1.059 121.256 120.200 -0.004 0.000 2.085 3278 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 3278 E C 1.548 178.144 176.600 -0.007 0.000 0.994 3278 E CA 1.419 57.818 56.400 -0.002 0.000 0.801 3278 E CB -0.066 29.632 29.700 -0.003 0.000 0.743 3278 E HN 0.285 nan 8.360 nan 0.000 0.453 3279 D N 0.484 120.872 120.400 -0.019 0.000 2.149 3279 D HA -0.074 4.566 4.640 -0.001 0.000 0.201 3279 D C 1.861 178.133 176.300 -0.046 0.000 0.972 3279 D CA 0.757 54.737 54.000 -0.033 0.000 0.835 3279 D CB -0.066 40.707 40.800 -0.046 0.000 0.966 3279 D HN 0.135 nan 8.370 nan 0.000 0.476 3280 L N 0.527 121.722 121.223 -0.047 0.000 2.552 3280 L HA -0.016 4.324 4.340 -0.001 0.000 0.227 3280 L C 1.303 178.198 176.870 0.043 0.000 1.146 3280 L CA 0.478 55.293 54.840 -0.043 0.000 0.858 3280 L CB 0.036 42.066 42.059 -0.049 0.000 0.969 3280 L HN -0.126 nan 8.230 nan 0.000 0.451 3281 D N 0.428 120.845 120.400 0.028 0.000 2.249 3281 D HA -0.077 4.562 4.640 -0.001 0.000 0.205 3281 D C 1.998 178.322 176.300 0.040 0.000 0.962 3281 D CA 0.764 54.787 54.000 0.039 0.000 0.860 3281 D CB 0.255 41.069 40.800 0.023 0.000 0.955 3281 D HN 0.301 nan 8.370 nan 0.000 0.505 3282 K N 0.223 120.641 120.400 0.030 0.000 2.097 3282 K HA -0.014 4.306 4.320 -0.001 0.000 0.205 3282 K C 1.753 178.384 176.600 0.052 0.000 1.050 3282 K CA 0.773 57.078 56.287 0.030 0.000 0.938 3282 K CB 0.326 32.835 32.500 0.015 0.000 0.718 3282 K HN 0.022 nan 8.250 nan 0.000 0.442 3283 V N 0.506 120.470 119.914 0.084 0.000 3.660 3283 V HA 0.014 4.133 4.120 -0.001 0.000 0.276 3283 V C 1.737 177.981 176.094 0.249 0.000 1.317 3283 V CA 0.558 62.955 62.300 0.162 0.000 1.097 3283 V CB 0.197 32.130 31.823 0.184 0.000 0.863 3283 V HN 0.187 nan 8.190 nan 0.000 0.438 3284 E N 1.121 121.445 120.200 0.208 0.000 2.033 3284 E HA -0.075 4.274 4.350 -0.001 0.000 0.189 3284 E C -0.385 176.236 176.600 0.035 0.000 0.979 3284 E CA 1.365 57.847 56.400 0.138 0.000 0.802 3284 E CB -0.642 29.141 29.700 0.140 0.000 0.763 3284 E HN 0.485 nan 8.360 nan 0.000 0.449 3285 P HA -0.118 nan 4.420 nan 0.000 0.217 3285 P C 0.779 178.083 177.300 0.006 0.000 1.150 3285 P CA 1.744 64.855 63.100 0.018 0.000 0.832 3285 P CB -0.010 31.703 31.700 0.022 0.000 0.787 3286 A N -0.595 122.230 122.820 0.008 0.000 1.969 3286 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 3286 A C 2.304 179.873 177.584 -0.025 0.000 1.169 3286 A CA 1.416 53.449 52.037 -0.007 0.000 0.635 3286 A CB -1.575 17.424 19.000 -0.002 0.000 0.810 3286 A HN 0.057 nan 8.150 nan 0.000 0.445 3287 V N -0.059 119.824 119.914 -0.051 0.000 2.453 3287 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 3287 V C 2.352 178.431 176.094 -0.024 0.000 1.048 3287 V CA 1.731 63.971 62.300 -0.099 0.000 1.049 3287 V CB -0.533 31.123 31.823 -0.277 0.000 0.672 3287 V HN 0.564 nan 8.190 nan 0.000 0.457 3288 I N -0.033 120.522 120.570 -0.025 0.000 2.163 3288 I HA -0.229 3.941 4.170 -0.001 0.000 0.240 3288 I C 2.521 178.652 176.117 0.023 0.000 1.081 3288 I CA 1.626 62.928 61.300 0.003 0.000 1.353 3288 I CB -0.422 37.576 38.000 -0.004 0.000 1.054 3288 I HN 0.337 nan 8.210 nan 0.000 0.407 3289 E N 1.103 121.311 120.200 0.013 0.000 2.065 3289 E HA -0.309 4.040 4.350 -0.001 0.000 0.201 3289 E C 2.291 178.904 176.600 0.022 0.000 1.016 3289 E CA 1.680 58.086 56.400 0.011 0.000 0.818 3289 E CB -0.375 29.324 29.700 -0.002 0.000 0.749 3289 E HN 0.553 nan 8.360 nan 0.000 0.453 3290 A N 1.123 123.966 122.820 0.039 0.000 1.908 3290 A HA -0.288 4.031 4.320 -0.001 0.000 0.218 3290 A C 2.109 179.794 177.584 0.168 0.000 1.181 3290 A CA 1.676 53.770 52.037 0.095 0.000 0.627 3290 A CB -0.550 18.529 19.000 0.132 0.000 0.818 3290 A HN 0.211 nan 8.150 nan 0.000 0.445 3291 Q N -0.527 119.394 119.800 0.202 0.000 2.135 3291 Q HA -0.192 4.147 4.340 -0.001 0.000 0.204 3291 Q C 1.725 177.753 176.000 0.046 0.000 0.981 3291 Q CA 1.575 57.465 55.803 0.145 0.000 0.856 3291 Q CB -0.187 28.632 28.738 0.134 0.000 0.902 3291 Q HN 0.669 nan 8.270 nan 0.000 0.425 3292 N N 0.117 118.840 118.700 0.039 0.000 2.250 3292 N HA -0.068 4.671 4.740 -0.001 0.000 0.181 3292 N C 1.573 177.093 175.510 0.016 0.000 1.017 3292 N CA 1.100 54.162 53.050 0.020 0.000 0.866 3292 N CB -0.303 38.195 38.487 0.018 0.000 0.985 3292 N HN 0.198 nan 8.380 nan 0.000 0.429 3293 A N 1.054 123.884 122.820 0.017 0.000 1.883 3293 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 3293 A C 2.403 179.994 177.584 0.012 0.000 1.186 3293 A CA 1.858 53.902 52.037 0.012 0.000 0.624 3293 A CB -0.816 18.178 19.000 -0.010 0.000 0.822 3293 A HN 0.124 nan 8.150 nan 0.000 0.444 3294 V N -0.437 119.473 119.914 -0.006 0.000 2.379 3294 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 3294 V C 2.257 178.335 176.094 -0.027 0.000 1.044 3294 V CA 2.090 64.369 62.300 -0.036 0.000 1.036 3294 V CB -0.920 30.813 31.823 -0.150 0.000 0.664 3294 V HN 0.484 nan 8.190 nan 0.000 0.453 3295 K N 0.620 121.004 120.400 -0.028 0.000 2.218 3295 K HA -0.119 4.200 4.320 -0.001 0.000 0.205 3295 K C 1.944 178.547 176.600 0.005 0.000 1.046 3295 K CA 1.736 58.015 56.287 -0.014 0.000 0.933 3295 K CB -0.181 32.314 32.500 -0.008 0.000 0.728 3295 K HN 0.443 nan 8.250 nan 0.000 0.454 3296 S N 0.312 116.022 115.700 0.017 0.000 2.557 3296 S HA 0.216 4.686 4.470 -0.001 0.000 0.223 3296 S C 0.309 174.945 174.600 0.060 0.000 0.969 3296 S CA -0.361 57.858 58.200 0.031 0.000 0.927 3296 S CB 0.177 63.397 