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 3oe9_1_B DATA FIRST_RESID 35 DATA SEQUENCE NFNKIFLPTI YSIIFLTGIV GNGLVILVMG YXXXXRSMTD KYRLHLSVAD DATA SEQUENCE LLFVITLPFW AVDAVANWYF GNFLcKAVHV IYTVNLYSSV WILAFISLDR DATA SEQUENCE YLAIVHATNS QRPRKLLAEK VVYVGVWIPA LLLTIPDFIF ANVSEADDRY DATA SEQUENCE IcDRFYPNDL WVVVFQFQHI MVGLILPGIV ILSCYCIIIS KLSHXXXXXX DATA SEQUENCE XKALKPTVIL ILAFFACWLP YYIGISIDSF ILLEIIKQGC EFENTVHKWI DATA SEQUENCE SITEALAFFH CCLNPILYAX 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 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 XXXXXXXNIF EMLRIDEGLR LKIYKDXXXY YTIGIGHLLT DATA SEQUENCE KSPSLNAAKS ELDKAIGRNT NGVITKDEAE KLFNQDVDAA VRGILRNAKL DATA SEQUENCE KPVYDSLDAV RRAALINMVF QMGETGVAGF TNSLRMLQQK RWDEAAVNLA DATA SEQUENCE KSRWYNQTPN RAKRVITTFR TGTWDAY 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.604 175.510 0.156 0.000 1.280 35 N CA 0.000 53.123 53.050 0.122 0.000 0.885 35 N CB 0.000 38.551 38.487 0.106 0.000 1.341 36 F N 2.358 122.333 119.950 0.042 0.000 2.250 36 F HA 0.115 4.574 4.527 -0.113 0.000 0.301 36 F C 1.204 177.056 175.800 0.087 0.000 1.077 36 F CA 1.502 59.530 58.000 0.047 0.000 1.348 36 F CB -0.346 38.659 39.000 0.008 0.000 1.040 36 F HN 0.093 nan 8.300 nan 0.000 0.509 37 N N 0.755 119.406 118.700 -0.081 0.000 2.573 37 N HA -0.140 4.532 4.740 -0.113 0.000 0.187 37 N C 1.674 177.134 175.510 -0.084 0.000 1.107 37 N CA 0.663 53.635 53.050 -0.131 0.000 0.918 37 N CB -0.437 38.054 38.487 0.007 0.000 0.966 37 N HN 0.435 nan 8.380 nan 0.000 0.448 38 K N 0.115 120.494 120.400 -0.035 0.000 2.366 38 K HA 0.093 4.345 4.320 -0.113 0.000 0.198 38 K C 0.944 177.524 176.600 -0.032 0.000 1.044 38 K CA 0.549 56.838 56.287 0.004 0.000 0.973 38 K CB 0.240 32.765 32.500 0.041 0.000 0.767 38 K HN 0.090 nan 8.250 nan 0.000 0.475 39 I N -1.282 119.227 120.570 -0.101 0.000 3.300 39 I HA -0.025 4.077 4.170 -0.113 0.000 0.279 39 I C 1.619 177.611 176.117 -0.209 0.000 1.172 39 I CA 0.260 61.498 61.300 -0.103 0.000 1.431 39 I CB -0.059 37.935 38.000 -0.010 0.000 1.240 39 I HN -0.050 nan 8.210 nan 0.000 0.453 40 F N 0.841 120.438 119.950 -0.588 0.000 2.293 40 F HA 0.025 4.484 4.527 -0.114 0.000 0.297 40 F C 2.093 177.641 175.800 -0.421 0.000 1.089 40 F CA 1.235 58.879 58.000 -0.594 0.000 1.377 40 F CB 0.160 38.548 39.000 -1.020 0.000 1.051 40 F HN -0.115 nan 8.300 nan 0.000 0.511 41 L N 0.812 121.826 121.223 -0.348 0.000 2.044 41 L HA -0.105 4.167 4.340 -0.113 0.000 0.205 41 L C -0.503 175.972 176.870 -0.658 0.000 1.075 41 L CA 0.947 55.455 54.840 -0.553 0.000 0.747 41 L CB -1.885 39.977 42.059 -0.329 0.000 0.903 41 L HN 0.017 nan 8.230 nan 0.000 0.435 42 P HA -0.123 nan 4.420 nan 0.000 0.220 42 P C 1.423 178.621 177.300 -0.170 0.000 1.148 42 P CA 1.358 64.424 63.100 -0.057 0.000 0.803 42 P CB -0.095 31.606 31.700 0.002 0.000 0.782 43 T N 0.643 115.003 114.554 -0.325 0.000 2.708 43 T HA -0.078 4.204 4.350 -0.113 0.000 0.266 43 T C 1.849 176.327 174.700 -0.370 0.000 1.037 43 T CA 1.061 62.940 62.100 -0.368 0.000 1.146 43 T CB -0.455 68.069 68.868 -0.573 0.000 0.865 43 T HN -0.029 nan 8.240 nan 0.000 0.435 44 I N 0.201 120.460 120.570 -0.518 0.000 2.353 44 I HA -0.061 4.041 4.170 -0.113 0.000 0.248 44 I C 2.138 178.115 176.117 -0.234 0.000 1.119 44 I CA 1.252 62.330 61.300 -0.370 0.000 1.417 44 I CB -1.244 36.514 38.000 -0.404 0.000 1.078 44 I HN 0.257 nan 8.210 nan 0.000 0.421 45 Y N 1.462 121.667 120.300 -0.159 0.000 2.163 45 Y HA -0.124 4.357 4.550 -0.114 0.000 0.288 45 Y C 2.972 178.796 175.900 -0.126 0.000 1.136 45 Y CA 0.850 58.867 58.100 -0.139 0.000 1.147 45 Y CB -1.367 37.033 38.460 -0.099 0.000 0.987 45 Y HN 0.090 nan 8.280 nan 0.000 0.509 46 S N 0.468 116.188 115.700 0.034 0.000 2.359 46 S HA -0.214 4.188 4.470 -0.113 0.000 0.222 46 S C 2.170 176.786 174.600 0.026 0.000 1.038 46 S CA 1.781 59.992 58.200 0.017 0.000 1.051 46 S CB -0.801 62.383 63.200 -0.027 0.000 0.944 46 S HN 0.339 nan 8.310 nan 0.000 0.433 47 I N 1.338 121.876 120.570 -0.053 0.000 2.091 47 I HA -0.198 3.904 4.170 -0.113 0.000 0.239 47 I C 2.290 178.308 176.117 -0.164 0.000 1.061 47 I CA 1.176 62.426 61.300 -0.083 0.000 1.317 47 I CB -0.332 37.630 38.000 -0.063 0.000 1.031 47 I HN 0.263 nan 8.210 nan 0.000 0.401 48 I N 0.203 120.591 120.570 -0.302 0.000 2.454 48 I HA -0.315 3.787 4.170 -0.113 0.000 0.254 48 I C 2.382 178.385 176.117 -0.189 0.000 1.156 48 I CA 1.754 62.814 61.300 -0.400 0.000 1.433 48 I CB -0.488 37.174 38.000 -0.564 0.000 1.082 48 I HN 0.213 nan 8.210 nan 0.000 0.432 49 F N 1.268 121.087 119.950 -0.219 0.000 2.074 49 F HA -0.206 4.253 4.527 -0.113 0.000 0.293 49 F C 2.281 177.996 175.800 -0.143 0.000 1.116 49 F CA 1.671 59.558 58.000 -0.188 0.000 1.212 49 F CB -0.299 38.604 39.000 -0.162 0.000 0.998 49 F HN -0.088 nan 8.300 nan 0.000 0.471 50 L N -0.079 121.090 121.223 -0.089 0.000 1.994 50 L HA -0.237 4.035 4.340 -0.113 0.000 0.208 50 L C 2.373 179.134 176.870 -0.181 0.000 1.071 50 L CA 1.955 56.702 54.840 -0.155 0.000 0.745 50 L CB -1.417 40.637 42.059 -0.009 0.000 0.892 50 L HN 0.177 nan 8.230 nan 0.000 0.431 51 T N -0.396 114.075 114.554 -0.137 0.000 2.746 51 T HA -0.132 4.150 4.350 -0.113 0.000 0.267 51 T C 1.848 176.467 174.700 -0.136 0.000 1.039 51 T CA 1.351 63.384 62.100 -0.112 0.000 1.142 51 T CB -0.667 68.143 68.868 -0.097 0.000 0.866 51 T HN 0.567 nan 8.240 nan 0.000 0.444 52 G N 0.600 109.284 108.800 -0.193 0.000 2.403 52 G HA2 -0.037 3.855 3.960 -0.113 0.000 0.216 52 G HA3 -0.037 3.855 3.960 -0.113 0.000 0.216 52 G C 1.539 176.311 174.900 -0.214 0.000 1.154 52 G CA 0.165 45.154 45.100 -0.185 0.000 0.784 52 G HN 0.475 nan 8.290 nan 0.000 0.538 53 I N 0.142 120.501 120.570 -0.353 0.000 2.333 53 I HA -0.052 4.050 4.170 -0.113 0.000 0.246 53 I C 2.655 178.638 176.117 -0.224 0.000 1.106 53 I CA 0.519 61.600 61.300 -0.365 0.000 1.411 53 I CB 0.236 37.834 38.000 -0.670 0.000 1.082 53 I HN 0.040 nan 8.210 nan 0.000 0.420 54 V N 0.556 120.352 119.914 -0.195 0.000 2.379 54 V HA -0.128 3.925 4.120 -0.113 0.000 0.245 54 V C 2.408 178.455 176.094 -0.079 0.000 1.044 54 V CA 1.805 64.034 62.300 -0.118 0.000 1.036 54 V CB -1.436 30.330 31.823 -0.096 0.000 0.664 54 V HN 0.571 nan 8.190 nan 0.000 0.453 55 G N 0.562 109.318 108.800 -0.072 0.000 2.524 55 G HA2 -0.243 3.649 3.960 -0.113 0.000 0.215 55 G HA3 -0.243 3.649 3.960 -0.113 0.000 0.215 55 G C 1.386 176.279 174.900 -0.012 0.000 1.239 55 G CA 0.881 45.966 45.100 -0.025 0.000 0.798 55 G HN 0.499 nan 8.290 nan 0.000 0.557 56 N N 1.345 120.033 118.700 -0.019 0.000 2.223 56 N HA -0.114 4.558 4.740 -0.113 0.000 0.185 56 N C 2.360 177.860 175.510 -0.017 0.000 1.016 56 N CA 1.202 54.255 53.050 0.006 0.000 0.863 56 N CB -0.475 38.021 38.487 0.015 0.000 0.983 56 N HN 0.344 nan 8.380 nan 0.000 0.429 57 G N 2.044 110.814 108.800 -0.050 0.000 2.476 57 G HA2 -0.208 3.684 3.960 -0.113 0.000 0.218 57 G HA3 -0.208 3.684 3.960 -0.113 0.000 0.218 57 G C 1.747 176.614 174.900 -0.055 0.000 1.164 57 G CA 0.454 45.519 45.100 -0.058 0.000 0.768 57 G HN 0.188 nan 8.290 nan 0.000 0.560 58 L N 0.113 121.305 121.223 -0.052 0.000 1.989 58 L HA -0.131 4.141 4.340 -0.113 0.000 0.211 58 L C 3.082 179.907 176.870 -0.076 0.000 1.071 58 L CA 0.833 55.637 54.840 -0.059 0.000 0.749 58 L CB -0.591 41.436 42.059 -0.054 0.000 0.890 58 L HN 0.116 nan 8.230 nan 0.000 0.431 59 V N 0.183 120.059 119.914 -0.062 0.000 2.324 59 V HA -0.330 3.722 4.120 -0.113 0.000 0.250 59 V C 2.275 178.332 176.094 -0.062 0.000 1.060 59 V CA 2.096 64.359 62.300 -0.063 0.000 1.042 59 V CB -0.503 31.334 31.823 0.022 0.000 0.650 59 V HN 0.328 nan 8.190 nan 0.000 0.450 60 I N 0.428 120.965 120.570 -0.055 0.000 2.142 60 I HA -0.239 3.863 4.170 -0.113 0.000 0.240 60 I C 2.329 178.353 176.117 -0.155 0.000 1.078 60 I CA 1.900 63.153 61.300 -0.077 0.000 1.343 60 I CB -0.588 37.380 38.000 -0.053 0.000 1.046 60 I HN 0.380 nan 8.210 nan 0.000 0.405 61 L N -1.126 119.999 121.223 -0.164 0.000 2.353 61 L HA -0.043 4.229 4.340 -0.113 0.000 0.220 61 L C 2.111 178.801 176.870 -0.300 0.000 1.133 61 L CA 1.254 55.942 54.840 -0.254 0.000 0.798 61 L CB -1.027 40.943 42.059 -0.148 0.000 0.922 61 L HN -0.047 nan 8.230 nan 0.000 0.445 62 V N 0.855 120.667 119.914 -0.171 0.000 2.255 62 V HA -0.114 3.939 4.120 -0.113 0.000 0.243 62 V C 2.148 178.184 176.094 -0.097 0.000 1.038 62 V CA 2.101 64.345 62.300 -0.094 0.000 1.008 62 V CB -0.391 31.375 31.823 -0.095 0.000 0.645 62 V HN 0.688 nan 8.190 nan 0.000 0.449 63 M N 0.378 119.907 119.600 -0.118 0.000 2.738 63 M HA 0.371 4.783 4.480 -0.113 0.000 0.295 63 M C 1.309 177.525 176.300 -0.140 0.000 1.266 63 M CA 0.566 55.817 55.300 -0.082 0.000 0.985 63 M CB -0.741 31.840 32.600 -0.033 0.000 1.365 63 M HN 0.159 nan 8.290 nan 0.000 0.492 64 G N 0.812 109.423 108.800 -0.316 0.000 2.572 64 G HA2 0.107 3.999 3.960 -0.113 0.000 0.216 64 G HA3 0.107 3.999 3.960 -0.113 0.000 0.216 64 G C 0.067 174.817 174.900 -0.250 0.000 1.133 64 G CA 0.516 45.409 45.100 -0.344 0.000 0.791 64 G HN 0.606 nan 8.290 nan 0.000 0.538 71 S N 0.852 116.587 115.700 0.058 0.000 2.787 71 S HA 0.078 4.480 4.470 -0.113 0.000 0.255 71 S C 0.978 175.629 174.600 0.086 0.000 1.051 71 S CA 0.149 58.393 58.200 0.074 0.000 1.124 71 S CB 0.536 63.788 63.200 0.087 0.000 1.104 71 S HN 0.679 nan 8.310 nan 0.000 0.623 72 M N 0.426 120.066 119.600 0.067 0.000 2.937 72 M HA -0.254 4.158 4.480 -0.113 0.000 0.191 72 M C 0.671 177.096 176.300 0.208 0.000 0.626 72 M CA 1.840 57.182 55.300 0.070 0.000 0.728 72 M CB -1.710 30.950 32.600 0.100 0.000 2.616 72 M HN 0.228 nan 8.290 nan 0.000 0.285 73 T N -0.703 113.982 114.554 0.218 0.000 2.985 73 T HA 0.139 4.421 4.350 -0.113 0.000 0.254 73 T C 0.622 175.467 174.700 0.242 0.000 1.021 73 T CA 0.688 62.955 62.100 0.279 0.000 0.957 73 T CB 0.190 69.167 68.868 0.182 0.000 1.047 73 T HN 0.447 nan 8.240 nan 0.000 0.511 74 D N 0.902 121.411 120.400 0.182 0.000 2.338 74 D HA 0.116 4.688 4.640 -0.113 0.000 0.224 74 D C 2.086 178.456 176.300 0.116 0.000 0.967 74 D CA 0.468 54.568 54.000 0.167 0.000 0.896 74 D CB 0.037 40.922 40.800 0.142 0.000 1.028 74 D HN 0.100 nan 8.370 nan 0.000 0.493 75 K N 0.341 120.760 120.400 0.033 0.000 2.113 75 K HA -0.159 4.093 4.320 -0.113 0.000 0.208 75 K C 1.899 178.434 176.600 -0.108 0.000 1.047 75 K CA 0.979 57.208 56.287 -0.096 0.000 0.928 75 K CB -0.181 32.211 32.500 -0.180 0.000 0.716 75 K HN 0.247 nan 8.250 nan 0.000 0.446 76 Y N 0.422 120.783 120.300 0.101 0.000 2.314 76 Y HA -0.052 4.434 4.550 -0.106 0.000 0.293 76 Y C 2.318 178.321 175.900 0.171 0.000 1.129 76 Y CA 0.969 59.183 58.100 0.191 0.000 1.201 76 Y CB -0.090 38.482 38.460 0.186 0.000 0.999 76 Y HN 0.011 nan 8.280 nan 0.000 0.541 77 R N -0.434 120.238 120.500 0.287 0.000 2.189 77 R HA -0.125 4.147 4.340 -0.113 0.000 0.223 77 R C 1.995 178.415 176.300 0.201 0.000 1.092 77 R CA 1.091 57.330 56.100 0.231 0.000 0.989 77 R CB -0.411 30.027 30.300 0.230 0.000 0.876 77 R HN 0.311 nan 8.270 nan 0.000 0.457 78 L N -0.168 121.137 121.223 0.136 0.000 2.131 78 L HA -0.076 4.196 4.340 -0.113 0.000 0.206 78 L C 1.998 178.954 176.870 0.144 0.000 1.087 78 L CA 1.715 56.600 54.840 0.075 0.000 0.767 78 L CB -0.325 41.712 42.059 -0.037 0.000 0.917 78 L HN 0.118 nan 8.230 nan 0.000 0.441 79 H N -0.365 118.837 119.070 0.220 0.000 2.387 79 H HA -0.108 4.380 4.556 -0.113 0.000 0.299 79 H C 2.336 177.877 175.328 0.354 0.000 1.090 79 H CA 1.968 58.223 56.048 0.344 0.000 1.332 79 H CB -0.177 29.811 29.762 0.376 0.000 1.386 79 H HN 0.343 nan 8.280 nan 0.000 0.516 80 L N -0.199 121.241 121.223 0.362 0.000 2.046 80 L HA -0.159 4.113 4.340 -0.113 0.000 0.208 80 L C 2.522 179.544 176.870 0.254 0.000 1.077 80 L CA 0.985 55.983 54.840 0.263 0.000 0.747 80 L CB -0.156 42.026 42.059 0.205 0.000 0.896 80 L HN 0.126 nan 8.230 nan 0.000 0.432 81 S N -0.976 114.857 115.700 0.221 0.000 2.383 81 S HA -0.139 4.263 4.470 -0.113 0.000 0.227 81 S C 1.909 176.611 174.600 0.171 0.000 1.026 81 S CA 1.129 59.429 58.200 0.166 0.000 0.981 81 S CB -0.079 63.192 63.200 0.119 0.000 0.818 81 S HN 0.203 nan 8.310 nan 0.000 0.472 82 V N 1.853 121.900 119.914 0.221 0.000 2.427 82 V HA -0.148 3.904 4.120 -0.113 0.000 0.248 82 V C 2.587 178.865 176.094 0.306 0.000 1.051 82 V CA 1.616 64.045 62.300 0.214 0.000 1.048 82 V CB -1.173 30.764 31.823 0.189 0.000 0.666 82 V HN 0.524 nan 8.190 nan 0.000 0.456 83 A N -0.071 123.016 122.820 0.444 0.000 1.873 83 A HA -0.200 4.053 4.320 -0.113 0.000 0.215 83 A C 2.035 179.799 177.584 0.300 0.000 1.186 83 A CA 1.852 54.155 52.037 0.443 0.000 0.616 83 A CB -0.501 18.694 19.000 0.324 0.000 0.823 83 A HN 0.533 nan 8.150 nan 0.000 0.442 84 D N -0.441 120.108 120.400 0.248 0.000 2.137 84 D HA -0.076 4.496 4.640 -0.113 0.000 0.202 84 D C 1.947 178.337 176.300 0.151 0.000 0.970 84 D CA 1.092 55.214 54.000 0.204 0.000 0.837 84 D CB -0.331 40.560 40.800 0.153 0.000 0.981 84 D HN 0.373 nan 8.370 nan 0.000 0.475 85 L N 0.769 122.057 121.223 0.108 0.000 2.046 85 L HA -0.118 4.154 4.340 -0.113 0.000 0.208 85 L C 2.350 179.252 176.870 0.052 0.000 1.077 85 L CA 1.059 55.922 54.840 0.038 0.000 0.747 85 L CB -0.240 41.834 42.059 0.025 0.000 0.896 85 L HN -0.025 nan 8.230 nan 0.000 0.432 86 L N -1.527 119.767 121.223 0.118 0.000 2.042 86 L HA -0.263 4.009 4.340 -0.113 0.000 0.210 86 L C 2.352 179.302 176.870 0.134 0.000 1.076 86 L CA 1.652 56.568 54.840 0.126 0.000 0.749 86 L CB -0.334 41.828 42.059 0.172 0.000 0.893 86 L HN 0.374 nan 8.230 nan 0.000 0.432 87 F N -0.258 119.709 119.950 0.029 0.000 2.146 87 F HA -0.197 4.264 4.527 -0.111 0.000 0.298 87 F C 2.316 178.051 175.800 -0.107 0.000 1.096 87 F CA 1.658 59.637 58.000 -0.036 0.000 1.275 87 F CB -0.096 38.868 39.000 -0.061 0.000 1.008 87 F HN -0.014 nan 8.300 nan 0.000 0.480 88 V N -0.647 119.129 119.914 -0.229 0.000 2.407 88 V HA -0.257 3.795 4.120 -0.113 0.000 0.248 88 V C 2.169 178.224 176.094 -0.065 0.000 1.055 88 V CA 1.958 64.092 62.300 -0.276 0.000 1.049 88 V CB -1.200 30.494 31.823 -0.215 0.000 0.662 88 V HN 0.451 nan 8.190 nan 0.000 0.455 89 I N 2.180 122.747 120.570 -0.006 0.000 2.315 89 I HA -0.238 3.864 4.170 -0.113 0.000 0.251 89 I C 2.718 178.924 176.117 0.149 0.000 1.125 89 I CA 2.276 63.657 61.300 0.136 0.000 1.392 89 I CB -0.312 37.738 38.000 0.083 0.000 1.065 89 I HN 0.670 nan 8.210 nan 0.000 0.424 90 T N -2.159 112.396 114.554 0.002 0.000 3.067 90 T HA 0.058 4.340 4.350 -0.113 0.000 0.257 90 T C 1.728 176.498 174.700 0.117 0.000 1.105 90 T CA 0.158 62.312 62.100 0.089 0.000 1.104 90 T CB -0.367 68.495 68.868 -0.010 0.000 0.925 90 T HN 0.248 nan 8.240 nan 0.000 0.498 91 L N 1.140 122.219 121.223 -0.240 0.000 2.187 91 L HA 0.013 4.285 4.340 -0.113 0.000 0.213 91 L C -0.535 176.164 176.870 -0.286 0.000 1.100 91 L CA 1.100 55.701 54.840 -0.397 0.000 0.765 91 L CB -1.328 40.417 42.059 -0.524 0.000 0.904 91 L HN 0.273 nan 8.230 nan 0.000 0.437 92 P HA -0.156 nan 4.420 nan 0.000 0.217 92 P C 1.450 178.545 177.300 -0.342 0.000 1.150 92 P CA 1.358 64.166 63.100 -0.486 0.000 0.832 92 P CB -0.024 31.258 31.700 -0.696 0.000 0.787 93 F N -2.242 117.533 119.950 -0.291 0.000 2.161 93 F HA -0.147 4.313 4.527 -0.113 0.000 0.300 93 F C 2.105 177.889 175.800 -0.026 0.000 1.089 93 F CA 1.015 58.826 58.000 -0.315 0.000 1.282 93 F CB -1.382 37.384 39.000 -0.389 0.000 1.010 93 F HN -0.080 nan 8.300 nan 0.000 0.485 94 W N 0.244 121.471 121.300 -0.122 0.000 2.355 94 W HA -0.118 4.474 4.660 -0.114 0.000 0.309 94 W C 2.639 179.054 176.519 -0.173 0.000 1.206 94 W CA 1.675 58.840 57.345 -0.299 0.000 1.284 94 W CB -1.163 27.755 29.460 -0.903 0.000 1.145 94 W HN -0.063 nan 8.180 nan 0.000 0.502 95 A N -0.081 122.773 122.820 0.057 0.000 1.855 95 A HA -0.157 4.095 4.320 -0.113 0.000 0.215 95 A C 2.058 179.747 177.584 0.176 0.000 1.191 95 A CA 2.316 54.479 52.037 0.211 0.000 0.613 95 A CB -1.220 17.843 19.000 0.105 0.000 0.829 95 A HN 0.061 nan 8.150 nan 0.000 0.442 96 V N 1.673 121.671 119.914 0.139 0.000 2.287 96 V HA -0.278 3.774 4.120 -0.113 0.000 0.248 96 V C 2.387 178.648 176.094 0.277 0.000 1.053 96 V CA 2.340 64.771 62.300 0.218 0.000 1.027 96 V CB -0.859 31.159 31.823 0.325 0.000 0.646 96 V HN 0.848 nan 8.190 nan 0.000 0.447 97 D N 0.198 120.802 120.400 0.340 0.000 2.371 97 D HA -0.047 4.525 4.640 -0.113 0.000 0.221 97 D C 1.711 178.144 176.300 0.222 0.000 0.986 97 D CA 1.173 55.368 54.000 0.326 0.000 0.899 97 D CB 0.355 41.434 40.800 0.465 0.000 0.902 97 D HN 0.461 nan 8.370 nan 0.000 0.530 98 A N 0.329 123.288 122.820 0.231 0.000 2.140 98 A HA 0.169 4.421 4.320 -0.113 0.000 0.209 98 A C 2.265 179.944 177.584 0.157 0.000 1.181 98 A CA 0.684 52.854 52.037 0.221 0.000 0.824 98 A CB 0.041 19.241 19.000 0.333 0.000 0.879 98 A HN 0.226 nan 8.150 nan 0.000 0.480 99 V N -3.608 116.396 119.914 0.149 0.000 2.490 99 V HA 0.491 4.543 4.120 -0.113 0.000 0.238 99 V C 1.977 178.132 176.094 0.103 0.000 1.056 99 V CA 1.348 63.713 62.300 0.109 0.000 1.075 99 V CB -0.428 31.455 31.823 0.099 0.000 0.746 99 V HN 0.386 nan 8.190 nan 0.000 0.479 100 A N -0.413 122.481 122.820 0.124 0.000 1.933 100 A HA 0.500 4.752 4.320 -0.113 0.000 0.198 100 A C 0.722 178.309 177.584 0.005 0.000 1.617 100 A CA 0.804 52.900 52.037 0.099 0.000 1.039 100 A CB 0.193 19.302 19.000 0.181 0.000 1.066 100 A HN 0.637 nan 8.150 nan 0.000 0.484 101 N N -2.132 116.504 118.700 -0.105 0.000 3.355 101 N HA 0.108 4.781 4.740 -0.113 0.000 0.238 101 N C -2.148 173.095 175.510 -0.446 0.000 1.466 101 N CA -0.458 52.316 53.050 -0.461 0.000 0.882 101 N CB 0.337 38.251 38.487 -0.955 0.000 1.406 101 N HN 0.338 nan 8.380 nan 0.000 0.500 102 W N 2.778 123.760 121.300 -0.529 0.000 2.429 102 W HA 0.417 5.009 4.660 -0.113 0.000 0.314 102 W C -0.929 175.257 176.519 -0.555 0.000 1.062 102 W CA -0.364 56.842 57.345 -0.230 0.000 1.211 102 W CB 0.729 30.210 29.460 0.035 0.000 1.305 102 W HN 0.730 nan 8.180 nan 0.000 0.476 103 Y N 3.149 122.813 120.300 -1.059 0.000 2.425 103 Y HA 0.110 4.592 4.550 -0.113 0.000 0.261 103 Y C 1.368 176.716 175.900 -0.921 0.000 1.084 103 Y CA -0.167 57.382 58.100 -0.920 0.000 1.248 103 Y CB -0.065 37.804 38.460 -0.986 0.000 1.270 103 Y HN 0.262 nan 8.280 nan 0.000 0.524 104 F N 0.803 120.338 119.950 -0.693 0.000 2.816 104 F HA 0.351 4.811 4.527 -0.113 0.000 0.302 104 F C 1.582 177.364 175.800 -0.030 0.000 1.178 104 F CA 0.361 58.079 58.000 -0.469 0.000 1.421 104 F CB -0.816 37.807 39.000 -0.629 0.000 1.114 104 F HN 0.040 nan 8.300 nan 0.000 0.573 105 G N 1.070 110.014 108.800 0.239 0.000 2.855 105 G HA2 -0.377 3.515 3.960 -0.113 0.000 0.352 105 G HA3 -0.377 3.515 3.960 -0.113 0.000 0.352 105 G C 0.306 175.560 174.900 0.591 0.000 1.415 105 G CA 0.144 45.493 45.100 0.417 0.000 0.871 105 G HN 0.325 nan 8.290 nan 0.000 0.543 106 N N -1.132 117.792 118.700 0.373 0.000 2.142 106 N HA 0.013 4.685 4.740 -0.113 0.000 0.186 106 N C 2.148 177.816 175.510 0.264 0.000 1.023 106 N CA 2.270 55.482 53.050 0.270 0.000 0.852 106 N CB -0.182 38.407 38.487 0.170 0.000 0.998 106 N HN 0.565 nan 8.380 nan 0.000 0.424 107 F N 0.338 120.387 119.950 0.165 0.000 2.102 107 F HA -0.099 4.361 4.527 -0.113 0.000 0.298 107 F C 1.745 177.617 175.800 0.121 0.000 1.105 107 F CA 0.942 59.021 58.000 0.131 0.000 1.239 107 F CB -0.203 38.870 39.000 0.123 0.000 0.991 107 F HN 0.032 nan 8.300 nan 0.000 0.474 108 L N -0.006 121.329 121.223 0.187 0.000 2.362 108 L HA -0.172 4.100 4.340 -0.113 0.000 0.219 108 L C 2.582 179.545 176.870 0.155 0.000 1.134 108 L CA 1.176 56.053 54.840 0.062 0.000 0.807 108 L CB -1.207 40.963 42.059 0.185 0.000 0.927 108 L HN 0.545 nan 8.230 nan 0.000 0.447 109 c N -0.614 118.160 118.600 0.290 0.000 2.466 109 c HA -0.146 4.356 4.570 -0.113 0.000 0.278 109 c C 2.779 176.807 174.090 -0.105 0.000 1.288 109 c CA 0.668 56.992 56.329 -0.009 0.000 1.722 109 c CB -0.546 41.836 42.510 -0.214 0.000 2.017 109 c HN 0.504 nan 8.230 nan 0.000 0.488 110 K N 0.967 121.249 120.400 -0.196 0.000 2.025 110 K HA -0.025 4.228 4.320 -0.113 0.000 0.207 110 K C 2.365 178.672 176.600 -0.488 0.000 1.049 110 K CA 1.558 57.637 56.287 -0.347 0.000 0.933 110 K CB -0.392 31.883 32.500 -0.374 0.000 0.714 110 K HN 0.536 nan 8.250 nan 0.000 0.438 111 A N 1.457 123.937 122.820 -0.565 0.000 1.908 111 A HA -0.160 4.092 4.320 -0.113 0.000 0.218 111 A C 2.439 179.841 177.584 -0.304 0.000 1.181 111 A CA 2.014 53.740 52.037 -0.518 0.000 0.627 111 A CB -1.009 17.666 19.000 -0.541 0.000 0.818 111 A HN 0.221 nan 8.150 nan 0.000 0.445 112 V N -2.762 116.991 119.914 -0.269 0.000 2.515 112 V HA -0.252 3.800 4.120 -0.113 0.000 0.250 112 V C 2.133 178.148 176.094 -0.131 0.000 1.058 112 V CA 2.539 64.710 62.300 -0.216 0.000 1.064 112 V CB -1.499 30.136 31.823 -0.314 0.000 0.675 112 V HN 0.624 nan 8.190 nan 0.000 0.461 113 H N 1.089 120.054 119.070 -0.174 0.000 2.389 113 H HA -0.027 4.461 4.556 -0.114 0.000 0.299 113 H C 2.442 177.751 175.328 -0.032 0.000 1.081 113 H CA 2.387 58.385 56.048 -0.084 0.000 1.345 113 H CB -0.167 29.485 29.762 -0.184 0.000 1.393 113 H HN 0.514 nan 8.280 nan 0.000 0.520 114 V N -1.010 118.867 119.914 -0.062 0.000 2.379 114 V HA -0.152 3.900 4.120 -0.113 0.000 0.245 114 V C 2.091 178.219 176.094 0.056 0.000 1.044 114 V CA 1.613 63.873 62.300 -0.068 0.000 1.036 114 V CB -0.699 30.959 31.823 -0.274 0.000 0.664 114 V HN 0.335 nan 8.190 nan 0.000 0.453 115 I N -0.646 119.969 120.570 0.076 0.000 2.226 115 I HA -0.197 3.905 4.170 -0.113 0.000 0.245 115 I C 2.605 178.895 176.117 0.288 0.000 1.100 115 I CA 2.433 63.840 61.300 0.179 0.000 1.374 115 I CB -0.553 37.540 38.000 0.155 0.000 1.057 115 I HN 0.441 nan 8.210 nan 0.000 0.413 116 Y N 1.796 122.209 120.300 0.187 0.000 2.145 116 Y HA -0.279 4.205 4.550 -0.110 0.000 0.286 116 Y C 2.692 178.580 175.900 -0.021 0.000 1.145 116 Y CA 2.020 60.202 58.100 0.137 0.000 1.148 116 Y CB -0.932 37.694 38.460 0.276 0.000 0.981 116 Y HN 0.103 nan 8.280 nan 0.000 0.507 117 T N -0.121 114.397 114.554 -0.060 0.000 2.674 117 T HA -0.186 4.096 4.350 -0.113 0.000 0.265 117 T C 2.183 176.816 174.700 -0.112 0.000 1.039 117 T CA 1.857 63.849 62.100 -0.181 0.000 1.150 117 T CB -0.933 67.953 68.868 0.029 0.000 0.864 117 T HN 0.193 nan 8.240 nan 0.000 0.427 118 V N 3.043 122.990 119.914 0.056 0.000 2.252 118 V HA -0.259 3.793 4.120 -0.113 0.000 0.249 118 V C 2.629 178.737 176.094 0.022 0.000 1.056 118 V CA 2.014 64.384 62.300 0.116 0.000 1.022 118 V CB -0.749 31.206 31.823 0.221 0.000 0.641 118 V HN 0.628 nan 8.190 nan 0.000 0.445 119 N N 0.191 118.902 118.700 0.019 0.000 2.104 119 N HA -0.191 4.481 4.740 -0.113 0.000 0.190 119 N C 1.939 177.377 175.510 -0.120 0.000 1.024 119 N CA 1.880 54.925 53.050 -0.009 0.000 0.853 119 N CB -0.169 38.315 38.487 -0.006 0.000 1.008 119 N HN 0.473 nan 8.380 nan 0.000 0.424 120 L N -0.280 120.745 121.223 -0.329 0.000 2.012 120 L HA -0.191 4.081 4.340 -0.113 0.000 0.210 120 L C 2.128 178.777 176.870 -0.370 0.000 1.073 120 L CA 1.362 55.911 54.840 -0.485 0.000 0.748 120 L CB -0.506 41.041 42.059 -0.853 0.000 0.891 120 L HN 0.216 nan 8.230 nan 0.000 0.431 121 Y N -0.981 119.268 120.300 -0.084 0.000 2.347 121 Y HA -0.098 4.384 4.550 -0.113 0.000 0.294 121 Y C 2.981 178.853 175.900 -0.046 0.000 1.117 121 Y CA 0.701 58.787 58.100 -0.024 0.000 1.184 121 Y CB -0.912 37.531 38.460 -0.028 0.000 1.047 121 Y HN 0.223 nan 8.280 nan 0.000 0.546 122 S N -0.192 115.463 115.700 -0.074 0.000 2.345 122 S HA -0.215 4.187 4.470 -0.113 0.000 0.220 122 S C 2.300 176.756 174.600 -0.239 0.000 1.031 122 S CA 1.260 59.250 58.200 -0.351 0.000 0.996 122 S CB -1.224 61.497 63.200 -0.798 0.000 0.882 122 S HN 0.497 nan 8.310 nan 0.000 0.445 123 S N 1.678 117.301 115.700 -0.128 0.000 2.368 123 S HA -0.133 4.269 4.470 -0.113 0.000 0.226 123 S C 1.924 176.349 174.600 -0.291 0.000 1.044 123 S CA 1.365 59.508 58.200 -0.096 0.000 1.062 123 S CB -1.342 61.928 63.200 0.116 0.000 0.931 123 S HN 0.452 nan 8.310 nan 0.000 0.440 124 V N -0.177 119.584 119.914 -0.255 0.000 2.427 124 V HA -0.023 4.029 4.120 -0.113 0.000 0.248 124 V C 1.994 177.863 176.094 -0.375 0.000 1.051 124 V CA 1.634 