63.200 0.033 0.000 0.806 3296 S HN 0.143 nan 8.310 nan 0.000 0.489 3297 I N 3.162 123.774 120.570 0.069 0.000 2.742 3297 I HA -0.047 4.123 4.170 -0.001 0.000 0.287 3297 I C 0.614 176.811 176.117 0.135 0.000 1.186 3297 I CA 0.201 61.584 61.300 0.138 0.000 1.417 3297 I CB 0.317 38.382 38.000 0.108 0.000 1.377 3297 I HN 0.013 nan 8.210 nan 0.000 0.556 3298 K N 5.663 126.185 120.400 0.202 0.000 2.440 3298 K HA -0.054 4.265 4.320 -0.001 0.000 0.270 3298 K C 0.718 177.229 176.600 -0.149 0.000 0.980 3298 K CA -0.054 56.179 56.287 -0.091 0.000 0.953 3298 K CB 0.465 32.711 32.500 -0.423 0.000 0.925 3298 K HN 0.320 nan 8.250 nan 0.000 0.497 3299 K N 1.629 121.941 120.400 -0.148 0.000 2.525 3299 K HA -0.063 4.256 4.320 -0.001 0.000 0.192 3299 K C 0.961 177.479 176.600 -0.137 0.000 1.029 3299 K CA 0.961 57.182 56.287 -0.109 0.000 1.029 3299 K CB 0.197 32.650 32.500 -0.077 0.000 0.814 3299 K HN 0.443 nan 8.250 nan 0.000 0.503 3300 Q N -1.875 117.781 119.800 -0.241 0.000 2.378 3300 Q HA 0.127 4.466 4.340 -0.001 0.000 0.229 3300 Q C 0.939 176.856 176.000 -0.139 0.000 0.882 3300 Q CA 0.329 56.016 55.803 -0.193 0.000 0.936 3300 Q CB 0.202 28.814 28.738 -0.209 0.000 1.092 3300 Q HN 0.520 nan 8.270 nan 0.000 0.535 3301 H N 0.239 119.297 119.070 -0.020 0.000 2.545 3301 H HA -0.026 4.530 4.556 -0.001 0.000 0.282 3301 H C 1.573 176.879 175.328 -0.037 0.000 1.020 3301 H CA 0.628 56.666 56.048 -0.017 0.000 1.243 3301 H CB 0.152 29.909 29.762 -0.008 0.000 1.377 3301 H HN 0.129 nan 8.280 nan 0.000 0.581 3302 L N -0.336 120.894 121.223 0.011 0.000 2.034 3302 L HA -0.116 4.223 4.340 -0.001 0.000 0.203 3302 L C 2.290 179.126 176.870 -0.056 0.000 1.074 3302 L CA 0.629 55.435 54.840 -0.056 0.000 0.748 3302 L CB -0.342 41.665 42.059 -0.087 0.000 0.905 3302 L HN 0.153 nan 8.230 nan 0.000 0.439 3303 V N 0.971 120.857 119.914 -0.046 0.000 2.392 3303 V HA -0.286 3.833 4.120 -0.001 0.000 0.249 3303 V C 2.518 178.610 176.094 -0.004 0.000 1.059 3303 V CA 2.164 64.445 62.300 -0.032 0.000 1.051 3303 V CB -0.900 30.904 31.823 -0.031 0.000 0.658 3303 V HN 0.632 nan 8.190 nan 0.000 0.455 3304 E N 0.379 120.588 120.200 0.014 0.000 2.085 3304 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 3304 E C 1.942 178.574 176.600 0.053 0.000 0.994 3304 E CA 2.017 58.440 56.400 0.038 0.000 0.801 3304 E CB -0.531 29.209 29.700 0.067 0.000 0.743 3304 E HN 0.417 nan 8.360 nan 0.000 0.453 3305 V N 1.203 121.150 119.914 0.056 0.000 2.725 3305 V HA -0.067 4.052 4.120 -0.001 0.000 0.247 3305 V C 2.384 178.549 176.094 0.118 0.000 1.058 3305 V CA 1.597 63.956 62.300 0.098 0.000 1.080 3305 V CB -0.466 31.410 31.823 0.088 0.000 0.713 3305 V HN 0.386 nan 8.190 nan 0.000 0.465 3306 R N 0.817 121.334 120.500 0.028 0.000 2.317 3306 R HA 0.105 4.444 4.340 -0.001 0.000 0.208 3306 R C 1.623 177.937 176.300 0.023 0.000 0.914 3306 R CA 0.945 57.041 56.100 -0.006 0.000 1.060 3306 R CB -0.134 30.103 30.300 -0.104 0.000 1.015 3306 R HN 0.509 nan 8.270 nan 0.000 0.498 3307 S N -0.044 115.682 115.700 0.044 0.000 2.549 3307 S HA 0.116 4.585 4.470 -0.001 0.000 0.225 3307 S C 0.902 175.540 174.600 0.065 0.000 1.039 3307 S CA -0.672 57.553 58.200 0.042 0.000 0.942 3307 S CB -0.022 63.189 63.200 0.019 0.000 0.881 3307 S HN 0.403 nan 8.310 nan 0.000 0.503 3308 M N 2.129 121.780 119.600 0.085 0.000 2.250 3308 M HA 0.401 4.881 4.480 -0.001 0.000 0.337 3308 M C 0.875 177.243 176.300 0.114 0.000 1.161 3308 M CA 0.662 56.010 55.300 0.079 0.000 1.088 3308 M CB 1.043 33.686 32.600 0.071 0.000 1.639 3308 M HN 0.258 nan 8.290 nan 0.000 0.447 3309 A N 4.074 126.930 122.820 0.060 0.000 1.881 3309 A HA 0.092 4.412 4.320 -0.001 0.000 0.210 3309 A C 0.693 178.286 177.584 0.014 0.000 1.239 3309 A CA 0.781 52.859 52.037 0.068 0.000 0.629 3309 A CB -0.077 18.946 19.000 0.039 0.000 0.906 3309 A HN 0.861 nan 8.150 nan 0.000 0.460 3310 N N 0.717 119.381 118.700 -0.059 0.000 2.479 3310 N HA 0.436 5.176 4.740 -0.001 0.000 0.261 3310 N C -2.771 172.615 175.510 -0.208 0.000 0.979 3310 N CA -2.039 50.910 53.050 -0.167 0.000 0.930 3310 N CB 1.671 40.091 38.487 -0.111 0.000 1.172 3310 N HN 0.170 nan 8.380 nan 0.000 0.499 3311 P HA 0.515 nan 4.420 nan 0.000 0.312 3311 P C -2.753 174.388 177.300 -0.264 0.000 1.308 3311 P CA -0.987 61.922 63.100 -0.317 0.000 0.743 3311 P CB -0.191 31.204 31.700 -0.509 0.000 1.364 3312 P HA 0.202 nan 4.420 nan 0.000 0.282 3312 P C 0.137 177.349 177.300 -0.146 0.000 1.259 3312 P CA -0.339 62.679 63.100 -0.135 0.000 0.826 3312 P CB 0.724 32.377 31.700 -0.078 0.000 1.064 3313 A N 1.750 124.516 122.820 -0.090 0.000 2.067 3313 A HA 0.006 4.326 4.320 -0.001 0.000 0.219 3313 A C 2.104 179.695 177.584 0.012 0.000 1.158 3313 A CA 1.781 53.787 52.037 -0.052 0.000 0.661 3313 A CB -1.356 17.628 19.000 -0.027 0.000 0.801 3313 A HN 0.588 nan 8.150 nan 0.000 0.452 3314 A N 0.003 122.835 122.820 0.020 0.000 1.929 3314 A HA 0.076 4.395 4.320 -0.001 0.000 0.216 3314 A C 2.299 179.946 177.584 0.105 0.000 1.176 3314 A CA 1.727 53.809 52.037 0.074 0.000 0.628 3314 A CB -1.074 17.954 19.000 0.048 0.000 0.816 3314 A HN 1.086 nan 8.150 nan 0.000 0.444 3315 V N -1.780 118.166 119.914 0.054 0.000 2.358 3315 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 3315 V C 2.048 178.259 176.094 0.194 0.000 1.047 3315 V CA 2.305 64.666 62.300 0.101 0.000 1.035 3315 V CB -0.956 30.892 31.823 0.042 0.000 0.658 3315 V HN 0.458 nan 8.190 nan 0.000 