63.710 62.300 -0.372 0.000 1.048 124 V CB -0.731 30.987 31.823 -0.174 0.000 0.666 124 V HN 0.720 nan 8.190 nan 0.000 0.456 125 W N -0.561 120.627 121.300 -0.187 0.000 2.584 125 W HA 0.124 4.695 4.660 -0.148 0.000 0.264 125 W C 2.113 178.500 176.519 -0.219 0.000 1.264 125 W CA 0.655 57.900 57.345 -0.167 0.000 1.306 125 W CB -0.126 29.221 29.460 -0.190 0.000 1.110 125 W HN 0.199 nan 8.180 nan 0.000 0.606 126 I N -0.232 120.254 120.570 -0.140 0.000 2.286 126 I HA -0.284 3.818 4.170 -0.113 0.000 0.245 126 I C 2.113 178.143 176.117 -0.144 0.000 1.104 126 I CA 1.160 62.372 61.300 -0.146 0.000 1.397 126 I CB -0.466 37.482 38.000 -0.087 0.000 1.072 126 I HN -0.112 nan 8.210 nan 0.000 0.417 127 L N 0.248 121.343 121.223 -0.213 0.000 2.141 127 L HA -0.171 4.101 4.340 -0.113 0.000 0.209 127 L C 2.753 179.491 176.870 -0.221 0.000 1.094 127 L CA 1.071 55.767 54.840 -0.239 0.000 0.763 127 L CB -0.749 41.098 42.059 -0.354 0.000 0.908 127 L HN 0.244 nan 8.230 nan 0.000 0.437 128 A N -0.116 122.566 122.820 -0.229 0.000 1.898 128 A HA -0.173 4.079 4.320 -0.113 0.000 0.216 128 A C 1.982 179.529 177.584 -0.061 0.000 1.181 128 A CA 1.264 53.165 52.037 -0.226 0.000 0.620 128 A CB -0.654 18.074 19.000 -0.454 0.000 0.819 128 A HN 0.274 nan 8.150 nan 0.000 0.442 129 F N -0.025 119.779 119.950 -0.244 0.000 2.293 129 F HA -0.054 4.419 4.527 -0.090 0.000 0.300 129 F C 2.132 177.571 175.800 -0.602 0.000 1.086 129 F CA 0.304 58.098 58.000 -0.343 0.000 1.375 129 F CB -0.147 38.644 39.000 -0.348 0.000 1.045 129 F HN 0.127 nan 8.300 nan 0.000 0.516 130 I N -1.014 119.325 120.570 -0.386 0.000 2.202 130 I HA -0.251 3.851 4.170 -0.113 0.000 0.242 130 I C 2.312 178.347 176.117 -0.137 0.000 1.091 130 I CA 1.243 62.361 61.300 -0.304 0.000 1.368 130 I CB -1.076 36.820 38.000 -0.172 0.000 1.058 130 I HN 0.030 nan 8.210 nan 0.000 0.410 131 S N 0.926 116.553 115.700 -0.122 0.000 2.368 131 S HA -0.142 4.260 4.470 -0.113 0.000 0.224 131 S C 1.935 176.519 174.600 -0.028 0.000 1.029 131 S CA 0.901 59.061 58.200 -0.067 0.000 0.988 131 S CB -0.348 62.789 63.200 -0.105 0.000 0.838 131 S HN 0.237 nan 8.310 nan 0.000 0.462 132 L N 1.995 123.166 121.223 -0.087 0.000 2.046 132 L HA -0.109 4.163 4.340 -0.113 0.000 0.208 132 L C 2.012 178.919 176.870 0.061 0.000 1.077 132 L CA 1.828 56.632 54.840 -0.060 0.000 0.747 132 L CB -0.692 41.228 42.059 -0.231 0.000 0.896 132 L HN 0.273 nan 8.230 nan 0.000 0.432 133 D N -1.559 118.853 120.400 0.019 0.000 2.117 133 D HA -0.192 4.380 4.640 -0.113 0.000 0.197 133 D C 2.164 178.533 176.300 0.114 0.000 0.987 133 D CA 0.934 54.999 54.000 0.109 0.000 0.829 133 D CB 0.111 41.020 40.800 0.182 0.000 0.961 133 D HN 0.051 nan 8.370 nan 0.000 0.460 134 R N -0.484 120.072 120.500 0.093 0.000 2.092 134 R HA -0.158 4.115 4.340 -0.113 0.000 0.231 134 R C 2.252 178.607 176.300 0.092 0.000 1.119 134 R CA 0.998 57.150 56.100 0.086 0.000 0.970 134 R CB -1.172 29.171 30.300 0.073 0.000 0.864 134 R HN 0.481 nan 8.270 nan 0.000 0.440 135 Y N 1.447 121.750 120.300 0.005 0.000 2.145 135 Y HA -0.141 4.411 4.550 0.002 0.000 0.286 135 Y C 2.034 177.953 175.900 0.031 0.000 1.145 135 Y CA 1.492 59.592 58.100 -0.000 0.000 1.148 135 Y CB -0.429 38.029 38.460 -0.004 0.000 0.981 135 Y HN -0.088 nan 8.280 nan 0.000 0.507 136 L N -0.066 121.155 121.223 -0.003 0.000 2.291 136 L HA -0.084 4.188 4.340 -0.113 0.000 0.214 136 L C 2.594 179.442 176.870 -0.035 0.000 1.120 136 L CA 0.890 55.709 54.840 -0.035 0.000 0.799 136 L CB -0.659 41.464 42.059 0.107 0.000 0.925 136 L HN 0.393 nan 8.230 nan 0.000 0.446 137 A N -0.780 122.036 122.820 -0.007 0.000 2.081 137 A HA 0.058 4.310 4.320 -0.113 0.000 0.214 137 A C 1.987 179.559 177.584 -0.020 0.000 1.158 137 A CA 0.843 52.887 52.037 0.011 0.000 0.724 137 A CB -0.034 18.996 19.000 0.050 0.000 0.826 137 A HN 0.266 nan 8.150 nan 0.000 0.463 138 I N -1.682 118.846 120.570 -0.071 0.000 3.194 138 I HA 0.017 4.119 4.170 -0.113 0.000 0.271 138 I C 1.993 177.998 176.117 -0.186 0.000 1.150 138 I CA 0.763 62.018 61.300 -0.075 0.000 1.440 138 I CB 0.309 38.293 38.000 -0.027 0.000 1.276 138 I HN 0.043 nan 8.210 nan 0.000 0.457 139 V N -0.117 119.569 119.914 -0.380 0.000 2.951 139 V HA -0.018 4.034 4.120 -0.113 0.000 0.255 139 V C 0.359 175.956 176.094 -0.828 0.000 1.088 139 V CA 1.031 62.954 62.300 -0.629 0.000 1.109 139 V CB -0.649 30.605 31.823 -0.948 0.000 0.724 139 V HN 0.371 nan 8.190 nan 0.000 0.471 140 H N -0.643 118.245 119.070 -0.303 0.000 2.439 140 H HA 0.517 4.997 4.556 -0.127 0.000 0.230 140 H C 1.207 176.462 175.328 -0.121 0.000 1.420 140 H CA 0.302 56.228 56.048 -0.203 0.000 1.305 140 H CB 0.857 30.495 29.762 -0.207 0.000 1.667 140 H HN 0.266 nan 8.280 nan 0.000 0.515 141 A N 0.826 123.622 122.820 -0.039 0.000 2.067 141 A HA -0.113 4.139 4.320 -0.113 0.000 0.219 141 A C 2.032 179.628 177.584 0.020 0.000 1.158 141 A CA 2.089 54.124 52.037 -0.003 0.000 0.661 141 A CB -0.028 18.974 19.000 0.002 0.000 0.801 141 A HN 0.564 nan 8.150 nan 0.000 0.452 142 T N -4.958 109.609 114.554 0.022 0.000 3.176 142 T HA 0.089 4.371 4.350 -0.113 0.000 0.259 142 T C 1.543 176.260 174.700 0.028 0.000 0.978 142 T CA 0.533 62.648 62.100 0.025 0.000 1.050 142 T CB -0.530 68.349 68.868 0.018 0.000 1.136 142 T HN 0.358 nan 8.240 nan 0.000 0.465 143 N N 1.570 120.295 118.700 0.042 0.000 2.049 143 N HA -0.076 4.596 4.740 -0.113 0.000 0.198 143 N C -0.021 175.487 175.510 -0.003 0.000 1.030 143 N CA 1.480 54.549 53.050 0.033 0.000 0.870 143 N CB -0.017 38.524 38.487 0.090 0.000 1.045 143 N HN 0.237 nan 8.380 nan 0.000 0.434 144 S N -0.013 115.687 115.700 0.000 0.000 2.150 144 S HA 0.102 4.504 4.470 -0.113 0.000 0.171 144 S C 0.510 175.122 174.600 0.021 0.000 1.620 144 S CA -0.655 57.532 58.200 -0.021 0.000 1.190 144 S CB 1.205 64.350 63.200 -0.092 0.000 1.102 144 S HN 0.309 nan 8.310 nan 0.000 0.464 145 Q N 2.341 122.155 119.800 0.023 0.000 1.948 145 Q HA -0.003 4.269 4.340 -0.113 0.000 0.205 145 Q C 0.808 176.831 176.000 0.040 0.000 0.992 145 Q CA 1.224 57.046 55.803 0.032 0.000 0.849 145 Q CB -0.117 28.638 28.738 0.028 0.000 0.918 145 Q HN 0.331 nan 8.270 nan 0.000 0.421 146 R N 0.835 121.358 120.500 0.039 0.000 2.767 146 R HA 0.218 4.490 4.340 -0.113 0.000 0.377 146 R C -1.809 174.523 176.300 0.053 0.000 1.151 146 R CA -0.995 55.134 56.100 0.048 0.000 1.046 146 R CB 0.967 31.295 30.300 0.046 0.000 1.404 146 R HN 0.391 nan 8.270 nan 0.000 0.580 147 P HA -0.035 nan 4.420 nan 0.000 0.236 147 P C 0.684 178.034 177.300 0.083 0.000 1.177 147 P CA 0.567 63.701 63.100 0.056 0.000 0.773 147 P CB 0.260 31.983 31.700 0.037 0.000 0.878 148 R N 0.337 120.894 120.500 0.095 0.000 2.092 148 R HA -0.032 4.240 4.340 -0.113 0.000 0.231 148 R C 2.415 178.793 176.300 0.130 0.000 1.119 148 R CA 0.903 57.084 56.100 0.135 0.000 0.970 148 R CB -0.502 29.878 30.300 0.133 0.000 0.864 148 R HN 0.082 nan 8.270 nan 0.000 0.440 149 K N 1.056 121.513 120.400 0.095 0.000 2.209 149 K HA -0.109 4.143 4.320 -0.113 0.000 0.204 149 K C 1.760 178.416 176.600 0.093 0.000 1.048 149 K CA 1.175 57.509 56.287 0.080 0.000 0.940 149 K CB 0.111 32.650 32.500 0.064 0.000 0.729 149 K HN 0.186 nan 8.250 nan 0.000 0.451 150 L N -0.114 121.172 121.223 0.104 0.000 2.130 150 L HA -0.082 4.190 4.340 -0.113 0.000 0.200 150 L C 2.343 179.312 176.870 0.164 0.000 1.075 150 L CA 0.171 55.084 54.840 0.121 0.000 0.768 150 L CB -0.382 41.737 42.059 0.100 0.000 0.933 150 L HN 0.016 nan 8.230 nan 0.000 0.451 151 L N 0.255 121.585 121.223 0.178 0.000 2.089 151 L HA -0.245 4.027 4.340 -0.113 0.000 0.213 151 L C 2.461 179.558 176.870 0.379 0.000 1.079 151 L CA 1.999 56.996 54.840 0.261 0.000 0.758 151 L CB -0.445 41.735 42.059 0.202 0.000 0.891 151 L HN 0.254 nan 8.230 nan 0.000 0.433 152 A N -2.071 120.893 122.820 0.240 0.000 2.132 152 A HA -0.017 4.235 4.320 -0.113 0.000 0.213 152 A C 2.036 179.643 177.584 0.039 0.000 1.154 152 A CA 0.893 52.925 52.037 -0.009 0.000 0.753 152 A CB -0.170 18.654 19.000 -0.292 0.000 0.826 152 A HN 0.534 nan 8.150 nan 0.000 0.469 153 E N -1.125 119.167 120.200 0.153 0.000 2.256 153 E HA 0.057 4.339 4.350 -0.113 0.000 0.198 153 E C 1.810 178.657 176.600 0.411 0.000 0.908 153 E CA 0.575 57.130 56.400 0.257 0.000 0.915 153 E CB 0.187 29.986 29.700 0.166 0.000 0.890 153 E HN 0.484 nan 8.360 nan 0.000 0.484 154 K N 0.732 121.314 120.400 0.303 0.000 2.286 154 K HA 0.052 4.304 4.320 -0.113 0.000 0.203 154 K C 2.012 178.795 176.600 0.305 0.000 1.078 154 K CA 0.363 56.845 56.287 0.324 0.000 0.957 154 K CB 0.552 33.175 32.500 0.206 0.000 1.018 154 K HN -0.106 nan 8.250 nan 0.000 0.484 155 V N 1.555 121.633 119.914 0.274 0.000 2.515 155 V HA -0.188 3.864 4.120 -0.113 0.000 0.250 155 V C 2.240 178.522 176.094 0.314 0.000 1.058 155 V CA 1.425 63.915 62.300 0.316 0.000 1.064 155 V CB -0.174 31.853 31.823 0.340 0.000 0.675 155 V HN 0.207 nan 8.190 nan 0.000 0.461 156 V N -0.332 119.693 119.914 0.185 0.000 2.392 156 V HA -0.297 3.755 4.120 -0.113 0.000 0.249 156 V C 2.188 178.093 176.094 -0.314 0.000 1.059 156 V CA 2.246 64.382 62.300 -0.275 0.000 1.051 156 V CB -0.406 31.248 31.823 -0.280 0.000 0.658 156 V HN 0.647 nan 8.190 nan 0.000 0.455 157 Y N -0.581 119.800 120.300 0.135 0.000 2.286 157 Y HA -0.001 4.483 4.550 -0.109 0.000 0.293 157 Y C 2.304 178.272 175.900 0.113 0.000 1.124 157 Y CA 1.416 59.617 58.100 0.169 0.000 1.178 157 Y CB -0.363 38.172 38.460 0.126 0.000 1.010 157 Y HN 0.175 nan 8.280 nan 0.000 0.536 158 V N -1.209 118.833 119.914 0.213 0.000 2.951 158 V HA 0.012 4.064 4.120 -0.113 0.000 0.255 158 V C 2.089 178.215 176.094 0.053 0.000 1.088 158 V CA 1.644 64.023 62.300 0.131 0.000 1.109 158 V CB -0.858 31.042 31.823 0.129 0.000 0.724 158 V HN 0.505 nan 8.190 nan 0.000 0.471 159 G N -0.581 108.232 108.800 0.020 0.000 2.743 159 G HA2 0.128 4.020 3.960 -0.113 0.000 0.206 159 G HA3 0.128 4.020 3.960 -0.113 0.000 0.206 159 G C 1.269 175.999 174.900 -0.284 0.000 1.115 159 G CA 1.018 46.079 45.100 -0.065 0.000 0.782 159 G HN 0.321 nan 8.290 nan 0.000 0.524 160 V N -0.858 118.814 119.914 -0.403 0.000 2.721 160 V HA 0.164 4.216 4.120 -0.113 0.000 0.236 160 V C 2.193 178.030 176.094 -0.428 0.000 1.116 160 V CA 0.645 62.622 62.300 -0.539 0.000 1.148 160 V CB -0.695 30.633 31.823 -0.824 0.000 0.886 160 V HN 0.410 nan 8.190 nan 0.000 0.490 161 W N 0.484 121.680 121.300 -0.175 0.000 2.381 161 W HA -0.034 4.561 4.660 -0.108 0.000 0.321 161 W C 2.311 178.824 176.519 -0.011 0.000 1.196 161 W CA 1.167 58.477 57.345 -0.058 0.000 1.304 161 W CB -0.525 28.937 29.460 0.003 0.000 1.166 161 W HN 0.082 nan 8.180 nan 0.000 0.473 162 I N 0.212 120.919 120.570 0.228 0.000 2.127 162 I HA -0.262 3.841 4.170 -0.113 0.000 0.241 162 I C -0.730 175.420 176.117 0.056 0.000 1.075 162 I CA 1.518 62.901 61.300 0.137 0.000 1.334 162 I CB -1.745 36.325 38.000 0.116 0.000 1.040 162 I HN -0.132 nan 8.210 nan 0.000 0.405 163 P HA -0.131 nan 4.420 nan 0.000 0.220 163 P C 1.202 178.448 177.300 -0.089 0.000 1.148 163 P CA 1.529 64.574 63.100 -0.093 0.000 0.803 163 P CB -0.019 31.559 31.700 -0.202 0.000 0.782 164 A N -0.803 121.985 122.820 -0.052 0.000 1.898 164 A HA -0.055 4.197 4.320 -0.113 0.000 0.214 164 A C 2.109 179.772 177.584 0.131 0.000 1.183 164 A CA 0.953 53.011 52.037 0.035 0.000 0.622 164 A CB -1.502 17.516 19.000 0.029 0.000 0.824 164 A HN 0.135 nan 8.150 nan 0.000 0.444 165 L N -0.557 120.760 121.223 0.156 0.000 2.376 165 L HA 0.041 4.313 4.340 -0.113 0.000 0.219 165 L C 1.929 178.890 176.870 0.152 0.000 1.133 165 L CA 0.523 55.477 54.840 0.189 0.000 0.816 165 L CB -0.020 42.170 42.059 0.219 0.000 0.933 165 L HN 0.361 nan 8.230 nan 0.000 0.449 166 L N -1.483 119.802 121.223 0.102 0.000 2.529 166 L HA -0.048 4.224 4.340 -0.113 0.000 0.223 166 L C 1.578 178.497 176.870 0.083 0.000 1.113 166 L CA -0.104 54.784 54.840 0.081 0.000 0.861 166 L CB 0.168 42.255 42.059 0.047 0.000 1.012 166 L HN 0.207 nan 8.230 nan 0.000 0.461 167 L N -1.151 120.119 121.223 0.078 0.000 2.592 167 L HA 0.083 4.355 4.340 -0.113 0.000 0.227 167 L C 1.972 178.931 176.870 0.149 0.000 1.127 167 L CA 1.209 56.095 54.840 0.078 0.000 0.884 167 L CB -0.273 41.764 42.059 -0.038 0.000 1.065 167 L HN -0.041 nan 8.230 nan 0.000 0.457 168 T N -1.045 113.614 114.554 0.174 0.000 3.067 168 T HA 0.055 4.337 4.350 -0.113 0.000 0.261 168 T C 1.930 176.769 174.700 0.231 0.000 1.110 168 T CA 0.607 62.825 62.100 0.197 0.000 1.113 168 T CB -0.028 68.972 68.868 0.220 0.000 0.917 168 T HN 0.229 nan 8.240 nan 0.000 0.499 169 I N 2.497 123.192 120.570 0.209 0.000 2.091 169 I HA -0.171 3.931 4.170 -0.113 0.000 0.239 169 I C -0.447 175.753 176.117 0.138 0.000 1.061 169 I CA 1.457 62.867 61.300 0.183 0.000 1.317 169 I CB -1.311 36.760 38.000 0.118 0.000 1.031 169 I HN 0.216 nan 8.210 nan 0.000 0.401 170 P HA -0.176 nan 4.420 nan 0.000 0.216 170 P C 0.762 178.122 177.300 0.100 0.000 1.150 170 P CA 1.859 65.007 63.100 0.080 0.000 0.837 170 P CB -0.219 31.217 31.700 -0.439 0.000 0.786 171 D N -1.129 119.292 120.400 0.036 0.000 2.178 171 D HA -0.096 4.476 4.640 -0.113 0.000 0.202 171 D C 1.770 178.021 176.300 -0.080 0.000 0.974 171 D CA 0.736 54.723 54.000 -0.022 0.000 0.841 171 D CB -0.804 40.004 40.800 0.013 0.000 0.953 171 D HN 0.130 nan 8.370 nan 0.000 0.478 172 F N 0.510 120.408 119.950 -0.086 0.000 2.234 172 F HA -0.134 4.324 4.527 -0.114 0.000 0.299 172 F C 1.818 177.510 175.800 -0.179 0.000 1.087 172 F CA 0.501 58.438 58.000 -0.107 0.000 1.340 172 F CB 0.231 39.194 39.000 -0.061 0.000 1.031 172 F HN -0.030 nan 8.300 nan 0.000 0.500 173 I N -1.158 119.362 120.570 -0.083 0.000 2.270 173 I HA -0.182 3.920 4.170 -0.113 0.000 0.239 173 I C 2.033 177.833 176.117 -0.527 0.000 1.080 173 I CA 1.485 62.547 61.300 -0.397 0.000 1.383 173 I CB -1.636 35.938 38.000 -0.710 0.000 1.097 173 I HN 0.026 nan 8.210 nan 0.000 0.420 174 F N 1.622 121.444 119.950 -0.213 0.000 2.558 174 F HA 0.210 4.669 4.527 -0.114 0.000 0.298 174 F C 1.528 177.060 175.800 -0.448 0.000 1.119 174 F CA 0.031 57.790 58.000 -0.402 0.000 1.451 174 F CB -0.418 38.137 39.000 -0.740 0.000 1.091 174 F HN -0.098 nan 8.300 nan 0.000 0.563 175 A N 1.190 123.811 122.820 -0.332 0.000 2.362 175 A HA 0.443 4.695 4.320 -0.113 0.000 0.276 175 A C -0.045 177.384 177.584 -0.258 0.000 1.153 175 A CA -0.161 51.576 52.037 -0.500 0.000 0.813 175 A CB -0.006 18.527 19.000 -0.778 0.000 1.081 175 A HN 0.299 nan 8.150 nan 0.000 0.507 176 N N 0.657 119.269 118.700 -0.147 0.000 2.708 176 N HA 0.315 4.987 4.740 -0.113 0.000 0.257 176 N C -1.630 173.908 175.510 0.046 0.000 1.373 176 N CA -0.541 52.505 53.050 -0.007 0.000 0.843 176 N CB 2.094 40.616 38.487 0.058 0.000 1.503 176 N HN 0.279 nan 8.380 nan 0.000 0.504 177 V N 1.283 121.196 119.914 -0.002 0.000 2.385 177 V HA 0.151 4.203 4.120 -0.113 0.000 0.269 177 V C 0.610 176.648 176.094 -0.095 0.000 1.043 177 V CA -0.273 62.007 62.300 -0.034 0.000 0.906 177 V CB 0.904 32.753 31.823 0.042 0.000 0.995 177 V HN 0.630 nan 8.190 nan 0.000 0.467 178 S N 4.393 120.054 115.700 -0.065 0.000 2.422 178 S HA 0.164 4.566 4.470 -0.113 0.000 0.283 178 S C 0.470 174.929 174.600 -0.235 0.000 1.163 178 S CA -0.513 57.570 58.200 -0.196 0.000 1.054 178 S CB 0.210 63.325 63.200 -0.141 0.000 0.967 178 S HN 0.794 nan 8.310 nan 0.000 0.499 179 E N 3.980 123.967 120.200 -0.354 0.000 2.467 179 E HA 0.199 4.481 4.350 -0.113 0.000 0.321 179 E C 0.477 176.999 176.600 -0.130 0.000 1.388 179 E CA -0.340 55.772 56.400 -0.481 0.000 1.508 179 E CB -0.025 29.411 29.700 -0.441 0.000 1.250 179 E HN 0.740 nan 8.360 nan 0.000 0.500 180 A N 1.521 124.339 122.820 -0.003 0.000 2.346 180 A HA 0.009 4.261 4.320 -0.113 0.000 0.252 180 A C 1.108 178.757 177.584 0.107 0.000 1.089 180 A CA -0.399 51.668 52.037 0.049 0.000 0.797 180 A CB 0.485 19.522 19.000 0.061 0.000 1.047 180 A HN 0.406 nan 8.150 nan 0.000 0.494 181 D N 0.458 120.898 120.400 0.068 0.000 2.160 181 D HA -0.208 4.364 4.640 -0.113 0.000 0.189 181 D C 0.961 177.303 176.300 0.069 0.000 1.003 181 D CA 2.235 56.273 54.000 0.063 0.000 0.846 181 D CB -0.036 40.788 40.800 0.040 0.000 0.949 181 D HN 0.808 nan 8.370 nan 0.000 0.446 182 D N -1.088 119.348 120.400 0.060 0.000 2.379 182 D HA 0.000 4.573 4.640 -0.113 0.000 0.208 182 D C 0.760 177.074 176.300 0.023 0.000 1.065 182 D CA 0.046 54.069 54.000 0.037 0.000 0.848 182 D CB 0.798 41.617 40.800 0.031 0.000 0.949 182 D HN 0.072 nan 8.370 nan 0.000 0.509 183 R N -0.577 119.962 120.500 0.066 0.000 2.664 183 R HA 0.225 4.498 4.340 -0.113 0.000 0.266 183 R C -1.748 174.695 176.300 0.238 0.000 1.046 183 R CA -0.572 55.557 56.100 0.050 0.000 0.885 183 R CB 1.023 31.343 30.300 0.034 0.000 1.254 183 R HN -0.031 nan 8.270 nan 0.000 0.465 184 Y N 3.134 123.421 120.300 -0.022 0.000 2.320 184 Y HA 0.377 4.859 4.550 -0.113 0.000 0.334 184 Y C 0.640 176.577 175.900 0.062 0.000 1.055 184 Y CA -1.042 57.078 58.100 0.033 0.000 1.143 184 Y CB 1.465 39.970 38.460 0.074 0.000 1.193 184 Y HN 0.220 nan 8.280 nan 0.000 0.477 185 I N 3.728 124.402 120.570 0.173 0.000 2.377 185 I HA 0.131 4.233 4.170 -0.113 0.000 0.293 185 I C -0.300 175.797 176.117 -0.033 0.000 0.987 185 I CA -0.577 60.778 61.300 0.091 0.000 1.185 185 I CB 1.357 39.437 38.000 0.133 0.000 1.341 185 I HN 0.636 nan 8.210 nan 0.000 0.455 186 c N 8.383 126.826 118.600 -0.261 0.000 2.281 186 c HA 0.789 5.291 4.570 -0.113 0.000 0.323 186 c C -0.581 173.294 174.090 -0.358 0.000 1.270 186 c CA -0.001 56.004 56.329 -0.541 0.000 1.559 186 c CB -0.403 41.230 42.510 -1.461 0.000 2.239 186 c HN 0.984 nan 8.230 nan 0.000 0.488 187 D N 4.050 124.221 120.400 -0.382 0.000 2.804 187 D HA 0.182 4.754 4.640 -0.113 0.000 0.309 187 D C -1.523 174.191 176.300 -0.977 0.000 1.311 187 D CA -0.671 53.001 54.000 -0.545 0.000 0.765 187 D CB 0.717 41.282 40.800 -0.391 0.000 1.293 187 D HN 0.650 nan 8.370 nan 0.000 0.434 188 R N -0.053 119.907 120.500 -0.900 0.000 2.308 188 R HA 0.540 4.812 4.340 -0.113 0.000 0.305 188 R C -0.870 174.845 176.300 -0.975 0.000 1.053 188 R CA -0.229 55.361 56.100 -0.850 0.000 0.957 188 R CB 0.558 30.474 30.300 -0.641 0.000 1.022 188 R HN 0.183 nan 8.270 nan 0.000 0.461 189 F N 3.038 122.745 119.950 -0.404 0.000 2.500 189 F HA 0.331 4.791 4.527 -0.112 0.000 0.349 189 F C -0.451 175.145 175.800 -0.339 0.000 1.127 189 F CA -0.891 56.958 58.000 -0.252 0.000 0.998 189 F CB 0.656 39.573 39.000 -0.138 0.000 1.237 189 F HN 0.377 nan 8.300 nan 0.000 0.439 190 Y N 2.949 123.227 120.300 -0.038 0.000 2.374 190 Y HA 0.357 4.839 4.550 -0.113 0.000 0.322 190 Y C -1.123 174.648 175.900 -0.215 0.000 1.275 190 Y CA -1.628 56.265 58.100 -0.346 0.000 1.307 190 Y CB 0.334 38.605 38.460 -0.314 0.000 1.282 190 Y HN 0.364 nan 8.280 nan 0.000 0.509 191 P HA -0.079 nan 4.420 nan 0.000 0.214 191 P C -0.855 176.491 177.300 0.075 0.000 1.162 191 P CA 1.347 64.403 63.100 -0.072 0.000 0.874 191 P CB 0.186 31.797 31.700 -0.148 0.000 0.784 192 N N -2.264 116.543 118.700 0.179 0.000 2.577 192 N HA 0.142 4.814 4.740 -0.113 0.000 0.285 192 N C 0.119 175.738 175.510 0.183 0.000 1.309 192 N CA -0.757 52.406 53.050 0.188 0.000 0.798 192 N CB -0.019 38.587 38.487 0.198 0.000 1.463 192 N HN -0.320 nan 8.380 nan 0.000 0.518 193 D N -0.552 119.919 120.400 0.118 0.000 2.312 193 D HA -0.014 4.558 4.640 -0.113 0.000 0.211 193 D C 1.247 177.572 176.300 0.042 0.000 0.964 193 D CA 0.338 54.388 54.000 0.083 0.000 0.877 193 D CB 0.281 41.120 40.800 0.064 0.000 0.924 193 D HN 0.459 nan 8.370 nan 0.000 0.515 194 L N -0.634 120.611 121.223 0.036 0.000 2.027 194 L HA -0.151 4.121 4.340 -0.113 0.000 0.206 194 L C 2.098 178.894 176.870 -0.123 0.000 1.074 194 L CA 1.020 55.822 54.840 -0.064 0.000 0.745 194 L CB -0.226 41.776 42.059 -0.094 0.000 0.898 194 L HN 0.139 nan 8.230 nan 0.000 0.433 195 W N -0.762 120.419 121.300 -0.197 0.000 2.342 195 W HA -0.227 4.365 4.660 -0.112 0.000 0.297 195 W C 2.387 178.625 176.519 -0.468 0.000 1.213 195 W CA 1.334 58.482 57.345 -0.327 0.000 1.251 195 W CB -0.711 28.602 29.460 -0.244 0.000 1.136 195 W HN -0.058 nan 8.180 nan 0.000 0.526 196 V N -0.339 119.475 119.914 -0.167 0.000 2.255 196 V HA -0.338 3.714 4.120 -0.113 0.000 0.247 196 V C 1.979 178.028 176.094 -0.076 0.000 1.051 196 V CA 1.885 64.055 62.300 -0.217 0.000 1.018 196 V CB -1.392 30.405 31.823 -0.043 0.000 0.641 196 V HN 0.035 nan 8.190 nan 0.000 0.445 197 V N -0.299 119.587 119.914 -0.046 0.000 2.287 197 V HA -0.248 3.804 4.120 -0.113 0.000 0.248 197 V C 2.433 178.513 176.094 -0.022 0.000 1.053 197 V CA 2.012 64.312 62.300 -0.001 0.000 1.027 197 V CB -0.601 31.167 31.823 -0.092 0.000 0.646 197 V HN 0.396 nan 8.190 nan 0.000 0.447 198 V N -0.509 119.281 119.914 -0.205 0.000 2.252 198 V HA -0.285 3.767 4.120 -0.113 0.000 0.249 198 V C 2.203 178.169 176.094 -0.213 0.000 1.056 198 V CA 2.475 64.577 62.300 -0.330 0.000 1.022 198 V CB -0.764 30.671 31.823 -0.647 0.000 0.641 198 V HN 0.453 nan 8.190 nan 0.000 0.445 199 F N -0.331 119.602 119.950 -0.029 0.000 2.187 199 F HA -0.048 4.410 4.527 -0.115 0.000 0.295 199 F C 2.449 178.309 175.800 0.101 0.000 1.091 199 F CA 1.086 59.109 58.000 0.038 0.000 1.308 199 F CB -0.760 38.242 39.000 0.003 0.000 1.030 199 F HN 0.095 nan 8.300 nan 0.000 0.487 200 Q N -1.369 118.576 119.800 0.241 0.000 2.515 200 Q HA -0.042 4.230 4.340 -0.113 0.000 0.212 200 Q C 1.197 177.314 176.000 0.196 0.000 0.970 200 Q CA 0.878 56.805 55.803 0.206 0.000 0.941 200 Q CB -0.246 28.579 28.738 0.145 0.000 0.998 200 Q HN 0.368 nan 8.270 nan 0.000 0.518 201 F N -1.563 118.440 119.950 0.087 0.000 2.680 201 F HA 0.123 4.581 4.527 -0.115 0.000 0.290 201 F C 2.056 177.894 175.800 0.062 0.000 1.114 201 F CA 0.075 58.102 58.000 0.045 0.000 1.333 201 F CB 0.309 39.296 39.000 -0.023 0.000 1.091 201 F HN 0.042 nan 8.300 nan 0.000 0.606 202 Q N -0.266 119.676 119.800 0.238 0.000 2.119 202 Q HA -0.283 3.990 4.340 -0.113 0.000 0.201 202 Q C 2.035 178.149 176.000 0.189 0.000 0.972 202 Q CA 1.997 57.907 55.803 0.179 0.000 0.847 202 Q CB -0.290 28.583 28.738 0.225 0.000 0.903 202 Q HN 0.535 nan 8.270 nan 0.000 0.433 203 H N 0.375 119.552 119.070 0.178 0.000 2.387 203 H HA -0.118 4.372 4.556 -0.109 0.000 0.299 203 H C 1.641 177.041 175.328 0.121 0.000 1.099 203 H CA 2.023 58.213 56.048 0.237 0.000 1.315 203 H CB 0.030 29.903 29.762 0.185 0.000 1.380 203 H HN 0.292 nan 8.280 nan 0.000 0.513 204 I N -0.293 120.233 120.570 -0.075 0.000 2.761 204 I HA -0.141 3.961 4.170 -0.113 0.000 0.261 204 I C 1.657 177.696 176.117 -0.129 0.000 1.198 204 I CA 0.598 61.768 61.300 -0.217 0.000 1.482 204 I CB -0.774 37.031 38.000 -0.325 0.000 1.100 204 I HN 0.341 nan 8.210 nan 0.000 0.445 205 M N 1.095 120.676 119.600 -0.031 0.000 2.142 205 M HA 0.011 4.423 4.480 -0.113 0.000 0.256 205 M C 2.461 178.795 176.300 0.057 0.000 1.098 205 M CA 1.313 56.619 55.300 0.010 0.000 1.151 205 M CB -1.496 31.124 32.600 0.033 0.000 1.299 205 M HN 0.143 nan 8.290 nan 0.000 0.431 206 V N -1.608 118.331 119.914 0.042 0.000 3.078 206 V HA 0.057 4.109 4.120 -0.113 0.000 0.265 206 V C 2.108 178.397 176.094 0.326 0.000 1.122 206 V CA 1.662 64.019 62.300 0.096 0.000 1.141 206 V CB -2.094 29.593 31.823 -0.225 0.000 0.735 206 V HN 0.517 nan 8.190 nan 0.000 0.498 207 G N -0.753 108.160 108.800 0.188 0.000 2.651 207 G HA2 0.208 4.100 3.960 -0.113 0.000 0.207 207 G HA3 0.208 4.100 3.960 -0.113 0.000 0.207 207 G C 1.298 176.140 174.900 -0.096 0.000 1.131 207 G CA 0.728 45.912 45.100 0.140 0.000 0.816 207 G HN 0.434 nan 8.290 nan 0.000 0.534 208 L N -0.464 120.666 121.223 -0.154 0.000 2.641 208 L HA 0.356 4.628 4.340 -0.113 0.000 0.207 208 L C 2.245 179.050 176.870 -0.109 0.000 1.049 208 L CA 0.052 54.765 54.840 -0.212 0.000 0.866 208 L CB 0.187 42.001 42.059 -0.409 0.000 1.264 208 L HN -0.070 nan 8.230 nan 0.000 0.483 209 I N 0.331 120.852 120.570 -0.081 0.000 2.162 209 I HA -0.234 3.868 4.170 -0.113 0.000 0.238 209 I C 2.476 178.592 176.117 -0.001 0.000 1.076 209 I CA 1.524 62.801 61.300 -0.039 0.000 1.353 209 I CB -1.100 36.881 38.000 -0.032 0.000 1.063 209 I HN 0.268 nan 8.210 nan 0.000 0.408 210 L N 1.106 122.369 121.223 