0.452 3316 K N 0.005 120.433 120.400 0.046 0.000 2.020 3316 K HA -0.134 4.185 4.320 -0.001 0.000 0.212 3316 K C 2.270 179.090 176.600 0.367 0.000 1.050 3316 K CA 2.361 58.781 56.287 0.222 0.000 0.929 3316 K CB -0.483 32.012 32.500 -0.008 0.000 0.714 3316 K HN 0.492 nan 8.250 nan 0.000 0.443 3317 L N 0.222 121.614 121.223 0.281 0.000 2.013 3317 L HA -0.268 4.071 4.340 -0.001 0.000 0.212 3317 L C 2.548 179.673 176.870 0.426 0.000 1.073 3317 L CA 1.394 56.460 54.840 0.377 0.000 0.753 3317 L CB -0.536 41.735 42.059 0.353 0.000 0.890 3317 L HN 0.289 nan 8.230 nan 0.000 0.432 3318 A N 0.040 123.084 122.820 0.373 0.000 1.865 3318 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 3318 A C 2.180 179.925 177.584 0.268 0.000 1.191 3318 A CA 1.710 53.950 52.037 0.337 0.000 0.623 3318 A CB -0.817 18.315 19.000 0.219 0.000 0.826 3318 A HN 0.388 nan 8.150 nan 0.000 0.444 3319 L N -1.063 120.330 121.223 0.284 0.000 2.093 3319 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 3319 L C 2.602 179.567 176.870 0.158 0.000 1.085 3319 L CA 1.623 56.604 54.840 0.234 0.000 0.755 3319 L CB -0.614 41.598 42.059 0.254 0.000 0.904 3319 L HN 0.611 nan 8.230 nan 0.000 0.435 3320 E N 0.707 121.033 120.200 0.209 0.000 2.086 3320 E HA -0.300 4.049 4.350 -0.001 0.000 0.200 3320 E C 2.263 178.829 176.600 -0.057 0.000 1.012 3320 E CA 2.087 58.576 56.400 0.148 0.000 0.812 3320 E CB -0.001 29.879 29.700 0.300 0.000 0.743 3320 E HN 0.505 nan 8.360 nan 0.000 0.453 3321 S N -0.098 115.458 115.700 -0.240 0.000 2.399 3321 S HA -0.165 4.304 4.470 -0.001 0.000 0.231 3321 S C 2.026 176.490 174.600 -0.226 0.000 1.022 3321 S CA 1.253 59.093 58.200 -0.599 0.000 0.983 3321 S CB -0.444 62.440 63.200 -0.527 0.000 0.803 3321 S HN 0.358 nan 8.310 nan 0.000 0.480 3322 I N 1.995 122.533 120.570 -0.054 0.000 2.286 3322 I HA -0.019 4.150 4.170 -0.001 0.000 0.245 3322 I C 3.033 179.086 176.117 -0.106 0.000 1.104 3322 I CA 0.885 62.179 61.300 -0.010 0.000 1.397 3322 I CB -0.576 37.442 38.000 0.029 0.000 1.072 3322 I HN 0.413 nan 8.210 nan 0.000 0.417 3323 A N 0.919 123.688 122.820 -0.084 0.000 1.908 3323 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 3323 A C 2.359 179.894 177.584 -0.080 0.000 1.181 3323 A CA 1.434 53.420 52.037 -0.086 0.000 0.627 3323 A CB -0.839 18.138 19.000 -0.038 0.000 0.818 3323 A HN 0.429 nan 8.150 nan 0.000 0.445 3324 L N -0.185 120.989 121.223 -0.080 0.000 1.955 3324 L HA -0.185 4.154 4.340 -0.001 0.000 0.213 3324 L C 2.490 179.308 176.870 -0.086 0.000 1.072 3324 L CA 2.218 57.017 54.840 -0.068 0.000 0.755 3324 L CB -0.795 41.201 42.059 -0.104 0.000 0.888 3324 L HN 0.466 nan 8.230 nan 0.000 0.432 3325 L N -0.206 120.933 121.223 -0.140 0.000 2.081 3325 L HA -0.282 4.057 4.340 -0.001 0.000 0.212 3325 L C 2.443 179.133 176.870 -0.300 0.000 1.080 3325 L CA 1.219 55.934 54.840 -0.209 0.000 0.754 3325 L CB -0.442 41.444 42.059 -0.288 0.000 0.893 3325 L HN 0.372 nan 8.230 nan 0.000 0.433 3326 L N -0.595 120.468 121.223 -0.266 0.000 2.591 3326 L HA 0.132 4.471 4.340 -0.001 0.000 0.228 3326 L C 1.408 178.248 176.870 -0.049 0.000 1.133 3326 L CA 0.492 55.207 54.840 -0.208 0.000 0.880 3326 L CB -0.293 41.624 42.059 -0.235 0.000 1.033 3326 L HN 0.497 nan 8.230 nan 0.000 0.450 3327 G N 1.237 110.019 108.800 -0.030 0.000 2.141 3327 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.242 3327 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.242 3327 G C 0.215 175.114 174.900 -0.002 0.000 0.982 3327 G CA 0.303 45.410 45.100 0.011 0.000 0.662 3327 G HN 0.650 nan 8.290 nan 0.000 0.527 3328 E N 0.358 120.543 120.200 -0.024 0.000 3.167 3328 E HA 0.516 4.865 4.350 -0.001 0.000 0.212 3328 E C 0.237 176.828 176.600 -0.015 0.000 1.143 3328 E CA -0.123 56.266 56.400 -0.019 0.000 1.002 3328 E CB 0.478 30.159 29.700 -0.033 0.000 1.315 3328 E HN 0.559 nan 8.360 nan 0.000 0.422 3329 S N 1.736 117.437 115.700 0.002 0.000 2.528 3329 S HA 0.451 4.921 4.470 -0.001 0.000 0.277 3329 S C 0.243 174.861 174.600 0.031 0.000 1.297 3329 S CA -0.034 58.178 58.200 0.019 0.000 1.052 3329 S CB 1.089 64.311 63.200 0.037 0.000 0.917 3329 S HN 0.562 nan 8.310 nan 0.000 0.492 3330 T N -1.823 112.757 114.554 0.043 0.000 2.821 3330 T HA 0.583 4.932 4.350 -0.001 0.000 0.306 3330 T C 0.089 174.839 174.700 0.084 0.000 1.313 3330 T CA -0.241 61.890 62.100 0.052 0.000 1.012 3330 T CB 1.273 70.160 68.868 0.032 0.000 1.298 3330 T HN 0.898 nan 8.240 nan 0.000 0.502 3331 T N -1.529 113.078 114.554 0.088 0.000 3.269 3331 T HA 0.325 4.674 4.350 -0.001 0.000 0.269 3331 T C -0.641 174.139 174.700 0.133 0.000 0.993 3331 T CA -0.447 61.725 62.100 0.119 0.000 0.909 3331 T CB -0.409 68.519 68.868 0.100 0.000 1.115 3331 T HN 0.581 nan 8.240 nan 0.000 0.543 3332 D N 0.894 121.364 120.400 0.118 0.000 2.440 3332 D HA 0.133 4.772 4.640 -0.001 0.000 0.239 3332 D C 0.247 176.636 176.300 0.149 0.000 1.084 3332 D CA -0.626 53.446 54.000 0.120 0.000 0.843 3332 D CB 1.030 41.870 40.800 0.065 0.000 1.097 3332 D HN 0.353 nan 8.370 nan 0.000 0.531 3333 W N 4.530 125.852 121.300 0.037 0.000 2.364 3333 W HA -0.194 4.466 4.660 -0.001 0.000 0.281 3333 W C 1.193 177.732 176.519 0.032 0.000 1.219 3333 W CA 0.881 58.249 57.345 0.038 0.000 1.220 3333 W CB 0.425 29.904 29.460 0.032 0.000 1.127 3333 W HN 0.410 nan 8.180 nan 0.000 0.556 3334 K N 0.077 120.499 120.400 0.038 0.000 1.984 3334 K HA -0.219 4.100 4.320 -0.001 0.000 0.209 3334 K C 2.031 178.554 176.600 -0.128 0.000 1.046 3334 K CA 1.678 57.945 56.287 -0.034 0.000 0.934 3334 K CB -0.858 31.663 32.500 0.035 0.000 0.717 3334 K HN 0.270 nan 8.250 nan 0.000 0.438 3335 Q N 0.773 120.524 119.800 -0.080 0.000 2.045 3335 Q HA -0.200 4.139 4.340 -0.001 0.000 0.206 3335 Q C 2.344 178.251 176.000 -0.155 0.000 0.991 3335 Q CA 1.611 57.364 55.803 -0.084 0.000 0.851 3335 Q CB -0.572 28.143 28.738 -0.038 0.000 0.911 3335 Q HN 0.265 nan 8.270 nan 0.000 0.418 3336 I N 0.719 121.144 120.570 -0.242 0.000 2.091 3336 I HA -0.314 3.855 4.170 -0.001 0.000 0.239 3336 I C 2.670 178.484 176.117 -0.505 0.000 1.061 3336 I CA 1.302 62.376 61.300 -0.377 0.000 1.317 3336 I CB -0.492 37.147 38.000 -0.602 0.000 1.031 3336 I HN 0.155 nan 8.210 nan 0.000 0.401 3337 R N 0.591 120.636 120.500 -0.759 0.000 2.162 3337 R HA -0.247 4.092 4.340 -0.001 0.000 0.245 3337 R C 2.455 178.599 176.300 -0.261 0.000 1.129 3337 R CA 2.507 58.284 56.100 -0.537 0.000 0.940 3337 R CB -0.815 29.268 30.300 -0.362 0.000 0.875 3337 R HN 0.341 nan 8.270 nan 0.000 0.437 3338 S N 0.697 116.290 115.700 -0.180 0.000 2.359 3338 S HA -0.171 4.298 4.470 -0.001 0.000 0.222 3338 S C 2.000 176.565 174.600 -0.059 0.000 1.038 3338 S CA 1.831 59.975 58.200 -0.093 0.000 1.051 3338 S CB -0.341 62.821 63.200 -0.064 0.000 0.944 3338 S HN 0.407 nan 8.310 nan 0.000 0.433 3339 I N 2.042 122.585 120.570 -0.044 0.000 2.179 3339 I HA -0.131 4.039 4.170 -0.001 0.000 0.242 3339 I C 2.421 178.671 176.117 0.222 0.000 1.088 3339 I CA 1.290 62.621 61.300 0.052 0.000 1.357 3339 I CB -1.042 36.977 38.000 0.032 0.000 1.051 3339 I HN 0.341 nan 8.210 nan 0.000 0.409 3340 I N 0.498 121.149 120.570 0.135 0.000 2.700 3340 I HA -0.235 3.935 4.170 -0.001 0.000 0.261 3340 I C 2.194 178.084 176.117 -0.378 0.000 1.219 3340 I CA 1.604 62.812 61.300 -0.153 0.000 1.463 3340 I CB -0.109 37.593 38.000 -0.497 0.000 1.092 3340 I HN 0.263 nan 8.210 nan 0.000 0.452 3341 M N 0.709 120.232 119.600 -0.129 0.000 2.388 3341 M HA 0.071 4.550 4.480 -0.001 0.000 0.265 3341 M C 0.656 176.941 176.300 -0.025 0.000 1.088 3341 M CA 0.320 55.552 55.300 -0.112 0.000 1.134 3341 M CB -0.219 32.331 32.600 -0.084 0.000 1.384 3341 M HN 0.146 nan 8.290 nan 0.000 0.447 3342 R N 1.820 122.352 120.500 0.053 0.000 2.523 3342 R HA -0.137 4.202 4.340 -0.001 0.000 0.281 3342 R C 1.054 177.394 176.300 0.067 0.000 0.969 3342 R CA 0.345 56.481 56.100 0.061 0.000 1.093 3342 R CB 0.046 30.390 30.300 0.073 0.000 0.917 3342 R HN 0.425 nan 8.270 nan 0.000 0.408 3343 E N 3.169 123.387 120.200 0.031 0.000 2.108 3343 E HA -0.328 4.021 4.350 -0.001 0.000 0.203 3343 E C 0.922 177.551 176.600 0.048 0.000 1.022 3343 E CA 2.431 58.846 56.400 0.025 0.000 0.823 3343 E CB -0.007 29.699 29.700 0.010 0.000 0.744 3343 E HN 0.730 nan 8.360 nan 0.000 0.456 3344 N N -0.205 118.522 118.700 0.045 0.000 2.571 3344 N HA -0.115 4.624 4.740 -0.001 0.000 0.189 3344 N C 1.398 176.934 175.510 0.044 0.000 1.154 3344 N CA 0.543 53.611 53.050 0.030 0.000 0.907 3344 N CB -0.571 37.919 38.487 0.005 0.000 0.977 3344 N HN 0.288 nan 8.380 nan 0.000 0.449 3345 F N 1.319 121.226 119.950 -0.071 0.000 2.026 3345 F HA -0.153 4.373 4.527 -0.001 0.000 0.296 3345 F C 1.915 177.640 175.800 -0.125 0.000 1.133 3345 F CA 1.412 59.354 58.000 -0.097 0.000 1.188 3345 F CB 0.008 38.950 39.000 -0.097 0.000 0.968 3345 F HN -0.043 nan 8.300 nan 0.000 0.476 3346 I N 1.089 121.847 120.570 0.313 0.000 2.142 3346 I HA -0.170 3.999 4.170 -0.001 0.000 0.240 3346 I C -0.430 175.660 176.117 -0.045 0.000 1.078 3346 I CA 1.442 62.815 61.300 0.122 0.000 1.343 3346 I CB -3.048 35.007 38.000 0.091 0.000 1.046 3346 I HN 0.132 nan 8.210 nan 0.000 0.405 3347 P HA -0.187 nan 4.420 nan 0.000 0.217 3347 P C 1.795 179.060 177.300 -0.057 0.000 1.148 3347 P CA 2.312 65.392 63.100 -0.033 0.000 0.834 3347 P CB -0.247 31.446 31.700 -0.012 0.000 0.783 3348 T N -3.004 111.493 114.554 -0.095 0.000 3.054 3348 T HA -0.003 4.346 4.350 -0.001 0.000 0.259 3348 T C 1.720 176.351 174.700 -0.116 0.000 1.092 3348 T CA 0.306 62.357 62.100 -0.081 0.000 1.121 3348 T CB -0.957 67.860 68.868 -0.086 0.000 0.912 3348 T HN 0.177 nan 8.240 nan 0.000 0.489 3349 I N -0.083 120.289 120.570 -0.330 0.000 2.406 3349 I HA 0.091 4.260 4.170 -0.001 0.000 0.249 3349 I C 2.051 177.953 176.117 -0.358 0.000 1.122 3349 I CA 0.730 61.676 61.300 -0.589 0.000 1.431 3349 I CB -0.321 36.951 38.000 -1.215 0.000 1.087 3349 I HN 0.042 nan 8.210 nan 0.000 0.424 3350 V N 2.410 122.182 119.914 -0.237 0.000 2.759 3350 V HA -0.141 3.979 4.120 -0.001 0.000 0.256 3350 V C 1.767 177.879 176.094 0.031 0.000 1.080 3350 V CA 1.702 63.947 62.300 -0.092 0.000 1.101 3350 V CB -1.001 30.777 31.823 -0.075 0.000 0.698 3350 V HN 0.558 nan 8.190 nan 0.000 0.477 3351 N N -1.159 117.568 118.700 0.045 0.000 2.254 3351 N HA 0.106 4.845 4.740 -0.001 0.000 0.190 3351 N C 0.319 175.909 175.510 0.134 0.000 1.107 3351 N CA -0.094 52.997 53.050 0.068 0.000 0.869 3351 N CB 0.363 38.868 38.487 0.032 0.000 0.983 3351 N HN 0.478 nan 8.380 nan 0.000 0.487 3352 F N 2.570 122.571 119.950 0.085 0.000 2.518 3352 F HA 0.120 4.647 4.527 -0.001 0.000 0.359 3352 F C 0.732 176.618 175.800 0.143 0.000 1.118 3352 F CA -0.500 57.591 58.000 0.152 0.000 1.287 3352 F CB 0.751 39.935 39.000 0.308 0.000 1.132 3352 F HN -0.189 nan 8.300 nan 0.000 0.587 3353 S N 5.080 120.310 115.700 -0.785 0.000 2.502 3353 S HA 0.621 