0.067 0.000 1.989 210 L HA -0.154 4.118 4.340 -0.113 0.000 0.211 210 L C -0.103 176.763 176.870 -0.005 0.000 1.071 210 L CA 1.931 56.868 54.840 0.163 0.000 0.749 210 L CB -1.809 40.477 42.059 0.378 0.000 0.890 210 L HN 0.187 nan 8.230 nan 0.000 0.431 211 P HA -0.109 nan 4.420 nan 0.000 0.217 211 P C 1.522 178.577 177.300 -0.410 0.000 1.151 211 P CA 1.828 64.392 63.100 -0.893 0.000 0.828 211 P CB -0.164 30.834 31.700 -1.170 0.000 0.788 212 G N 0.586 109.294 108.800 -0.154 0.000 2.418 212 G HA2 -0.193 3.699 3.960 -0.113 0.000 0.217 212 G HA3 -0.193 3.699 3.960 -0.113 0.000 0.217 212 G C 1.584 176.421 174.900 -0.104 0.000 1.158 212 G CA 0.272 45.342 45.100 -0.050 0.000 0.771 212 G HN 0.121 nan 8.290 nan 0.000 0.545 213 I N 0.861 121.381 120.570 -0.083 0.000 2.286 213 I HA -0.097 4.005 4.170 -0.113 0.000 0.248 213 I C 2.905 178.967 176.117 -0.092 0.000 1.115 213 I CA 0.693 61.954 61.300 -0.064 0.000 1.392 213 I CB -0.673 37.310 38.000 -0.029 0.000 1.065 213 I HN 0.035 nan 8.210 nan 0.000 0.418 214 V N 1.008 120.840 119.914 -0.138 0.000 2.244 214 V HA -0.253 3.799 4.120 -0.113 0.000 0.244 214 V C 2.456 178.447 176.094 -0.171 0.000 1.042 214 V CA 1.586 63.790 62.300 -0.160 0.000 1.006 214 V CB -0.346 31.360 31.823 -0.196 0.000 0.641 214 V HN 0.219 nan 8.190 nan 0.000 0.446 215 I N -0.469 119.976 120.570 -0.209 0.000 2.118 215 I HA -0.328 3.774 4.170 -0.113 0.000 0.241 215 I C 2.396 178.442 176.117 -0.118 0.000 1.070 215 I CA 1.843 63.025 61.300 -0.196 0.000 1.327 215 I CB -0.347 37.478 38.000 -0.292 0.000 1.034 215 I HN 0.243 nan 8.210 nan 0.000 0.405 216 L N 0.175 121.331 121.223 -0.111 0.000 2.046 216 L HA -0.222 4.050 4.340 -0.113 0.000 0.208 216 L C 2.825 179.718 176.870 0.039 0.000 1.077 216 L CA 1.814 56.642 54.840 -0.020 0.000 0.747 216 L CB -0.421 41.615 42.059 -0.038 0.000 0.896 216 L HN 0.405 nan 8.230 nan 0.000 0.432 217 S N -1.781 113.900 115.700 -0.032 0.000 2.368 217 S HA -0.214 4.188 4.470 -0.113 0.000 0.224 217 S C 2.137 176.696 174.600 -0.068 0.000 1.029 217 S CA 1.082 59.250 58.200 -0.054 0.000 0.988 217 S CB -1.084 62.061 63.200 -0.091 0.000 0.838 217 S HN 0.444 nan 8.310 nan 0.000 0.462 218 C N 0.996 120.243 119.300 -0.088 0.000 2.413 218 C HA -0.059 4.333 4.460 -0.113 0.000 0.277 218 C C 2.502 177.524 174.990 0.053 0.000 1.228 218 C CA 1.132 60.114 59.018 -0.060 0.000 1.731 218 C CB -1.669 26.033 27.740 -0.063 0.000 2.042 218 C HN 0.761 nan 8.230 nan 0.000 0.468 219 Y N 0.346 120.617 120.300 -0.049 0.000 2.165 219 Y HA -0.241 4.236 4.550 -0.122 0.000 0.286 219 Y C 2.507 178.400 175.900 -0.012 0.000 1.155 219 Y CA 1.766 59.848 58.100 -0.031 0.000 1.164 219 Y CB -0.851 37.572 38.460 -0.061 0.000 0.978 219 Y HN 0.372 nan 8.280 nan 0.000 0.513 220 C N 0.233 119.441 119.300 -0.153 0.000 2.422 220 C HA -0.126 4.266 4.460 -0.113 0.000 0.279 220 C C 2.697 177.592 174.990 -0.158 0.000 1.305 220 C CA 1.384 60.279 59.018 -0.205 0.000 1.757 220 C CB -1.374 26.332 27.740 -0.056 0.000 1.962 220 C HN 0.663 nan 8.230 nan 0.000 0.499 221 I N -0.165 120.362 120.570 -0.072 0.000 2.480 221 I HA -0.068 4.034 4.170 -0.113 0.000 0.251 221 I C 2.131 178.237 176.117 -0.019 0.000 1.124 221 I CA 1.208 62.505 61.300 -0.005 0.000 1.444 221 I CB -0.310 37.755 38.000 0.109 0.000 1.098 221 I HN 0.213 nan 8.210 nan 0.000 0.428 222 I N 0.546 121.107 120.570 -0.016 0.000 2.142 222 I HA -0.295 3.807 4.170 -0.113 0.000 0.240 222 I C 2.477 178.537 176.117 -0.094 0.000 1.078 222 I CA 1.565 62.845 61.300 -0.033 0.000 1.343 222 I CB -0.204 37.804 38.000 0.014 0.000 1.046 222 I HN 0.137 nan 8.210 nan 0.000 0.405 223 I N -0.207 120.232 120.570 -0.218 0.000 2.530 223 I HA -0.294 3.808 4.170 -0.113 0.000 0.257 223 I C 2.537 178.582 176.117 -0.121 0.000 1.179 223 I CA 1.293 62.456 61.300 -0.229 0.000 1.440 223 I CB -0.152 37.558 38.000 -0.483 0.000 1.087 223 I HN 0.147 nan 8.210 nan 0.000 0.440 224 S N -0.382 115.255 115.700 -0.106 0.000 2.404 224 S HA -0.116 4.286 4.470 -0.113 0.000 0.223 224 S C 2.080 176.662 174.600 -0.029 0.000 1.040 224 S CA 0.990 59.154 58.200 -0.059 0.000 0.957 224 S CB -0.151 63.009 63.200 -0.066 0.000 0.826 224 S HN 0.314 nan 8.310 nan 0.000 0.491 225 K N 1.765 122.130 120.400 -0.058 0.000 2.025 225 K HA -0.011 4.241 4.320 -0.113 0.000 0.207 225 K C 1.933 178.531 176.600 -0.004 0.000 1.049 225 K CA 1.840 58.084 56.287 -0.072 0.000 0.933 225 K CB -0.797 31.615 32.500 -0.147 0.000 0.714 225 K HN 0.472 nan 8.250 nan 0.000 0.438 226 L N -0.929 120.302 121.223 0.013 0.000 2.201 226 L HA 0.127 4.399 4.340 -0.113 0.000 0.212 226 L C 2.183 179.109 176.870 0.094 0.000 1.105 226 L CA 1.877 56.761 54.840 0.074 0.000 0.775 226 L CB -1.282 40.841 42.059 0.107 0.000 0.913 226 L HN 0.077 nan 8.230 nan 0.000 0.440 227 S N -1.404 114.340 115.700 0.072 0.000 2.527 227 S HA -0.064 4.338 4.470 -0.113 0.000 0.222 227 S C 1.124 175.790 174.600 0.111 0.000 0.985 227 S CA -0.258 57.998 58.200 0.093 0.000 0.921 227 S CB -0.671 62.563 63.200 0.057 0.000 0.772 227 S HN 0.726 nan 8.310 nan 0.000 0.529 237 A N 1.708 124.556 122.820 0.046 0.000 2.492 237 A HA 0.617 4.869 4.320 -0.113 0.000 0.254 237 A C 0.988 178.602 177.584 0.050 0.000 1.091 237 A CA 0.314 52.379 52.037 0.047 0.000 0.768 237 A CB 0.405 19.441 19.000 0.060 0.000 1.028 237 A HN 1.478 nan 8.150 nan 0.000 0.498 238 L N 2.076 123.325 121.223 0.043 0.000 2.577 238 L HA 0.219 4.491 4.340 -0.113 0.000 0.225 238 L C 2.072 178.968 176.870 0.043 0.000 1.053 238 L CA 1.040 55.909 54.840 0.048 0.000 0.866 238 L CB -0.172 41.917 42.059 0.051 0.000 1.132 238 L HN 0.786 nan 8.230 nan 0.000 0.486 239 K N 0.299 120.720 120.400 0.036 0.000 2.063 239 K HA -0.111 4.142 4.320 -0.113 0.000 0.208 239 K C -0.698 175.914 176.600 0.019 0.000 1.048 239 K CA 1.857 58.161 56.287 0.029 0.000 0.928 239 K CB -1.167 31.349 32.500 0.026 0.000 0.713 239 K HN 0.301 nan 8.250 nan 0.000 0.442 240 P HA -0.112 nan 4.420 nan 0.000 0.216 240 P C 1.038 178.335 177.300 -0.006 0.000 1.150 240 P CA 1.290 64.386 63.100 -0.007 0.000 0.837 240 P CB 0.003 31.695 31.700 -0.013 0.000 0.786 241 T N -0.538 114.022 114.554 0.011 0.000 2.652 241 T HA -0.111 4.171 4.350 -0.113 0.000 0.267 241 T C 1.840 176.536 174.700 -0.007 0.000 1.039 241 T CA 1.510 63.615 62.100 0.008 0.000 1.153 241 T CB -1.041 67.841 68.868 0.024 0.000 0.863 241 T HN -0.113 nan 8.240 nan 0.000 0.428 242 V N 1.256 121.169 119.914 -0.000 0.000 2.295 242 V HA -0.130 3.922 4.120 -0.113 0.000 0.246 242 V C 2.377 178.458 176.094 -0.022 0.000 1.049 242 V CA 1.479 63.766 62.300 -0.022 0.000 1.024 242 V CB -0.677 31.148 31.823 0.004 0.000 0.648 242 V HN 0.458 nan 8.190 nan 0.000 0.447 243 I N -0.504 120.066 120.570 -0.001 0.000 2.179 243 I HA -0.246 3.856 4.170 -0.113 0.000 0.242 243 I C 2.414 178.551 176.117 0.034 0.000 1.088 243 I CA 1.401 62.708 61.300 0.012 0.000 1.357 243 I CB -0.484 37.521 38.000 0.009 0.000 1.051 243 I HN 0.286 nan 8.210 nan 0.000 0.409 244 L N 0.909 122.148 121.223 0.027 0.000 1.990 244 L HA -0.235 4.037 4.340 -0.113 0.000 0.213 244 L C 2.332 179.271 176.870 0.116 0.000 1.072 244 L CA 2.007 56.883 54.840 0.061 0.000 0.755 244 L CB -0.472 41.602 42.059 0.024 0.000 0.889 244 L HN 0.117 nan 8.230 nan 0.000 0.432 245 I N -1.292 119.307 120.570 0.050 0.000 2.202 245 I HA -0.308 3.794 4.170 -0.113 0.000 0.242 245 I C 2.337 178.523 176.117 0.114 0.000 1.091 245 I CA 1.243 62.567 61.300 0.040 0.000 1.368 245 I CB -0.218 37.712 38.000 -0.117 0.000 1.058 245 I HN 0.241 nan 8.210 nan 0.000 0.410 246 L N -0.015 121.234 121.223 0.044 0.000 2.056 246 L HA -0.198 4.074 4.340 -0.113 0.000 0.207 246 L C 2.729 179.700 176.870 0.167 0.000 1.078 246 L CA 1.330 56.210 54.840 0.067 0.000 0.749 246 L CB -0.671 41.391 42.059 0.005 0.000 0.901 246 L HN 0.245 nan 8.230 nan 0.000 0.433 247 A N -0.410 122.507 122.820 0.163 0.000 1.930 247 A HA -0.257 3.995 4.320 -0.113 0.000 0.217 247 A C 2.163 179.896 177.584 0.248 0.000 1.175 247 A CA 1.394 53.531 52.037 0.166 0.000 0.627 247 A CB -0.781 18.300 19.000 0.134 0.000 0.815 247 A HN 0.411 nan 8.150 nan 0.000 0.443 248 F N -0.769 119.308 119.950 0.211 0.000 2.102 248 F HA -0.120 4.340 4.527 -0.110 0.000 0.298 248 F C 1.861 177.888 175.800 0.380 0.000 1.105 248 F CA 1.688 59.866 58.000 0.298 0.000 1.239 248 F CB -0.238 38.953 39.000 0.317 0.000 0.991 248 F HN 0.203 nan 8.300 nan 0.000 0.474 249 F N 0.462 120.595 119.950 0.306 0.000 2.259 249 F HA 0.007 4.466 4.527 -0.113 0.000 0.298 249 F C 2.513 178.391 175.800 0.129 0.000 1.088 249 F CA 0.986 59.126 58.000 0.233 0.000 1.358 249 F CB -1.286 37.854 39.000 0.234 0.000 1.040 249 F HN 0.064 nan 8.300 nan 0.000 0.505 250 A N -1.235 121.731 122.820 0.244 0.000 1.902 250 A HA -0.199 4.053 4.320 -0.113 0.000 0.217 250 A C 2.409 179.997 177.584 0.007 0.000 1.181 250 A CA 1.687 53.794 52.037 0.117 0.000 0.623 250 A CB -1.500 17.552 19.000 0.087 0.000 0.818 250 A HN 0.450 nan 8.150 nan 0.000 0.443 251 C N -2.489 116.779 119.300 -0.052 0.000 2.413 251 C HA -0.181 4.211 4.460 -0.113 0.000 0.277 251 C C 2.402 177.179 174.990 -0.354 0.000 1.228 251 C CA 1.030 59.920 59.018 -0.213 0.000 1.731 251 C CB -1.602 25.996 27.740 -0.236 0.000 2.042 251 C HN 0.826 nan 8.230 nan 0.000 0.468 252 W N -0.111 120.944 121.300 -0.407 0.000 2.678 252 W HA 0.097 4.691 4.660 -0.109 0.000 0.256 252 W C 2.157 178.304 176.519 -0.620 0.000 1.280 252 W CA -0.094 56.863 57.345 -0.647 0.000 1.345 252 W CB -0.375 28.500 29.460 -0.976 0.000 1.118 252 W HN 0.234 nan 8.180 nan 0.000 0.629 253 L N 1.899 123.093 121.223 -0.048 0.000 1.990 253 L HA -0.146 4.126 4.340 -0.113 0.000 0.213 253 L C -0.622 176.327 176.870 0.132 0.000 1.072 253 L CA 2.295 57.200 54.840 0.109 0.000 0.755 253 L CB -1.757 40.402 42.059 0.167 0.000 0.889 253 L HN -0.223 nan 8.230 nan 0.000 0.432 254 P HA -0.218 nan 4.420 nan 0.000 0.217 254 P C 1.337 178.795 177.300 0.263 0.000 1.150 254 P CA 1.427 64.639 63.100 0.186 0.000 0.832 254 P CB -0.302 31.390 31.700 -0.013 0.000 0.787 255 Y N -0.553 119.758 120.300 0.020 0.000 2.165 255 Y HA -0.275 4.206 4.550 -0.115 0.000 0.286 255 Y C 2.049 178.068 175.900 0.198 0.000 1.155 255 Y CA 1.653 59.799 58.100 0.076 0.000 1.164 255 Y CB -1.036 37.441 38.460 0.029 0.000 0.978 255 Y HN -0.107 nan 8.280 nan 0.000 0.513 256 Y N -0.106 120.294 120.300 0.168 0.000 2.274 256 Y HA -0.234 4.249 4.550 -0.111 0.000 0.290 256 Y C 2.426 178.342 175.900 0.027 0.000 1.145 256 Y CA 0.684 58.803 58.100 0.031 0.000 1.203 256 Y CB -0.805 37.699 38.460 0.073 0.000 0.984 256 Y HN 0.166 nan 8.280 nan 0.000 0.533 257 I N -0.822 119.901 120.570 0.255 0.000 2.202 257 I HA -0.148 3.954 4.170 -0.113 0.000 0.242 257 I C 2.596 178.796 176.117 0.139 0.000 1.091 257 I CA 1.516 62.933 61.300 0.194 0.000 1.368 257 I CB -1.826 36.303 38.000 0.215 0.000 1.058 257 I HN 0.206 nan 8.210 nan 0.000 0.410 258 G N 1.342 110.263 108.800 0.201 0.000 2.402 258 G HA2 -0.176 3.716 3.960 -0.113 0.000 0.216 258 G HA3 -0.176 3.716 3.960 -0.113 0.000 0.216 258 G C 1.686 176.610 174.900 0.041 0.000 1.162 258 G CA 0.150 45.356 45.100 0.177 0.000 0.777 258 G HN 0.196 nan 8.290 nan 0.000 0.539 259 I N 1.293 121.797 120.570 -0.110 0.000 2.493 259 I HA -0.084 4.018 4.170 -0.113 0.000 0.254 259 I C 2.835 178.929 176.117 -0.039 0.000 1.160 259 I CA 1.338 62.542 61.300 -0.160 0.000 1.445 259 I CB -0.332 37.429 38.000 -0.398 0.000 1.086 259 I HN 0.263 nan 8.210 nan 0.000 0.433 260 S N 1.014 116.730 115.700 0.027 0.000 2.345 260 S HA -0.116 4.286 4.470 -0.113 0.000 0.220 260 S C 2.097 176.835 174.600 0.230 0.000 1.031 260 S CA 1.061 59.308 58.200 0.078 0.000 0.996 260 S CB -0.126 63.169 63.200 0.159 0.000 0.882 260 S HN 0.362 nan 8.310 nan 0.000 0.445 261 I N 1.631 122.346 120.570 0.242 0.000 2.179 261 I HA -0.159 3.943 4.170 -0.113 0.000 0.242 261 I C 2.437 178.690 176.117 0.227 0.000 1.088 261 I CA 1.775 63.230 61.300 0.258 0.000 1.357 261 I CB -0.562 37.486 38.000 0.080 0.000 1.051 261 I HN 0.363 nan 8.210 nan 0.000 0.409 262 D N 0.781 121.276 120.400 0.159 0.000 2.149 262 D HA -0.189 4.383 4.640 -0.113 0.000 0.198 262 D C 2.198 178.582 176.300 0.140 0.000 0.990 262 D CA 1.811 55.911 54.000 0.167 0.000 0.839 262 D CB 0.043 40.916 40.800 0.122 0.000 0.948 262 D HN 0.385 nan 8.370 nan 0.000 0.460 263 S N -1.325 114.422 115.700 0.078 0.000 2.436 263 S HA -0.056 4.346 4.470 -0.113 0.000 0.228 263 S C 1.935 176.534 174.600 -0.002 0.000 1.014 263 S CA 0.149 58.361 58.200 0.021 0.000 0.950 263 S CB -0.674 62.490 63.200 -0.060 0.000 0.784 263 S HN 0.197 nan 8.310 nan 0.000 0.504 264 F N 2.374 122.355 119.950 0.052 0.000 2.163 264 F HA 0.172 4.631 4.527 -0.113 0.000 0.297 264 F C 2.106 177.928 175.800 0.037 0.000 1.094 264 F CA 0.651 58.673 58.000 0.037 0.000 1.290 264 F CB -0.510 38.499 39.000 0.015 0.000 1.017 264 F HN 0.168 nan 8.300 nan 0.000 0.483 265 I N -1.210 119.497 120.570 0.229 0.000 2.286 265 I HA -0.210 3.892 4.170 -0.113 0.000 0.245 265 I C 2.269 178.455 176.117 0.116 0.000 1.104 265 I CA 0.792 62.180 61.300 0.146 0.000 1.397 265 I CB -0.825 37.247 38.000 0.121 0.000 1.072 265 I HN 0.049 nan 8.210 nan 0.000 0.417 266 L N 0.690 121.984 121.223 0.118 0.000 2.127 266 L HA -0.109 4.163 4.340 -0.113 0.000 0.211 266 L C 1.914 178.827 176.870 0.071 0.000 1.089 266 L CA 1.867 56.765 54.840 0.097 0.000 0.757 266 L CB -0.300 41.823 42.059 0.108 0.000 0.899 266 L HN 0.184 nan 8.230 nan 0.000 0.434 267 L N 0.344 121.609 121.223 0.069 0.000 2.607 267 L HA 0.099 4.371 4.340 -0.113 0.000 0.228 267 L C 1.254 178.162 176.870 0.063 0.000 1.123 267 L CA 0.845 55.713 54.840 0.047 0.000 0.890 267 L CB -0.584 41.485 42.059 0.016 0.000 1.103 267 L HN 0.559 nan 8.230 nan 0.000 0.468 268 E N -2.006 118.243 120.200 0.081 0.000 3.286 268 E HA -0.316 3.967 4.350 -0.113 0.000 0.292 268 E C 1.001 177.649 176.600 0.081 0.000 0.928 268 E CA 1.160 57.605 56.400 0.075 0.000 0.982 268 E CB -2.336 27.393 29.700 0.048 0.000 1.500 268 E HN 0.500 nan 8.360 nan 0.000 0.441 269 I N 0.868 121.517 120.570 0.131 0.000 2.233 269 I HA -0.052 4.051 4.170 -0.113 0.000 0.243 269 I C 1.854 177.997 176.117 0.044 0.000 1.093 269 I CA 1.366 62.739 61.300 0.122 0.000 1.380 269 I CB -0.202 37.962 38.000 0.273 0.000 1.067 269 I HN 0.370 nan 8.210 nan 0.000 0.413 270 I N 0.367 120.962 120.570 0.043 0.000 2.499 270 I HA 0.383 4.485 4.170 -0.113 0.000 0.296 270 I C -0.446 175.669 176.117 -0.004 0.000 0.992 270 I CA -0.373 60.912 61.300 -0.025 0.000 1.297 270 I CB 1.197 39.151 38.000 -0.076 0.000 1.410 270 I HN -0.014 nan 8.210 nan 0.000 0.507 271 K N 4.774 125.156 120.400 -0.030 0.000 2.790 271 K HA 0.334 4.586 4.320 -0.113 0.000 0.253 271 K C -0.847 175.734 176.600 -0.032 0.000 1.082 271 K CA -0.338 55.939 56.287 -0.017 0.000 1.067 271 K CB 0.645 33.140 32.500 -0.008 0.000 1.284 271 K HN 0.905 nan 8.250 nan 0.000 0.529 272 Q N 0.606 120.393 119.800 -0.022 0.000 2.245 272 Q HA 0.344 4.616 4.340 -0.113 0.000 0.236 272 Q C 0.135 176.157 176.000 0.038 0.000 0.842 272 Q CA 0.435 56.232 55.803 -0.011 0.000 0.945 272 Q CB 0.936 29.625 28.738 -0.082 0.000 1.122 272 Q HN 1.012 nan 8.270 nan 0.000 0.506 273 G N -0.409 108.415 108.800 0.039 0.000 2.526 273 G HA2 -0.240 3.652 3.960 -0.113 0.000 0.250 273 G HA3 -0.240 3.652 3.960 -0.113 0.000 0.250 273 G C 0.198 175.129 174.900 0.051 0.000 1.289 273 G CA -0.470 44.654 45.100 0.040 0.000 0.947 273 G HN 0.140 nan 8.290 nan 0.000 0.517 274 C N 0.867 120.187 119.300 0.034 0.000 2.472 274 C HA 0.168 4.560 4.460 -0.113 0.000 0.278 274 C C 2.616 177.617 174.990 0.018 0.000 1.447 274 C CA 1.728 60.755 59.018 0.015 0.000 1.773 274 C CB -1.737 26.003 27.740 0.000 0.000 1.793 274 C HN 0.813 nan 8.230 nan 0.000 0.544 275 E N -0.020 120.207 120.200 0.045 0.000 2.047 275 E HA -0.188 4.094 4.350 -0.113 0.000 0.191 275 E C 1.618 178.207 176.600 -0.019 0.000 0.987 275 E CA 1.478 57.889 56.400 0.018 0.000 0.799 275 E CB -0.662 29.060 29.700 0.036 0.000 0.752 275 E HN 0.522 nan 8.360 nan 0.000 0.449 276 F N 1.274 121.216 119.950 -0.014 0.000 2.558 276 F HA 0.066 4.525 4.527 -0.114 0.000 0.298 276 F C 2.345 178.139 175.800 -0.010 0.000 1.119 276 F CA 0.680 58.671 58.000 -0.016 0.000 1.451 276 F CB 0.278 39.258 39.000 -0.034 0.000 1.091 276 F HN 0.032 nan 8.300 nan 0.000 0.563 277 E N 0.289 120.553 120.200 0.108 0.000 2.106 277 E HA -0.185 4.097 4.350 -0.113 0.000 0.192 277 E C 1.665 178.227 176.600 -0.064 0.000 0.984 277 E CA 0.850 57.261 56.400 0.017 0.000 0.806 277 E CB -0.144 29.530 29.700 -0.044 0.000 0.750 277 E HN 0.482 nan 8.360 nan 0.000 0.458 278 N N -0.442 118.229 118.700 -0.048 0.000 2.376 278 N HA -0.042 4.631 4.740 -0.113 0.000 0.177 278 N C 1.591 177.145 175.510 0.073 0.000 1.024 278 N CA 0.830 53.875 53.050 -0.007 0.000 0.893 278 N CB 0.174 38.652 38.487 -0.015 0.000 0.980 278 N HN 0.084 nan 8.380 nan 0.000 0.439 279 T N 0.809 115.363 114.554 -0.001 0.000 2.821 279 T HA -0.043 4.239 4.350 -0.113 0.000 0.267 279 T C 2.190 176.979 174.700 0.148 0.000 1.046 279 T CA 0.660 62.749 62.100 -0.020 0.000 1.139 279 T CB -0.132 68.524 68.868 -0.352 0.000 0.871 279 T HN -0.041 nan 8.240 nan 0.000 0.454 280 V N 0.990 121.007 119.914 0.172 0.000 2.358 280 V HA -0.164 3.888 4.120 -0.113 0.000 0.246 280 V C 2.310 178.622 176.094 0.364 0.000 1.047 280 V CA 1.491 63.933 62.300 0.237 0.000 1.035 280 V CB -0.606 31.343 31.823 0.209 0.000 0.658 280 V HN 0.646 nan 8.190 nan 0.000 0.452 281 H N -0.444 118.720 119.070 0.157 0.000 2.457 281 H HA -0.099 4.390 4.556 -0.113 0.000 0.294 281 H C 2.355 177.789 175.328 0.176 0.000 1.064 281 H CA 1.202 57.345 56.048 0.158 0.000 1.330 281 H CB 0.298 30.135 29.762 0.124 0.000 1.395 281 H HN 0.366 nan 8.280 nan 0.000 0.541 282 K N 0.035 120.611 120.400 0.294 0.000 2.103 282 K HA -0.156 4.096 4.320 -0.113 0.000 0.204 282 K C 1.880 178.625 176.600 0.241 0.000 1.052 282 K CA 0.747 57.171 56.287 0.228 0.000 0.945 282 K CB 0.006 32.623 32.500 0.194 0.000 0.722 282 K HN 0.207 nan 8.250 nan 0.000 0.443 283 W N 1.429 122.784 121.300 0.092 0.000 2.354 283 W HA -0.138 4.453 4.660 -0.115 0.000 0.315 283 W C 1.753 178.324 176.519 0.086 0.000 1.206 283 W CA 1.353 58.745 57.345 0.078 0.000 1.290 283 W CB -0.386 29.122 29.460 0.081 0.000 1.152 283 W HN -0.036 nan 8.180 nan 0.000 0.489 284 I N -0.479 120.288 120.570 0.329 0.000 2.151 284 I HA -0.421 3.681 4.170 -0.113 0.000 0.243 284 I C 2.485 178.735 176.117 0.221 0.000 1.080 284 I CA 1.781 63.228 61.300 0.246 0.000 1.339 284 I CB -1.065 37.018 38.000 0.137 0.000 1.039 284 I HN -0.189 nan 8.210 nan 0.000 0.409 285 S N 0.974 116.772 115.700 0.164 0.000 2.359 285 S HA -0.199 4.203 4.470 -0.113 0.000 0.224 285 S C 2.013 176.639 174.600 0.043 0.000 1.035 285 S CA 2.063 60.339 58.200 0.127 0.000 1.018 285 S CB -0.561 62.715 63.200 0.127 0.000 0.876 285 S HN 0.566 nan 8.310 nan 0.000 0.448 286 I N 1.245 121.815 120.570 0.001 0.000 2.233 286 I HA -0.094 4.008 4.170 -0.113 0.000 0.243 286 I C 2.468 178.489 176.117 -0.161 0.000 1.093 286 I CA 1.774 63.026 61.300 -0.079 0.000 1.380 286 I CB -1.600 36.350 38.000 -0.082 0.000 1.067 286 I HN 0.283 nan 8.210 nan 0.000 0.413 287 T N -1.570 112.884 114.554 -0.166 0.000 2.833 287 T HA -0.203 4.079 4.350 -0.113 0.000 0.269 287 T C 1.804 176.394 174.700 -0.184 0.000 1.054 287 T CA 1.645 63.640 62.100 -0.175 0.000 1.135 287 T CB -0.714 68.086 68.868 -0.114 0.000 0.869 287 T HN 0.654 nan 8.240 nan 0.000 0.466 288 E N 1.247 121.372 120.200 -0.124 0.000 2.072 288 E HA -0.010 4.272 4.350 -0.113 0.000 0.191 288 E C 2.457 178.440 176.600 -1.029 0.000 0.985 288 E CA 0.890 57.014 56.400 -0.461 0.000 0.801 288 E CB -0.358 29.246 29.700 -0.160 0.000 0.750 288 E HN 0.656 nan 8.360 nan 0.000 0.452 289 A N 0.816 123.166 122.820 -0.782 0.000 1.897 289 A HA -0.100 4.153 4.320 -0.113 0.000 0.215 289 A C 2.073 179.296 177.584 -0.601 0.000 1.181 289 A CA 0.694 52.177 52.037 -0.923 0.000 0.620 289 A CB -0.504 18.218 19.000 -0.464 0.000 0.821 289 A HN 0.331 nan 8.150 nan 0.000 0.443 290 L N -0.702 120.304 121.223 -0.362 0.000 2.362 290 L HA 0.003 4.275 4.340 -0.113 0.000 0.219 290 L C 2.147 178.893 176.870 -0.208 0.000 1.134 290 L CA 1.332 56.077 54.840 -0.159 0.000 0.807 290 L CB -0.112 41.819 42.059 -0.214 0.000 0.927 290 L HN 0.333 nan 8.230 nan 0.000 0.447 291 A N -2.098 120.402 122.820 -0.533 0.000 2.462 291 A HA 0.143 4.395 4.320 -0.113 0.000 0.261 291 A C 1.047 178.219 177.584 -0.687 0.000 1.323 291 A CA -0.171 51.391 52.037 -0.792 0.000 0.913 291 A CB -0.613 17.615 19.000 -1.287 0.000 1.028 291 A HN 0.331 nan 8.150 nan 0.000 0.511 292 F N -1.794 117.962 119.950 -0.325 0.000 2.698 292 F HA 0.227 4.685 4.527 -0.115 0.000 0.295 292 F C 1.277 176.863 175.800 -0.357 0.000 1.124 292 F CA -0.768 57.047 58.000 -0.308 0.000 1.426 292 F CB -0.885 38.010 39.000 -0.174 0.000 1.120 292 F HN 0.360 nan 8.300 nan 0.000 0.583 293 F N 0.696 120.559 119.950 -0.145 0.000 2.346 293 F HA -0.265 4.193 4.527 -0.114 0.000 0.301 293 F C 2.879 178.621 175.800 -0.096 0.000 1.070 293 F CA 1.550 59.478 58.000 -0.119 0.000 1.407 293 F CB -0.764 38.169 39.000 -0.112 0.000 1.072 293 F HN 0.246 nan 8.300 nan 0.000 0.543 294 H N -1.717 117.382 119.070 0.048 0.000 2.426 294 H HA -0.208 4.282 4.556 -0.111 0.000 0.298 294 H C 2.080 177.530 175.328 0.204 0.000 1.107 294 H CA 1.686 57.796 56.048 0.103 0.000 1.298 294 H CB -1.194 28.537 29.762 -0.053 0.000 1.377 294 H HN 0.365 nan 8.280 nan 0.000 0.519 295 C N 0.813 119.857 119.300 -0.427 0.000 2.435 295 C HA -0.079 4.313 4.460 -0.113 0.000 0.279 295 C C 3.229 178.203 174.990 -0.026 0.000 1.321 295 C CA 0.675 59.575 59.018 -0.197 0.000 1.752 295 C CB -1.041 26.554 27.740 -0.240 0.000 1.959 295 C HN 0.743 nan 8.230 nan 0.000 0.500 296 C N 1.265 120.547 119.300 -0.031 0.000 2.492 296 C HA 0.020 4.412 4.460 -0.113 0.000 0.279 296 C C 2.331 177.374 174.990 0.089 0.000 1.335 296 C CA 0.580 59.608 59.018 0.017 0.000 1.734 296 C CB -1.490 26.247 27.740 -0.005 0.000 2.027 296 C HN 0.715 nan 8.230 nan 0.000 0.496 297 L N 0.872 122.173 121.223 0.130 0.000 2.642 297 L HA 0.036 4.308 4.340 -0.113 0.000 0.236 297 L C 1.778 178.713 176.870 0.109 0.000 1.169 297 L CA 1.548 56.467 54.840 0.132 0.000 0.851 297 L CB -1.360 40.792 42.059 0.155 0.000 0.968 297 L HN 0.375 nan 8.230 nan 0.000 0.453 298 N N 0.827 119.604 118.700 0.127 0.000 2.182 298 N HA 0.010 4.682 4.740 -0.113 0.000 0.186 298 N C -0.677 174.927 175.510 0.157 0.000 1.036 298 N CA 1.053 54.174 53.050 0.118 0.000 0.850 298 N CB -0.535 38.053 38.487 0.168 0.000 1.010 298 N HN 0.256 nan 8.380 nan 0.000 0.432 299 P HA -0.009 nan 4.420 nan 0.000 0.219 299 P C 1.455 178.929 177.300 0.289 0.000 1.150 299 P CA 0.682 63.981 63.100 0.331 0.000 0.814 299 P CB 0.057 31.857 31.700 0.166 0.000 0.787 300 I N -0.884 119.775 120.570 0.149 0.000 2.493 300 I HA -0.150 3.952 4.170 -0.113 0.000 0.254 300 I C 2.173 178.328 176.117 0.063 0.000 1.160 300 I CA 1.014 62.378 61.300 0.106 0.000 1.445 300 I CB -1.417 36.635 38.000 0.088 0.000 1.086 300 I HN 0.025 nan 8.210 nan 0.000 0.433 301 L N -0.175 121.030 121.223 -0.029 0.000 2.349 301 L HA -0.202 4.070 4.340 -0.113 0.000 0.220 301 L C 0.393 177.091 176.870 -0.286 0.000 1.130 301 L CA 0.933 55.656 54.840 -0.194 0.000 0.791 301 L CB -0.470 41.456 42.059 -0.222 0.000 0.918 301 L HN 0.180 nan 8.230 nan 0.000 0.444 302 Y N 0.051 120.381 120.300 0.050 0.000 2.636 302 Y HA 0.453 4.935 4.550 -0.113 0.000 0.341 302 Y C 0.476 176.399 175.900 0.038 0.000 1.169 302 Y CA -0.163 57.964 58.100 0.043 0.000 1.498 302 Y CB -0.051 38.433 38.460 0.040 0.000 1.362 302 Y HN 0.045 nan 8.280 nan 0.000 0.494 1003 I N 1.079 121.568 120.570 -0.136 0.000 2.439 1003 I HA -0.095 4.007 4.170 -0.113 0.000 0.251 1003 I C 1.805 177.927 176.117 0.009 0.000 1.139 1003 I CA 0.967 62.300 61.300 0.054 0.000 1.438 1003 I CB 0.019 38.177 38.000 0.265 0.000 1.085 1003 I HN 0.196 nan 8.210 nan 0.000 0.427 1004 F N 1.947 121.716 119.950 -0.303 0.000 2.051 1004 F HA -0.293 4.168 4.527 -0.110 0.000 0.296 1004 F C 2.364 177.747 175.800 -0.694 0.000 1.122 1004 F CA 2.238 59.730 58.000 -0.846 0.000 1.201 