5.090 4.470 -0.001 0.000 0.304 3353 S C 0.563 174.742 174.600 -0.702 0.000 1.097 3353 S CA -0.343 57.535 58.200 -0.537 0.000 1.045 3353 S CB 1.420 64.439 63.200 -0.300 0.000 1.019 3353 S HN 1.116 nan 8.310 nan 0.000 0.481 3354 A N 3.271 125.928 122.820 -0.271 0.000 2.042 3354 A HA -0.110 4.209 4.320 -0.001 0.000 0.222 3354 A C 1.958 179.523 177.584 -0.032 0.000 1.167 3354 A CA 1.642 53.661 52.037 -0.029 0.000 0.649 3354 A CB -0.716 18.437 19.000 0.254 0.000 0.809 3354 A HN 0.886 nan 8.150 nan 0.000 0.457 3355 E N -0.001 120.162 120.200 -0.062 0.000 2.209 3355 E HA -0.202 4.148 4.350 -0.001 0.000 0.196 3355 E C 1.615 178.160 176.600 -0.092 0.000 0.993 3355 E CA 1.358 57.725 56.400 -0.054 0.000 0.819 3355 E CB -0.291 29.380 29.700 -0.048 0.000 0.745 3355 E HN 0.819 nan 8.360 nan 0.000 0.477 3356 E N 0.011 120.080 120.200 -0.217 0.000 2.358 3356 E HA 0.007 4.357 4.350 -0.001 0.000 0.195 3356 E C 0.284 176.917 176.600 0.054 0.000 1.010 3356 E CA -0.053 56.268 56.400 -0.132 0.000 0.856 3356 E CB 0.132 29.666 29.700 -0.277 0.000 0.795 3356 E HN 0.188 nan 8.360 nan 0.000 0.504 3357 I N 1.716 122.346 120.570 0.101 0.000 2.471 3357 I HA -0.031 4.139 4.170 -0.001 0.000 0.286 3357 I C 0.693 176.857 176.117 0.079 0.000 1.079 3357 I CA -0.308 61.090 61.300 0.163 0.000 1.398 3357 I CB 0.932 39.035 38.000 0.171 0.000 1.403 3357 I HN -0.019 nan 8.210 nan 0.000 0.530 3358 S N 3.285 119.028 115.700 0.070 0.000 2.707 3358 S HA 0.269 4.738 4.470 -0.001 0.000 0.276 3358 S C 0.669 175.288 174.600 0.032 0.000 1.179 3358 S CA -0.703 57.522 58.200 0.042 0.000 0.992 3358 S CB 1.387 64.610 63.200 0.039 0.000 1.030 3358 S HN 0.577 nan 8.310 nan 0.000 0.554 3359 D N 1.517 121.930 120.400 0.021 0.000 2.103 3359 D HA -0.080 4.560 4.640 -0.001 0.000 0.190 3359 D C 2.246 178.558 176.300 0.019 0.000 0.997 3359 D CA 2.190 56.199 54.000 0.016 0.000 0.833 3359 D CB -1.066 39.740 40.800 0.010 0.000 0.961 3359 D HN 0.714 nan 8.370 nan 0.000 0.447 3360 A N 0.789 123.622 122.820 0.021 0.000 1.940 3360 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 3360 A C 2.215 179.816 177.584 0.028 0.000 1.176 3360 A CA 1.043 53.093 52.037 0.022 0.000 0.631 3360 A CB -0.554 18.459 19.000 0.022 0.000 0.814 3360 A HN 0.169 nan 8.150 nan 0.000 0.446 3361 I N -0.612 119.977 120.570 0.032 0.000 2.286 3361 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 3361 I C 2.588 178.724 176.117 0.031 0.000 1.104 3361 I CA 1.221 62.542 61.300 0.035 0.000 1.397 3361 I CB -1.259 36.765 38.000 0.040 0.000 1.072 3361 I HN 0.378 nan 8.210 nan 0.000 0.417 3362 R N 0.962 121.479 120.500 0.028 0.000 2.080 3362 R HA -0.200 4.139 4.340 -0.001 0.000 0.236 3362 R C 2.172 178.486 176.300 0.025 0.000 1.137 3362 R CA 1.595 57.709 56.100 0.023 0.000 0.943 3362 R CB -0.425 29.887 30.300 0.019 0.000 0.846 3362 R HN 0.482 nan 8.270 nan 0.000 0.431 3363 E N 0.671 120.884 120.200 0.022 0.000 2.048 3363 E HA -0.271 4.079 4.350 -0.001 0.000 0.202 3363 E C 2.076 178.691 176.600 0.025 0.000 1.021 3363 E CA 1.592 58.003 56.400 0.019 0.000 0.825 3363 E CB -0.117 29.591 29.700 0.014 0.000 0.756 3363 E HN 0.216 nan 8.360 nan 0.000 0.454 3364 K N 0.222 120.644 120.400 0.036 0.000 2.032 3364 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 3364 K C 2.062 178.722 176.600 0.099 0.000 1.048 3364 K CA 1.189 57.508 56.287 0.054 0.000 0.927 3364 K CB 0.043 32.584 32.500 0.069 0.000 0.712 3364 K HN 0.044 nan 8.250 nan 0.000 0.441 3365 M N 0.472 120.132 119.600 0.101 0.000 2.632 3365 M HA -0.117 4.363 4.480 -0.001 0.000 0.256 3365 M C 1.379 177.727 176.300 0.080 0.000 1.080 3365 M CA 1.388 56.761 55.300 0.123 0.000 1.084 3365 M CB -0.103 32.507 32.600 0.017 0.000 1.439 3365 M HN 0.137 nan 8.290 nan 0.000 0.509 3366 K N -0.185 120.244 120.400 0.048 0.000 2.225 3366 K HA 0.015 4.335 4.320 -0.001 0.000 0.204 3366 K C 1.879 178.481 176.600 0.003 0.000 1.047 3366 K CA 0.451 56.756 56.287 0.029 0.000 0.970 3366 K CB 0.351 32.865 32.500 0.024 0.000 0.939 3366 K HN 0.186 nan 8.250 nan 0.000 0.472 3367 K N 0.631 121.027 120.400 -0.007 0.000 2.097 3367 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 3367 K C 1.591 178.138 176.600 -0.088 0.000 1.049 3367 K CA 1.532 57.798 56.287 -0.034 0.000 0.933 3367 K CB -0.114 32.370 32.500 -0.028 0.000 0.717 3367 K HN 0.009 nan 8.250 nan 0.000 0.442 3368 N N -0.620 118.002 118.700 -0.129 0.000 2.368 3368 N HA 0.013 4.753 4.740 -0.001 0.000 0.178 3368 N C 1.044 176.234 175.510 -0.533 0.000 1.021 3368 N CA 0.979 53.817 53.050 -0.353 0.000 0.875 3368 N CB 0.189 38.435 38.487 -0.402 0.000 1.020 3368 N HN 0.190 nan 8.380 nan 0.000 0.433 3369 Y N -1.132 119.036 120.300 -0.221 0.000 2.589 3369 Y HA 0.279 4.828 4.550 -0.001 0.000 0.271 3369 Y C 1.558 177.183 175.900 -0.458 0.000 1.107 3369 Y CA -0.042 57.777 58.100 -0.470 0.000 1.273 3369 Y CB 0.151 38.113 38.460 -0.830 0.000 1.266 3369 Y HN -0.102 nan 8.280 nan 0.000 0.504 3370 M N -0.666 118.912 119.600 -0.037 0.000 2.296 3370 M HA -0.105 4.374 4.480 -0.001 0.000 0.265 3370 M C 2.118 178.474 176.300 0.092 0.000 1.064 3370 M CA 1.023 56.392 55.300 0.114 0.000 1.109 3370 M CB -1.082 31.577 32.600 0.099 0.000 1.396 3370 M HN 0.087 nan 8.290 nan 0.000 0.430 3371 S N 0.492 116.202 115.700 0.017 0.000 2.436 3371 S HA 0.002 4.471 4.470 -0.001 0.000 0.228 3371 S C 1.000 175.612 174.600 0.021 0.000 1.014 3371 S CA 0.040 58.245 58.200 0.009 0.000 0.950 3371 