1004 F CB -0.299 38.236 39.000 -0.776 0.000 0.978 1004 F HN 0.034 nan 8.300 nan 0.000 0.472 1005 E N 0.383 120.353 120.200 -0.384 0.000 2.118 1005 E HA -0.281 4.001 4.350 -0.113 0.000 0.195 1005 E C 2.325 178.677 176.600 -0.414 0.000 0.992 1005 E CA 1.868 58.051 56.400 -0.362 0.000 0.804 1005 E CB -0.458 29.082 29.700 -0.267 0.000 0.741 1005 E HN 0.571 nan 8.360 nan 0.000 0.458 1006 M N -0.534 118.762 119.600 -0.505 0.000 2.059 1006 M HA -0.174 4.238 4.480 -0.113 0.000 0.259 1006 M C 1.632 177.701 176.300 -0.384 0.000 1.072 1006 M CA 1.412 56.351 55.300 -0.602 0.000 1.117 1006 M CB -0.141 32.175 32.600 -0.474 0.000 1.320 1006 M HN 0.199 nan 8.290 nan 0.000 0.408 1007 L N -0.029 120.986 121.223 -0.347 0.000 2.201 1007 L HA -0.173 4.099 4.340 -0.113 0.000 0.212 1007 L C 2.523 179.157 176.870 -0.392 0.000 1.105 1007 L CA 1.432 56.086 54.840 -0.311 0.000 0.775 1007 L CB -1.398 40.472 42.059 -0.313 0.000 0.913 1007 L HN 0.488 nan 8.230 nan 0.000 0.440 1008 R N 0.273 120.438 120.500 -0.558 0.000 2.075 1008 R HA -0.142 4.130 4.340 -0.113 0.000 0.232 1008 R C 2.243 178.387 176.300 -0.261 0.000 1.126 1008 R CA 1.266 57.051 56.100 -0.525 0.000 0.963 1008 R CB -0.057 29.846 30.300 -0.662 0.000 0.858 1008 R HN 0.289 nan 8.270 nan 0.000 0.435 1009 I N 0.623 121.102 120.570 -0.152 0.000 2.439 1009 I HA -0.214 3.888 4.170 -0.113 0.000 0.251 1009 I C 1.445 177.580 176.117 0.030 0.000 1.139 1009 I CA 1.045 62.345 61.300 -0.001 0.000 1.438 1009 I CB -0.089 38.015 38.000 0.173 0.000 1.085 1009 I HN 0.120 nan 8.210 nan 0.000 0.427 1010 D N 0.243 120.664 120.400 0.035 0.000 2.269 1010 D HA -0.066 4.507 4.640 -0.113 0.000 0.220 1010 D C 1.775 178.072 176.300 -0.006 0.000 0.962 1010 D CA 1.055 55.088 54.000 0.055 0.000 0.884 1010 D CB 0.027 40.903 40.800 0.126 0.000 1.023 1010 D HN 0.284 nan 8.370 nan 0.000 0.484 1011 E N -0.038 120.125 120.200 -0.062 0.000 2.476 1011 E HA 0.329 4.611 4.350 -0.113 0.000 0.199 1011 E C 0.323 176.860 176.600 -0.106 0.000 1.021 1011 E CA -0.015 56.348 56.400 -0.063 0.000 0.907 1011 E CB 0.971 30.645 29.700 -0.043 0.000 0.974 1011 E HN 0.189 nan 8.360 nan 0.000 0.489 1012 G N 1.760 110.471 108.800 -0.148 0.000 2.825 1012 G HA2 -0.242 3.650 3.960 -0.113 0.000 0.686 1012 G HA3 -0.242 3.650 3.960 -0.113 0.000 0.686 1012 G C -0.841 173.946 174.900 -0.189 0.000 1.362 1012 G CA -0.291 44.714 45.100 -0.158 0.000 0.975 1012 G HN 0.138 nan 8.290 nan 0.000 0.594 1013 L N 2.848 123.949 121.223 -0.204 0.000 2.322 1013 L HA 1.029 5.302 4.340 -0.113 0.000 0.281 1013 L C 0.390 177.207 176.870 -0.090 0.000 1.014 1013 L CA -0.627 54.098 54.840 -0.191 0.000 0.815 1013 L CB 1.281 43.166 42.059 -0.291 0.000 1.247 1013 L HN 1.123 nan 8.230 nan 0.000 0.421 1014 R N 3.922 124.397 120.500 -0.041 0.000 2.692 1014 R HA 0.524 4.796 4.340 -0.113 0.000 0.269 1014 R C -1.136 175.181 176.300 0.027 0.000 1.030 1014 R CA -0.900 55.200 56.100 -0.002 0.000 0.882 1014 R CB 0.749 31.054 30.300 0.008 0.000 1.250 1014 R HN 0.646 nan 8.270 nan 0.000 0.465 1015 L N -0.850 120.394 121.223 0.034 0.000 2.808 1015 L HA 0.486 4.758 4.340 -0.113 0.000 0.246 1015 L C 0.530 177.429 176.870 0.048 0.000 1.153 1015 L CA -0.487 54.378 54.840 0.042 0.000 0.956 1015 L CB -0.055 42.023 42.059 0.033 0.000 1.270 1015 L HN 0.449 nan 8.230 nan 0.000 0.528 1016 K N 0.560 120.995 120.400 0.058 0.000 2.307 1016 K HA 0.669 4.921 4.320 -0.113 0.000 0.239 1016 K C -0.617 176.044 176.600 0.102 0.000 1.083 1016 K CA -0.850 55.476 56.287 0.065 0.000 0.913 1016 K CB 2.286 34.825 32.500 0.065 0.000 1.322 1016 K HN -0.118 nan 8.250 nan 0.000 0.514 1017 I N -0.242 120.402 120.570 0.123 0.000 3.205 1017 I HA 0.363 4.465 4.170 -0.113 0.000 0.310 1017 I C -0.436 175.850 176.117 0.282 0.000 1.089 1017 I CA -0.695 60.724 61.300 0.199 0.000 1.023 1017 I CB 1.335 39.432 38.000 0.163 0.000 1.269 1017 I HN 0.559 nan 8.210 nan 0.000 0.512 1018 Y N 1.751 122.163 120.300 0.186 0.000 2.896 1018 Y HA 0.710 5.192 4.550 -0.113 0.000 0.317 1018 Y C -1.831 174.128 175.900 0.097 0.000 1.444 1018 Y CA -1.202 56.973 58.100 0.125 0.000 1.084 1018 Y CB 1.186 39.694 38.460 0.080 0.000 1.382 1018 Y HN 0.561 nan 8.280 nan 0.000 0.471 1019 K N 0.710 120.261 120.400 -1.416 0.000 2.579 1019 K HA 0.626 4.878 4.320 -0.113 0.000 0.284 1019 K C -2.282 173.607 176.600 -1.184 0.000 0.990 1019 K CA -0.707 54.902 56.287 -1.131 0.000 0.880 1019 K CB 2.093 34.206 32.500 -0.645 0.000 1.488 1019 K HN 0.530 nan 8.250 nan 0.000 0.425 1025 Y N 1.403 121.667 120.300 -0.059 0.000 2.350 1025 Y HA 0.550 5.032 4.550 -0.113 0.000 0.340 1025 Y C 0.854 176.780 175.900 0.044 0.000 1.006 1025 Y CA -0.058 58.021 58.100 -0.036 0.000 1.166 1025 Y CB 1.680 40.123 38.460 -0.028 0.000 1.168 1025 Y HN 0.399 nan 8.280 nan 0.000 0.502 1026 T N 4.760 119.491 114.554 0.295 0.000 2.893 1026 T HA 0.641 4.923 4.350 -0.113 0.000 0.291 1026 T C -1.342 173.506 174.700 0.247 0.000 1.028 1026 T CA -0.484 61.782 62.100 0.276 0.000 0.995 1026 T CB 1.053 70.139 68.868 0.363 0.000 1.051 1026 T HN 0.500 nan 8.240 nan 0.000 0.470 1027 I N 1.792 122.501 120.570 0.231 0.000 3.042 1027 I HA 0.705 4.807 4.170 -0.113 0.000 0.310 1027 I C 0.920 177.149 176.117 0.186 0.000 1.117 1027 I CA 0.721 62.138 61.300 0.196 0.000 1.003 1027 I CB 1.733 39.848 38.000 0.191 0.000 1.228 1027 I HN 0.874 nan 8.210 nan 0.000 0.443 1028 G N 4.616 113.486 108.800 0.117 0.000 2.629 1028 G HA2 -0.297 3.595 3.960 -0.113 0.000 0.313 1028 G HA3 -0.297 3.595 3.960 -0.113 0.000 0.313 1028 G C -0.169 174.738 174.900 0.012 0.000 1.217 1028 G CA 0.687 45.831 45.100 0.073 0.000 0.994 1028 G HN 0.747 nan 8.290 nan 0.000 0.549 1029 I N 2.017 122.584 120.570 -0.004 0.000 2.347 1029 I HA 0.548 4.650 4.170 -0.113 0.000 0.283 1029 I C 1.298 177.446 176.117 0.052 0.000 1.058 1029 I CA 0.615 61.845 61.300 -0.117 0.000 1.202 1029 I CB 0.716 38.450 38.000 -0.444 0.000 1.386 1029 I HN 1.715 nan 8.210 nan 0.000 0.475 1030 G N 3.697 112.533 108.800 0.061 0.000 2.416 1030 G HA2 -0.360 3.532 3.960 -0.113 0.000 0.301 1030 G HA3 -0.360 3.532 3.960 -0.113 0.000 0.301 1030 G C 0.224 175.260 174.900 0.226 0.000 0.985 1030 G CA 0.488 45.667 45.100 0.131 0.000 0.934 1030 G HN 0.874 nan 8.290 nan 0.000 0.513 1031 H N -0.607 118.558 119.070 0.158 0.000 2.761 1031 H HA 0.523 5.011 4.556 -0.112 0.000 0.284 1031 H C 0.609 176.035 175.328 0.162 0.000 1.105 1031 H CA -0.997 55.156 56.048 0.175 0.000 1.352 1031 H CB 0.415 30.275 29.762 0.163 0.000 1.423 1031 H HN 0.252 nan 8.280 nan 0.000 0.464 1032 L N 6.729 127.809 121.223 -0.239 0.000 2.500 1032 L HA 0.002 4.274 4.340 -0.113 0.000 0.272 1032 L C 0.512 177.191 176.870 -0.319 0.000 1.149 1032 L CA -0.012 54.734 54.840 -0.157 0.000 0.897 1032 L CB 0.302 42.322 42.059 -0.065 0.000 1.178 1032 L HN 0.839 nan 8.230 nan 0.000 0.473 1033 L N 3.067 124.235 121.223 -0.091 0.000 1.993 1033 L HA 0.032 4.304 4.340 -0.113 0.000 0.206 1033 L C 0.989 177.846 176.870 -0.022 0.000 1.074 1033 L CA 1.152 55.986 54.840 -0.009 0.000 0.746 1033 L CB -0.201 41.916 42.059 0.097 0.000 0.896 1033 L HN 0.637 nan 8.230 nan 0.000 0.435 1034 T N -2.139 112.412 114.554 -0.005 0.000 2.923 1034 T HA 0.202 4.484 4.350 -0.113 0.000 0.311 1034 T C 0.092 174.703 174.700 -0.149 0.000 1.183 1034 T CA -0.699 61.376 62.100 -0.043 0.000 1.020 1034 T CB 1.921 70.800 68.868 0.018 0.000 1.165 1034 T HN -0.002 nan 8.240 nan 0.000 0.482 1035 K N 1.416 121.670 120.400 -0.244 0.000 2.400 1035 K HA 0.232 4.484 4.320 -0.113 0.000 0.194 1035 K C 0.380 176.815 176.600 -0.275 0.000 1.033 1035 K CA 0.067 56.083 56.287 -0.453 0.000 1.021 1035 K CB 0.230 32.480 32.500 -0.417 0.000 0.808 1035 K HN 0.474 nan 8.250 nan 0.000 0.505 1036 S N 2.311 117.937 115.700 -0.124 0.000 2.545 1036 S HA 0.154 4.556 4.470 -0.113 0.000 0.275 1036 S C -2.336 172.265 174.600 0.002 0.000 1.299 1036 S CA -1.091 57.081 58.200 -0.048 0.000 1.048 1036 S CB 1.152 64.345 63.200 -0.011 0.000 0.938 1036 S HN 0.083 nan 8.310 nan 0.000 0.496 1037 P HA 0.252 nan 4.420 nan 0.000 0.220 1037 P C -0.882 176.525 177.300 0.177 0.000 1.806 1037 P CA -0.055 63.061 63.100 0.028 0.000 0.976 1037 P CB -0.160 31.525 31.700 -0.026 0.000 1.952 1038 S N 1.039 116.914 115.700 0.292 0.000 2.736 1038 S HA 0.293 4.695 4.470 -0.113 0.000 0.285 1038 S C 0.581 175.225 174.600 0.072 0.000 1.163 1038 S CA -0.550 57.758 58.200 0.180 0.000 1.025 1038 S CB 0.853 64.096 63.200 0.073 0.000 1.030 1038 S HN 0.061 nan 8.310 nan 0.000 0.486 1039 L N 5.460 126.608 121.223 -0.124 0.000 2.141 1039 L HA 0.091 4.364 4.340 -0.113 0.000 0.209 1039 L C 2.046 178.779 176.870 -0.227 0.000 1.094 1039 L CA 1.791 56.364 54.840 -0.445 0.000 0.763 1039 L CB -0.462 41.368 42.059 -0.381 0.000 0.908 1039 L HN 0.784 nan 8.230 nan 0.000 0.437 1040 N N -0.254 118.383 118.700 -0.106 0.000 2.149 1040 N HA -0.172 4.500 4.740 -0.113 0.000 0.188 1040 N C 1.746 177.224 175.510 -0.053 0.000 1.019 1040 N CA 1.572 54.584 53.050 -0.064 0.000 0.857 1040 N CB -0.106 38.361 38.487 -0.032 0.000 0.997 1040 N HN 0.444 nan 8.380 nan 0.000 0.426 1041 A N -0.200 122.596 122.820 -0.041 0.000 1.970 1041 A HA 0.277 4.529 4.320 -0.113 0.000 0.216 1041 A C 2.263 179.831 177.584 -0.027 0.000 1.170 1041 A CA 1.349 53.375 52.037 -0.018 0.000 0.645 1041 A CB -0.852 18.153 19.000 0.008 0.000 0.816 1041 A HN 0.384 nan 8.150 nan 0.000 0.447 1042 A N 0.106 122.876 122.820 -0.082 0.000 1.930 1042 A HA -0.118 4.134 4.320 -0.113 0.000 0.217 1042 A C 2.109 179.648 177.584 -0.075 0.000 1.175 1042 A CA 1.704 53.681 52.037 -0.102 0.000 0.627 1042 A CB -0.331 18.451 19.000 -0.364 0.000 0.815 1042 A HN 0.505 nan 8.150 nan 0.000 0.443 1043 K N -0.659 119.684 120.400 -0.095 0.000 2.062 1043 K HA -0.060 4.192 4.320 -0.113 0.000 0.205 1043 K C 2.421 179.007 176.600 -0.023 0.000 1.051 1043 K CA 1.189 57.443 56.287 -0.056 0.000 0.941 1043 K CB -0.229 32.232 32.500 -0.065 0.000 0.719 1043 K HN 0.420 nan 8.250 nan 0.000 0.440 1044 S N 1.063 116.750 115.700 -0.022 0.000 2.383 1044 S HA -0.158 4.245 4.470 -0.113 0.000 0.229 1044 S C 1.815 176.421 174.600 0.009 0.000 1.030 1044 S CA 1.292 59.488 58.200 -0.006 0.000 1.002 1044 S CB -0.067 63.129 63.200 -0.008 0.000 0.829 1044 S HN 0.194 nan 8.310 nan 0.000 0.467 1045 E N 0.540 120.751 120.200 0.017 0.000 2.107 1045 E HA -0.031 4.251 4.350 -0.113 0.000 0.191 1045 E C 2.019 178.657 176.600 0.064 0.000 0.982 1045 E CA 0.577 57.004 56.400 0.044 0.000 0.809 1045 E CB -0.465 29.268 29.700 0.054 0.000 0.756 1045 E HN 0.453 nan 8.360 nan 0.000 0.459 1046 L N 1.708 122.962 121.223 0.052 0.000 2.044 1046 L HA -0.124 4.148 4.340 -0.113 0.000 0.205 1046 L C 1.676 178.564 176.870 0.029 0.000 1.075 1046 L CA 1.757 56.629 54.840 0.052 0.000 0.747 1046 L CB -0.424 41.659 42.059 0.040 0.000 0.903 1046 L HN -0.060 nan 8.230 nan 0.000 0.435 1047 D N -0.172 120.238 120.400 0.016 0.000 2.133 1047 D HA -0.235 4.337 4.640 -0.113 0.000 0.195 1047 D C 2.056 178.363 176.300 0.012 0.000 0.997 1047 D CA 1.550 55.555 54.000 0.009 0.000 0.840 1047 D CB 0.048 40.850 40.800 0.003 0.000 0.947 1047 D HN 0.366 nan 8.370 nan 0.000 0.452 1048 K N 0.358 120.768 120.400 0.017 0.000 2.296 1048 K HA 0.088 4.340 4.320 -0.113 0.000 0.200 1048 K C 2.006 178.618 176.600 0.021 0.000 1.048 1048 K CA 0.535 56.832 56.287 0.017 0.000 0.966 1048 K CB 0.170 32.681 32.500 0.019 0.000 0.754 1048 K HN -0.004 nan 8.250 nan 0.000 0.466 1049 A N 1.603 124.440 122.820 0.028 0.000 1.898 1049 A HA -0.098 4.154 4.320 -0.113 0.000 0.216 1049 A C 1.795 179.378 177.584 -0.001 0.000 1.181 1049 A CA 1.249 53.298 52.037 0.020 0.000 0.620 1049 A CB -0.343 18.671 19.000 0.023 0.000 0.819 1049 A HN 0.365 nan 8.150 nan 0.000 0.442 1050 I N -4.731 115.839 120.570 0.000 0.000 3.936 1050 I HA 0.413 4.516 4.170 -0.113 0.000 0.330 1050 I C 1.171 177.288 176.117 0.001 0.000 1.509 1050 I CA 0.898 62.196 61.300 -0.003 0.000 1.126 1050 I CB -0.948 37.049 38.000 -0.005 0.000 1.115 1050 I HN 0.435 nan 8.210 nan 0.000 0.424 1051 G N 3.368 112.170 108.800 0.003 0.000 3.639 1051 G HA2 -0.408 3.484 