S CB -0.136 63.047 63.200 -0.028 0.000 0.784 3371 S HN 0.457 nan 8.310 nan 0.000 0.504 3372 N N 1.428 120.141 118.700 0.022 0.000 2.518 3372 N HA 0.114 4.853 4.740 -0.001 0.000 0.266 3372 N C -2.069 173.512 175.510 0.119 0.000 1.196 3372 N CA -1.276 51.806 53.050 0.052 0.000 0.947 3372 N CB 1.464 39.976 38.487 0.043 0.000 1.098 3372 N HN 0.098 nan 8.380 nan 0.000 0.450 3373 P HA 0.107 nan 4.420 nan 0.000 0.239 3373 P C 0.457 177.814 177.300 0.094 0.000 1.188 3373 P CA 0.475 63.626 63.100 0.084 0.000 0.794 3373 P CB 0.429 32.158 31.700 0.049 0.000 0.937 3374 S N -1.381 114.385 115.700 0.111 0.000 2.558 3374 S HA -0.010 4.459 4.470 -0.001 0.000 0.217 3374 S C 0.559 175.262 174.600 0.170 0.000 0.975 3374 S CA -0.219 58.046 58.200 0.107 0.000 0.912 3374 S CB -0.728 62.525 63.200 0.088 0.000 0.776 3374 S HN 0.104 nan 8.310 nan 0.000 0.526 3375 Y N 3.604 123.954 120.300 0.083 0.000 2.623 3375 Y HA 0.437 4.987 4.550 -0.001 0.000 0.341 3375 Y C -0.153 175.809 175.900 0.105 0.000 1.292 3375 Y CA -0.970 57.201 58.100 0.118 0.000 1.840 3375 Y CB -0.942 37.611 38.460 0.155 0.000 1.865 3375 Y HN 0.059 nan 8.280 nan 0.000 0.440 3376 N N 1.828 120.493 118.700 -0.058 0.000 2.287 3376 N HA 0.099 4.838 4.740 -0.001 0.000 0.289 3376 N C 0.148 175.642 175.510 -0.027 0.000 1.066 3376 N CA -0.653 52.371 53.050 -0.044 0.000 0.841 3376 N CB 0.648 39.143 38.487 0.014 0.000 1.599 3376 N HN 0.246 nan 8.380 nan 0.000 0.476 3377 Y N 2.714 122.940 120.300 -0.124 0.000 2.030 3377 Y HA -0.223 4.326 4.550 -0.001 0.000 0.274 3377 Y C 1.345 177.212 175.900 -0.056 0.000 1.153 3377 Y CA 2.260 60.306 58.100 -0.091 0.000 1.115 3377 Y CB -0.258 38.165 38.460 -0.062 0.000 0.969 3377 Y HN 0.702 nan 8.280 nan 0.000 0.488 3378 E N 0.116 120.104 120.200 -0.352 0.000 2.085 3378 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 3378 E C 2.193 178.655 176.600 -0.230 0.000 0.994 3378 E CA 1.362 57.516 56.400 -0.410 0.000 0.801 3378 E CB -0.529 29.044 29.700 -0.211 0.000 0.743 3378 E HN 0.425 nan 8.360 nan 0.000 0.453 3379 I N 0.377 120.874 120.570 -0.121 0.000 2.361 3379 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 3379 I C 1.775 177.852 176.117 -0.066 0.000 1.133 3379 I CA 1.207 62.466 61.300 -0.069 0.000 1.413 3379 I CB -0.285 37.703 38.000 -0.022 0.000 1.073 3379 I HN 0.057 nan 8.210 nan 0.000 0.424 3380 V N -2.647 117.222 119.914 -0.076 0.000 3.635 3380 V HA 0.227 4.346 4.120 -0.001 0.000 0.266 3380 V C 1.766 177.825 176.094 -0.059 0.000 1.316 3380 V CA 0.500 62.775 62.300 -0.042 0.000 1.060 3380 V CB -0.865 30.961 31.823 0.005 0.000 0.820 3380 V HN 0.196 nan 8.190 nan 0.000 0.447 3381 N N 1.227 119.834 118.700 -0.155 0.000 2.585 3381 N HA -0.060 4.679 4.740 -0.001 0.000 0.188 3381 N C 1.781 177.187 175.510 -0.175 0.000 1.102 3381 N CA 1.167 54.094 53.050 -0.204 0.000 0.920 3381 N CB -0.251 37.848 38.487 -0.647 0.000 0.963 3381 N HN 0.535 nan 8.380 nan 0.000 0.447 3382 R N -0.990 119.424 120.500 -0.143 0.000 2.105 3382 R HA 0.242 4.581 4.340 -0.001 0.000 0.214 3382 R C 1.989 178.247 176.300 -0.069 0.000 1.091 3382 R CA 0.887 56.924 56.100 -0.106 0.000 1.007 3382 R CB -0.151 30.091 30.300 -0.096 0.000 0.912 3382 R HN 0.165 nan 8.270 nan 0.000 0.450 3383 A N 0.364 123.152 122.820 -0.054 0.000 1.897 3383 A HA -0.019 4.300 4.320 -0.001 0.000 0.215 3383 A C 1.075 178.643 177.584 -0.027 0.000 1.181 3383 A CA 1.134 53.150 52.037 -0.035 0.000 0.620 3383 A CB 0.062 19.046 19.000 -0.027 0.000 0.821 3383 A HN 0.217 nan 8.150 nan 0.000 0.443 3384 S N -1.254 114.431 115.700 -0.025 0.000 2.672 3384 S HA 0.517 4.986 4.470 -0.001 0.000 0.291 3384 S C 0.215 174.783 174.600 -0.055 0.000 1.145 3384 S CA -0.659 57.530 58.200 -0.018 0.000 1.013 3384 S CB 0.892 64.109 63.200 0.028 0.000 1.017 3384 S HN 0.265 nan 8.310 nan 0.000 0.487 3385 L N 3.532 124.667 121.223 -0.146 0.000 2.552 3385 L HA 0.102 4.442 4.340 -0.001 0.000 0.227 3385 L C 2.187 178.939 176.870 -0.196 0.000 1.146 3385 L CA 1.117 55.795 54.840 -0.270 0.000 0.858 3385 L CB -0.518 41.150 42.059 -0.653 0.000 0.969 3385 L HN 0.866 nan 8.230 nan 0.000 0.451 3386 A N -0.629 122.152 122.820 -0.064 0.000 1.973 3386 A HA 0.195 4.514 4.320 -0.001 0.000 0.210 3386 A C 2.314 179.931 177.584 0.055 0.000 1.200 3386 A CA 0.903 52.957 52.037 0.028 0.000 0.707 3386 A CB -0.095 18.945 19.000 0.066 0.000 0.862 3386 A HN 0.299 nan 8.150 nan 0.000 0.461 3387 A N -0.408 122.452 122.820 0.068 0.000 2.081 3387 A HA 0.345 4.664 4.320 -0.001 0.000 0.214 3387 A C 2.184 179.839 177.584 0.119 0.000 1.158 3387 A CA 1.298 53.398 52.037 0.105 0.000 0.724 3387 A CB -0.956 18.119 19.000 0.126 0.000 0.826 3387 A HN 0.584 nan 8.150 nan 0.000 0.463 3388 G N 1.108 109.987 108.800 0.133 0.000 2.514 3388 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 3388 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 3388 G C -0.318 174.743 174.900 0.268 0.000 1.198 3388 G CA 1.413 46.693 45.100 0.301 0.000 0.780 3388 G HN 0.495 nan 8.290 nan 0.000 0.565 3389 P HA 0.008 nan 4.420 nan 0.000 0.221 3389 P C 2.078 179.413 177.300 0.059 0.000 1.150 3389 P CA 0.930 64.030 63.100 0.001 0.000 0.800 3389 P CB -0.072 31.643 31.700 0.027 0.000 0.787 3390 M N -0.811 118.849 119.600 0.099 0.000 2.213 3390 M HA -0.115 4.365 4.480 -0.001 0.000 0.263 3390 M C 2.044 178.469 176.300 0.208 0.000 1.062 3390 M CA 1.611 57.006 55.300 0.159 0.000 1.105 3390 M CB -0.716 31.970 32.600 0.144 0.000 1.385 3390 M HN -0.091 nan 8.290 nan 0.000 0.417 3391 V N -1.436 118.535 119.914 0.095 0.000 2.788 3391 V HA -0.111 4.008 4.120 -0.001 0.000 0.251 3391 V C 1.975 178.045 176.094 -0.040 0.000 1.068 3391 V CA 1.488 63.779 62.300 -0.014 0.000 1.090 3391 V CB -0.472 31.194 31.823 -0.262 0.000 0.710 3391 V HN 0.350 nan 8.190 nan 0.000 0.467 3392 K N -0.619 119.731 120.400 -0.083 0.000 2.057 3392 K HA -0.215 4.104 4.320 -0.001 0.000 0.207 3392 K C 1.805 178.406 176.600 0.001 0.000 1.049 3392 K CA 2.364 58.569 56.287 -0.137 0.000 0.931 3392 K CB -0.516 31.781 32.500 -0.338 0.000 0.714 3392 K HN 0.763 nan 8.250 nan 0.000 0.440 3393 W N 0.751 121.993 121.300 -0.096 0.000 2.379 3393 W HA -0.161 4.499 4.660 -0.000 0.000 0.307 3393 W C 1.888 178.393 176.519 -0.023 0.000 1.200 3393 W CA 2.012 59.324 57.345 -0.054 0.000 1.297 3393 W CB -0.419 29.014 29.460 -0.044 0.000 1.140 3393 W HN 0.118 nan 8.180 nan 0.000 0.507 3394 A N 0.757 123.606 122.820 0.049 0.000 1.865 3394 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 3394 A C 2.046 179.545 177.584 -0.141 0.000 1.191 3394 A CA 2.222 54.168 52.037 -0.152 0.000 0.623 3394 A CB -1.140 17.940 19.000 0.133 0.000 0.826 3394 A HN 0.400 nan 8.150 nan 0.000 0.444 3395 I N -0.264 120.295 120.570 -0.019 0.000 2.099 3395 I HA -0.346 3.824 4.170 -0.001 0.000 0.239 3395 I C 3.052 179.132 176.117 -0.062 0.000 1.066 3395 I CA 1.260 62.562 61.300 0.003 0.000 1.324 3395 I CB -0.549 37.467 38.000 0.028 0.000 1.037 3395 I HN 0.388 nan 8.210 nan 0.000 0.401 3396 A N 0.186 122.945 122.820 -0.101 0.000 1.915 3396 A HA -0.300 4.019 4.320 -0.001 0.000 0.220 3396 A C 2.228 179.726 177.584 -0.143 0.000 1.198 3396 A CA 1.865 53.837 52.037 -0.108 0.000 0.647 3396 A CB -0.707 18.219 19.000 -0.123 0.000 0.825 3396 A HN 0.505 nan 8.150 nan 0.000 0.456 3397 Q N -0.952 118.653 119.800 -0.326 0.000 2.291 3397 Q HA -0.035 4.304 4.340 -0.001 0.000 0.205 3397 Q C 2.083 178.027 176.000 -0.093 0.000 0.970 3397 Q CA 0.957 56.573 55.803 -0.311 0.000 0.876 3397 Q CB -0.269 28.070 28.738 -0.664 0.000 0.935 3397 Q HN 0.772 nan 8.270 nan 0.000 0.455 3398 L N 0.620 121.792 121.223 -0.086 0.000 2.127 3398 L HA -0.081 4.259 4.340 -0.001 0.000 0.203 3398 L C 1.599 178.478 176.870 0.016 0.000 1.080 3398 L CA 0.689 55.517 54.840 -0.020 0.000 0.768 3398 L CB -0.069 41.983 42.059 -0.011 0.000 0.924 3398 L HN 0.165 nan 8.230 nan 0.000 0.444 3399 N N -0.481 118.233 118.700 0.022 0.000 2.166 3399 N HA -0.250 4.489 4.740 -0.001 0.000 0.186 3399 N C 1.631 177.171 175.510 0.050 0.000 1.019 3399 N CA 1.333 54.402 53.050 0.032 0.000 0.856 3399 N CB -0.431 38.075 38.487 0.033 0.000 0.993 3399 N HN 0.380 nan 8.380 nan 0.000 0.426 3400 Y N 1.724 121.990 120.300 -0.056 0.000 2.133 3400 Y HA -0.084 4.465 4.550 -0.001 0.000 0.287 3400 Y C 2.409 178.281 175.900 -0.045 0.000 1.134 3400 Y CA 1.657 59.725 58.100 -0.053 0.000 1.133 3400 Y CB -0.520 37.899 38.460 -0.069 0.000 0.987 3400 Y HN 0.065 nan 8.280 nan 0.000 0.502 3401 A N 0.067 122.952 122.820 0.109 0.000 1.948 3401 A HA -0.245 4.075 4.320 -0.001 0.000 0.220 3401 A C 1.919 179.480 177.584 -0.037 0.000 1.177 3401 A CA 2.218 54.271 52.037 0.026 0.000 0.636 3401 A CB -0.863 18.168 19.000 0.052 0.000 0.815 3401 A HN 0.557 nan 8.150 nan 0.000 0.449 3402 D N -1.273 119.110 120.400 -0.028 0.000 2.144 3402 D HA -0.105 4.535 4.640 -0.001 0.000 0.200 3402 D C 1.823 178.079 176.300 -0.074 0.000 0.978 3402 D CA 1.490 55.468 54.000 -0.037 0.000 0.833 3402 D CB -0.287 40.503 40.800 -0.016 0.000 0.961 3402 D HN 0.391 nan 8.370 nan 0.000 0.470 3403 M N 0.490 120.018 119.600 -0.119 0.000 2.067 3403 M HA -0.059 4.421 4.480 -0.001 0.000 0.260 3403 M C 1.998 178.184 176.300 -0.190 0.000 1.069 3403 M CA 1.182 56.385 55.300 -0.161 0.000 1.117 3403 M CB -0.523 31.946 32.600 -0.218 0.000 1.334 3403 M HN -0.072 nan 8.290 nan 0.000 0.407 3404 L N -0.275 120.786 121.223 -0.269 0.000 2.137 3404 L HA -0.300 4.039 4.340 -0.001 0.000 0.213 3404 L C 2.503 179.302 176.870 -0.118 0.000 1.085 3404 L CA 1.792 56.504 54.840 -0.214 0.000 0.760 3404 L CB -1.222 40.711 42.059 -0.211 0.000 0.893 3404 L HN 0.422 nan 8.230 nan 0.000 0.434 3405 K N 1.117 121.462 120.400 -0.092 0.000 2.062 3405 K HA -0.168 4.151 4.320 -0.001 0.000 0.205 3405 K C 2.278 178.847 176.600 -0.051 0.000 1.051 3405 K CA 1.343 57.596 56.287 -0.058 0.000 0.941 3405 K CB 0.140 32.615 32.500 -0.041 0.000 0.719 3405 K HN 0.284 nan 8.250 nan 0.000 0.440 3406 R N 0.074 120.540 120.500 -0.057 0.000 2.100 3406 R HA 0.060 4.399 4.340 -0.001 0.000 0.220 3406 R C 2.074 178.345 176.300 -0.048 0.000 1.091 3406 R CA 0.643 56.716 56.100 -0.045 0.000 0.986 3406 R CB -0.707 29.569 30.300 -0.041 0.000 0.888 3406 R HN -0.080 nan 8.270 nan 0.000 0.444 3407 V N 2.123 121.999 119.914 -0.064 0.000 3.330 3407 V HA -0.192 3.927 4.120 -0.001 0.000 0.273 3407 V C 2.116 178.177 176.094 -0.054 0.000 1.179 3407 V CA 1.659 63.921 62.300 -0.063 0.000 1.174 3407 V CB -0.631 31.138 31.823 -0.090 0.000 0.794 3407 V HN 0.328 nan 8.190 nan 0.000 0.527 3408 E N 1.750 121.919 120.200 -0.050 0.000 2.005 3408 E HA -0.175 4.174 4.350 -0.001 0.000 0.198 3408 E C -0.045 176.537 176.600 -0.031 0.000 1.010 3408 E CA 2.269 58.645 56.400 -0.040 0.000 0.825 3408 E CB -1.049 28.630 29.700 -0.035 0.000 0.769 3408 E HN 0.461 nan 8.360 nan 0.000 0.456 3409 P HA -0.109 nan 4.420 nan 0.000 0.223 3409 P C 1.235 178.523 177.300 -0.020 0.000 1.151 3409 P CA 0.911 63.999 63.100 -0.021 0.000 0.787 3409 P CB 0.046 31.735 31.700 -0.018 0.000 0.788 3410 L N 0.092 121.300 121.223 -0.025 0.000 1.988 3410 L HA -0.041 4.298 4.340 -0.001 0.000 0.207 3410 L C 2.596 179.453 176.870 -0.022 0.000 1.071 3410 L CA 1.752 56.578 54.840 -0.023 0.000 0.744 3410 L CB -1.636 40.406 42.059 -0.028 0.000 0.893 3410 L HN 0.011 nan 8.230 nan 0.000 0.433 3411 R N -0.032 120.452 120.500 -0.027 0.000 2.328 3411 R HA -0.107 4.232 4.340 -0.001 0.000 0.207 3411 R C 1.891 178.179 176.300 -0.020 0.000 1.056 3411 R CA 0.428 56.513 56.100 -0.025 0.000 1.016 3411 R CB -0.185 30.097 30.300 -0.031 0.000 0.872 3411 R HN 0.381 nan 8.270 nan 0.000 0.471 3412 N N 0.930 119.619 118.700 -0.019 0.000 2.336 3412 N HA -0.122 4.618 4.740 -0.001 0.000 0.177 3412 N C 1.500 177.002 175.510 -0.013 0.000 1.018 3412 N CA 0.874 53.914 53.050 -0.016 0.000 0.878 3412 N CB 0.264 38.741 38.487 -0.016 0.000 0.997 3412 N HN 0.256 nan 8.380 nan 0.000 0.433 3413 E N 0.528 120.720 120.200 -0.013 0.000 2.110 3413 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 3413 E C 2.007 178.601 176.600 -0.010 0.000 0.988 3413 E CA 0.602 56.995 56.400 -0.011 0.000 0.804 3413 E CB 0.009 29.703 29.700 -0.010 0.000 0.745 3413 E HN 0.301 nan 8.360 nan 0.000 0.458 3414 L N 0.614 121.831 121.223 -0.011 0.000 1.989 3414 L HA -0.268 4.071 4.340 -0.001 0.000 0.211 3414 L C 2.893 179.757 176.870 -0.010 0.000 1.071 3414 L CA 1.749 56.583 54.840 -0.011 0.000 0.749 3414 L CB -0.656 41.396 42.059 -0.012 0.000 0.890 3414 L HN 0.252 nan 8.230 nan 0.000 0.431 3415 Q N 0.666 120.460 119.800 -0.010 0.000 2.096 3415 Q HA -0.253 4.086 4.340 -0.001 0.000 0.208 3415 Q C 2.041 178.036 176.000 -0.009 0.000 0.993 3415 Q CA 1.992 57.789 55.803 -0.010 0.000 0.862 3415 Q CB -0.036 28.696 28.738 -0.010 0.000 0.915 3415 Q HN 0.356 nan 8.270 nan 0.000 0.416 3416 K N -0.303 120.092 120.400 -0.008 0.000 1.991 3416 K HA -0.052 4.268 4.320 -0.001 0.000 0.207 3416 K C 2.238 178.833 176.600 -0.008 0.000 1.045 3416 K CA 1.377 57.659 56.287 -0.008 0.000 0.937 3416 K CB -0.354 32.142 32.500 -0.007 0.000 0.720 3416 K HN 0.209 nan 8.250 nan 0.000 0.438 3417 L N 1.488 122.706 121.223 -0.008 0.000 2.064 3417 L HA -0.281 4.059 4.340 -0.001 0.000 0.216 3417 L C 2.243 179.107 176.870 -0.009 0.000 1.077 3417 L CA 1.577 56.412 54.840 -0.008 0.000 0.766 3417 L CB -0.519 41.535 42.059 -0.007 0.000 0.890 3417 L HN 0.293 nan 8.230 nan 0.000 0.435 3418 E N -0.455 119.739 120.200 -0.010 0.000 2.152 3418 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 3418 E C 1.687 178.280 176.600 -0.011 0.000 0.983 3418 E CA 0.979 57.373 56.400 -0.011 0.000 0.818 3418 E CB 0.005 29.699 29.700 -0.010 0.000 0.758 3418 E HN 0.489 nan 8.360 nan 0.000 0.467 3419 D N 0.918 121.312 120.400 -0.009 0.000 2.149 3419 D HA -0.115 4.525 4.640 -0.001 0.000 0.201 3419 D C 1.337 177.631 176.300 -0.010 0.000 0.972 3419 D CA 0.862 54.857 54.000 -0.009 0.000 0.835 3419 D CB -0.214 40.582 40.800 -0.007 0.000 0.966 3419 D HN 0.071 nan 8.370 nan 0.000 0.476 3420 D N 0.444 120.838 120.400 -0.009 0.000 2.219 3420 D HA -0.049 4.590 4.640 -0.001 0.000 0.205 3420 D C 1.922 178.215 176.300 -0.013 0.000 0.970 3420 D CA 0.859 54.854 54.000 -0.010 0.000 0.851 3420 D CB -0.148 40.648 40.800 -0.008 0.000 0.943 3420 D HN 0.147 nan 8.370 nan 0.000 0.488 3421 A N 1.086 123.897 122.820 -0.015 0.000 1.872 3421 A HA -0.152 4.168 4.320 -0.001 0.000 0.214 3421 A C 2.052 179.621 177.584 -0.025 0.000 1.187 3421 A CA 1.134 53.157 52.037 -0.022 0.000 0.614 3421 A CB -0.252 18.734 19.000 -0.024 0.000 0.826 3421 A HN 0.105 nan 8.150 nan 0.000 0.442 3422 K N -0.308 120.080 120.400 -0.019 0.000 2.097 3422 K HA -0.134 4.185 4.320 -0.001 0.000 0.205 3422 K C 1.490 178.081 176.600 -0.016 0.000 1.050 3422 K CA 1.361 57.638 56.287 -0.017 0.000 0.938 3422 K CB -0.248 32.245 32.500 -0.012 0.000 0.718 3422 K HN 0.350 nan 8.250 nan 0.000 0.442 3423 D N 0.886 121.278 120.400 -0.014 0.000 2.116 3423 D HA -0.151 4.488 4.640 -0.001 0.000 0.193 3423 D C 1.621 177.912 176.300 -0.015 0.000 0.998 3423 D CA 1.088 55.081 54.000 -0.012 0.000 0.836 3423 D CB -0.204 40.590 40.800 -0.010 0.000 0.951 3423 D HN 0.124 nan 8.370 nan 0.000 0.449 3424 N N 0.179 118.868 118.700 -0.019 0.000 2.270 3424 N HA -0.087 4.652 4.740 -0.001 0.000 0.181 3424 N C 1.767 177.259 175.510 -0.029 0.000 1.016 3424 N CA 0.450 53.487 53.050 -0.022 0.000 0.870 3424 N CB -0.086 38.386 38.487 -0.024 0.000 0.979 3424 N HN 0.356 nan 8.380 nan 0.000 0.431 3425 Q N 1.064 120.844 119.800 -0.033 0.000 2.002 3425 Q HA -0.165 4.174 4.340 -0.001 0.000 0.204 3425 Q C 2.086 178.071 176.000 -0.025 0.000 0.988 3425 Q CA 1.599 57.381 55.803 -0.036 0.000 0.843 3425 Q CB -0.096 28.622 28.738 -0.033 0.000 0.908 3425 Q HN 0.416 nan 8.270 nan 0.000 0.420 3426 Q N 0.509 120.298 119.800 -0.017 0.000 2.029 3426 Q HA -0.176 4.163 4.340 -0.001 0.000 0.209 3426 Q C 0.459 176.451 176.000 -0.013 0.000 0.999 3426 Q CA 1.105 56.901 55.803 -0.012 0.000 0.857 3426 Q CB -0.155 28.578 28.738 -0.008 0.000 0.926 3426 Q HN 0.173 nan 8.270 nan 0.000 0.415 3427 K N 0.000 120.391 120.400 -0.014 0.000 2.780 3427 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 3427 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 3427 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 3427 K HN 0.000 nan 8.250 nan 0.000 0.543