3.960 -0.113 0.000 0.224 1051 G HA3 -0.408 3.484 3.960 -0.113 0.000 0.224 1051 G C 0.719 175.621 174.900 0.002 0.000 1.339 1051 G CA 0.737 45.839 45.100 0.003 0.000 0.933 1051 G HN 0.794 nan 8.290 nan 0.000 0.568 1052 R N 1.482 121.983 120.500 0.001 0.000 2.774 1052 R HA 0.417 4.689 4.340 -0.113 0.000 0.269 1052 R C 0.402 176.703 176.300 0.001 0.000 1.068 1052 R CA 0.057 56.157 56.100 0.001 0.000 1.180 1052 R CB 0.243 30.543 30.300 -0.000 0.000 1.077 1052 R HN 0.339 nan 8.270 nan 0.000 0.513 1053 N N 0.320 119.020 118.700 -0.000 0.000 2.483 1053 N HA -0.056 4.616 4.740 -0.113 0.000 0.264 1053 N C 0.193 175.703 175.510 -0.000 0.000 1.197 1053 N CA 0.619 53.669 53.050 -0.001 0.000 0.927 1053 N CB 1.175 39.661 38.487 -0.002 0.000 1.065 1053 N HN 0.810 nan 8.380 nan 0.000 0.461 1054 T N 0.457 115.010 114.554 -0.001 0.000 3.056 1054 T HA 0.016 4.298 4.350 -0.113 0.000 0.241 1054 T C 0.963 175.662 174.700 -0.002 0.000 1.006 1054 T CA 0.296 62.397 62.100 0.001 0.000 1.115 1054 T CB -0.067 68.804 68.868 0.005 0.000 0.939 1054 T HN 0.676 nan 8.240 nan 0.000 0.462 1055 N N 0.990 119.686 118.700 -0.008 0.000 2.782 1055 N HA -0.152 4.520 4.740 -0.113 0.000 0.251 1055 N C 0.979 176.481 175.510 -0.014 0.000 1.101 1055 N CA 1.636 54.679 53.050 -0.011 0.000 0.764 1055 N CB -1.515 36.968 38.487 -0.007 0.000 1.122 1055 N HN 1.311 nan 8.380 nan 0.000 0.561 1056 G N -2.847 105.944 108.800 -0.014 0.000 2.195 1056 G HA2 -0.202 3.690 3.960 -0.113 0.000 0.246 1056 G HA3 -0.202 3.690 3.960 -0.113 0.000 0.246 1056 G C 0.085 174.989 174.900 0.006 0.000 0.984 1056 G CA 0.449 45.541 45.100 -0.013 0.000 0.633 1056 G HN 1.121 nan 8.290 nan 0.000 0.525 1057 V N 1.667 121.586 119.914 0.009 0.000 2.715 1057 V HA 0.873 4.925 4.120 -0.113 0.000 0.310 1057 V C 0.136 176.240 176.094 0.017 0.000 1.054 1057 V CA -0.305 62.005 62.300 0.016 0.000 0.928 1057 V CB 1.736 33.566 31.823 0.012 0.000 1.007 1057 V HN 0.898 nan 8.190 nan 0.000 0.437 1058 I N 2.048 122.632 120.570 0.023 0.000 3.174 1058 I HA 0.778 4.881 4.170 -0.113 0.000 0.313 1058 I C -0.272 175.859 176.117 0.023 0.000 1.155 1058 I CA -0.558 60.756 61.300 0.023 0.000 0.977 1058 I CB 2.373 40.391 38.000 0.030 0.000 1.248 1058 I HN 0.483 nan 8.210 nan 0.000 0.453 1059 T N 0.435 115.001 114.554 0.020 0.000 2.943 1059 T HA 0.291 4.573 4.350 -0.113 0.000 0.284 1059 T C 0.762 175.479 174.700 0.028 0.000 1.015 1059 T CA -0.747 61.363 62.100 0.018 0.000 1.042 1059 T CB 1.965 70.837 68.868 0.007 0.000 1.055 1059 T HN 0.744 nan 8.240 nan 0.000 0.500 1060 K N 0.581 121.000 120.400 0.032 0.000 2.063 1060 K HA -0.208 4.044 4.320 -0.113 0.000 0.208 1060 K C 1.542 178.150 176.600 0.013 0.000 1.048 1060 K CA 1.811 58.132 56.287 0.058 0.000 0.928 1060 K CB -0.156 32.377 32.500 0.054 0.000 0.713 1060 K HN 0.585 nan 8.250 nan 0.000 0.442 1061 D N 0.553 120.936 120.400 -0.029 0.000 2.149 1061 D HA -0.142 4.430 4.640 -0.113 0.000 0.201 1061 D C 1.729 178.000 176.300 -0.047 0.000 0.972 1061 D CA 1.019 54.976 54.000 -0.071 0.000 0.835 1061 D CB 0.127 40.893 40.800 -0.055 0.000 0.966 1061 D HN 0.330 nan 8.370 nan 0.000 0.476 1062 E N -0.673 119.520 120.200 -0.012 0.000 2.208 1062 E HA -0.078 4.204 4.350 -0.113 0.000 0.193 1062 E C 1.873 178.486 176.600 0.023 0.000 0.988 1062 E CA 0.734 57.135 56.400 0.001 0.000 0.828 1062 E CB -0.020 29.684 29.700 0.006 0.000 0.763 1062 E HN 0.279 nan 8.360 nan 0.000 0.478 1063 A N 1.006 123.858 122.820 0.053 0.000 1.969 1063 A HA -0.187 4.065 4.320 -0.113 0.000 0.218 1063 A C 1.832 179.525 177.584 0.182 0.000 1.169 1063 A CA 1.217 53.323 52.037 0.114 0.000 0.635 1063 A CB -0.331 18.763 19.000 0.157 0.000 0.810 1063 A HN 0.262 nan 8.150 nan 0.000 0.445 1064 E N -0.276 119.981 120.200 0.095 0.000 2.077 1064 E HA -0.224 4.058 4.350 -0.113 0.000 0.193 1064 E C 2.022 178.689 176.600 0.111 0.000 0.989 1064 E CA 1.356 57.782 56.400 0.042 0.000 0.800 1064 E CB -0.160 29.386 29.700 -0.256 0.000 0.746 1064 E HN 0.654 nan 8.360 nan 0.000 0.452 1065 K N 0.991 121.418 120.400 0.045 0.000 2.063 1065 K HA -0.137 4.115 4.320 -0.113 0.000 0.208 1065 K C 2.176 178.797 176.600 0.035 0.000 1.048 1065 K CA 0.861 57.165 56.287 0.028 0.000 0.928 1065 K CB -0.063 32.440 32.500 0.004 0.000 0.713 1065 K HN 0.087 nan 8.250 nan 0.000 0.442 1066 L N -0.070 121.174 121.223 0.035 0.000 2.109 1066 L HA -0.122 4.150 4.340 -0.113 0.000 0.207 1066 L C 2.175 179.077 176.870 0.053 0.000 1.086 1066 L CA 0.788 55.608 54.840 -0.032 0.000 0.760 1066 L CB -0.201 41.789 42.059 -0.114 0.000 0.910 1066 L HN 0.221 nan 8.230 nan 0.000 0.437 1067 F N 0.961 120.922 119.950 0.019 0.000 2.146 1067 F HA -0.195 4.263 4.527 -0.115 0.000 0.298 1067 F C 2.217 178.069 175.800 0.087 0.000 1.096 1067 F CA 1.528 59.567 58.000 0.065 0.000 1.275 1067 F CB -0.260 38.816 39.000 0.126 0.000 1.008 1067 F HN 0.126 nan 8.300 nan 0.000 0.480 1068 N N 0.440 119.176 118.700 0.061 0.000 2.166 1068 N HA -0.183 4.489 4.740 -0.113 0.000 0.186 1068 N C 1.806 177.288 175.510 -0.047 0.000 1.019 1068 N CA 1.457 54.494 53.050 -0.023 0.000 0.856 1068 N CB -0.576 37.933 38.487 0.037 0.000 0.993 1068 N HN 0.477 nan 8.380 nan 0.000 0.426 1069 Q N 0.140 119.930 119.800 -0.017 0.000 2.084 1069 Q HA -0.106 4.166 4.340 -0.113 0.000 0.202 1069 Q C 0.950 176.949 176.000 -0.001 0.000 0.978 1069 Q CA 1.119 56.916 55.803 -0.009 0.000 0.844 1069 Q CB 0.029 28.761 28.738 -0.009 0.000 0.898 1069 Q HN 0.380 nan 8.270 nan 0.000 0.426 1070 D N -0.475 119.936 120.400 0.018 0.000 2.149 1070 D HA -0.100 4.472 4.640 -0.113 0.000 0.201 1070 D C 1.929 178.293 176.300 0.106 0.000 0.972 1070 D CA 0.833 54.908 54.000 0.125 0.000 0.835 1070 D CB 0.094 41.089 40.800 0.326 0.000 0.966 1070 D HN 0.065 nan 8.370 nan 0.000 0.476 1071 V N 1.573 121.461 119.914 -0.043 0.000 2.283 1071 V HA -0.166 3.886 4.120 -0.113 0.000 0.243 1071 V C 1.998 178.065 176.094 -0.045 0.000 1.039 1071 V CA 1.493 63.772 62.300 -0.035 0.000 1.016 1071 V CB -0.345 31.350 31.823 -0.213 0.000 0.650 1071 V HN 0.078 nan 8.190 nan 0.000 0.449 1072 D N 0.548 120.921 120.400 -0.046 0.000 2.149 1072 D HA -0.153 4.419 4.640 -0.113 0.000 0.198 1072 D C 2.165 178.433 176.300 -0.053 0.000 0.990 1072 D CA 1.706 55.686 54.000 -0.033 0.000 0.839 1072 D CB -0.047 40.745 40.800 -0.014 0.000 0.948 1072 D HN 0.459 nan 8.370 nan 0.000 0.460 1073 A N 0.959 123.744 122.820 -0.058 0.000 1.968 1073 A HA 0.070 4.322 4.320 -0.113 0.000 0.217 1073 A C 2.292 179.802 177.584 -0.124 0.000 1.169 1073 A CA 1.611 53.606 52.037 -0.071 0.000 0.638 1073 A CB -0.300 18.671 19.000 -0.048 0.000 0.812 1073 A HN 0.230 nan 8.150 nan 0.000 0.446 1074 A N -0.553 122.162 122.820 -0.176 0.000 1.929 1074 A HA 0.083 4.335 4.320 -0.113 0.000 0.216 1074 A C 2.141 179.589 177.584 -0.227 0.000 1.176 1074 A CA 1.543 53.425 52.037 -0.257 0.000 0.628 1074 A CB -0.704 18.051 19.000 -0.408 0.000 0.816 1074 A HN 0.334 nan 8.150 nan 0.000 0.444 1075 V N 0.146 119.936 119.914 -0.208 0.000 2.427 1075 V HA -0.190 3.862 4.120 -0.113 0.000 0.248 1075 V C 2.591 178.550 176.094 -0.225 0.000 1.051 1075 V CA 1.744 63.863 62.300 -0.302 0.000 1.048 1075 V CB -0.775 30.921 31.823 -0.211 0.000 0.666 1075 V HN 0.456 nan 8.190 nan 0.000 0.456 1076 R N 0.246 120.666 120.500 -0.134 0.000 2.152 1076 R HA -0.089 4.183 4.340 -0.113 0.000 0.232 1076 R C 2.334 178.575 176.300 -0.098 0.000 1.117 1076 R CA 1.376 57.422 56.100 -0.091 0.000 0.981 1076 R CB -0.712 29.552 30.300 -0.061 0.000 0.870 1076 R HN 0.601 nan 8.270 nan 0.000 0.451 1077 G N 0.898 109.623 108.800 -0.126 0.000 2.404 1077 G HA2 -0.167 3.725 3.960 -0.113 0.000 0.213 1077 G HA3 -0.167 3.725 3.960 -0.113 0.000 0.213 1077 G C 1.543 176.372 174.900 -0.118 0.000 1.189 1077 G CA 0.141 45.172 45.100 -0.115 0.000 0.796 1077 G HN 0.143 nan 8.290 nan 0.000 0.532 1078 I N 0.691 121.158 120.570 -0.171 0.000 2.163 1078 I HA -0.137 3.965 4.170 -0.113 0.000 0.243 1078 I C 2.391 178.433 176.117 -0.125 0.000 1.085 1078 I CA 0.883 62.077 61.300 -0.176 0.000 1.347 1078 I CB -0.172 37.632 38.000 -0.326 0.000 1.044 1078 I HN 0.070 nan 8.210 nan 0.000 0.408 1079 L N 0.070 121.210 121.223 -0.138 0.000 2.622 1079 L HA -0.084 4.188 4.340 -0.113 0.000 0.233 1079 L C 1.417 178.271 176.870 -0.027 0.000 1.156 1079 L CA 0.544 55.352 54.840 -0.053 0.000 0.866 1079 L CB -0.323 41.716 42.059 -0.032 0.000 0.980 1079 L HN 0.152 nan 8.230 nan 0.000 0.448 1080 R N -0.516 119.959 120.500 -0.041 0.000 2.596 1080 R HA 0.197 4.469 4.340 -0.113 0.000 0.369 1080 R C -0.149 176.136 176.300 -0.026 0.000 1.042 1080 R CA -0.036 56.047 56.100 -0.027 0.000 1.120 1080 R CB 0.109 30.390 30.300 -0.032 0.000 1.353 1080 R HN 0.038 nan 8.270 nan 0.000 0.564 1081 N N -0.176 118.509 118.700 -0.025 0.000 2.399 1081 N HA 0.195 4.867 4.740 -0.113 0.000 0.280 1081 N C 0.307 175.815 175.510 -0.003 0.000 1.008 1081 N CA 0.047 53.086 53.050 -0.019 0.000 0.894 1081 N CB 1.892 40.361 38.487 -0.029 0.000 1.273 1081 N HN 0.084 nan 8.380 nan 0.000 0.486 1082 A N 4.164 126.984 122.820 0.000 0.000 1.978 1082 A HA -0.131 4.121 4.320 -0.113 0.000 0.220 1082 A C 1.829 179.421 177.584 0.014 0.000 1.170 1082 A CA 1.435 53.477 52.037 0.008 0.000 0.636 1082 A CB -0.031 18.971 19.000 0.004 0.000 0.810 1082 A HN 0.763 nan 8.150 nan 0.000 0.448 1083 K N -0.942 119.465 120.400 0.012 0.000 2.211 1083 K HA 0.218 4.470 4.320 -0.113 0.000 0.201 1083 K C 1.538 178.156 176.600 0.031 0.000 1.052 1083 K CA 0.805 57.103 56.287 0.018 0.000 0.973 1083 K CB -0.075 32.432 32.500 0.012 0.000 0.766 1083 K HN 0.443 nan 8.250 nan 0.000 0.466 1084 L N 0.482 121.723 121.223 0.031 0.000 2.357 1084 L HA 0.076 4.348 4.340 -0.113 0.000 0.211 1084 L C 2.335 179.255 176.870 0.082 0.000 1.075 1084 L CA 0.394 55.264 54.840 0.050 0.000 0.830 1084 L CB -0.127 41.947 42.059 0.024 0.000 0.996 1084 L HN 0.019 nan 8.230 nan 0.000 0.467 1085 K N 1.035 121.472 120.400 0.063 0.000 2.032 1085 K HA -0.172 4.080 4.320 -0.113 0.000 0.209 1085 K C -0.608 176.065 176.600 0.121 0.000 1.048 1085 K CA 1.696 58.039 56.287 0.093 0.000 0.927 1085 K CB -0.701 31.833 32.500 0.057 0.000 0.712 1085 K HN 0.175 nan 8.250 nan 0.000 0.441 1086 P HA -0.082 nan 4.420 nan 0.000 0.221 1086 P C 1.256 178.607 177.300 0.086 0.000 1.150 1086 P CA 0.791 63.936 63.100 0.075 0.000 0.800 1086 P CB 0.125 31.854 31.700 0.049 0.000 0.787 1087 V N -1.317 118.658 119.914 0.102 0.000 2.323 1087 V HA -0.235 3.818 4.120 -0.113 0.000 0.244 1087 V C 2.340 178.527 176.094 0.155 0.000 1.041 1087 V CA 1.532 63.897 62.300 0.108 0.000 1.025 1087 V CB -1.471 30.407 31.823 0.092 0.000 0.656 1087 V HN 0.014 nan 8.190 nan 0.000 0.451 1088 Y N 1.462 121.801 120.300 0.063 0.000 2.181 1088 Y HA -0.218 4.264 4.550 -0.114 0.000 0.288 1088 Y C 2.414 178.357 175.900 0.072 0.000 1.146 1088 Y CA 1.926 60.071 58.100 0.074 0.000 1.164 1088 Y CB -0.319 38.177 38.460 0.060 0.000 0.982 1088 Y HN 0.294 nan 8.280 nan 0.000 0.515 1089 D N -0.703 119.756 120.400 0.098 0.000 2.144 1089 D HA -0.170 4.402 4.640 -0.113 0.000 0.199 1089 D C 2.364 178.656 176.300 -0.014 0.000 0.984 1089 D CA 1.751 55.763 54.000 0.020 0.000 0.834 1089 D CB -0.376 40.474 40.800 0.084 0.000 0.955 1089 D HN 0.513 nan 8.370 nan 0.000 0.465 1090 S N -0.187 115.528 115.700 0.026 0.000 2.453 1090 S HA -0.028 4.374 4.470 -0.113 0.000 0.231 1090 S C 1.187 175.824 174.600 0.061 0.000 1.005 1090 S CA 0.037 58.265 58.200 0.046 0.000 0.949 1090 S CB -0.227 63.011 63.200 0.062 0.000 0.774 1090 S HN 0.088 nan 8.310 nan 0.000 0.510 1091 L N 2.681 123.920 121.223 0.026 0.000 2.418 1091 L HA 0.378 4.651 4.340 -0.113 0.000 0.265 1091 L C 0.158 176.996 176.870 -0.053 0.000 1.143 1091 L CA -0.806 54.055 54.840 0.036 0.000 0.809 1091 L CB 0.591 42.685 42.059 0.058 0.000 1.124 1091 L HN 0.362 nan 8.230 nan 0.000 0.456 1092 D N 0.792 121.169 120.400 -0.039 0.000 2.383 1092 D HA 0.312 4.884 4.640 -0.113 0.000 0.248 1092 D C 0.964 177.210 176.300 -0.090 0.000 1.170 1092 D CA -0.094 53.868 54.000 -0.064 0.000 0.977 1092 D CB 0.967 41.726 40.800 -0.068 0.000 1.120 1092 D HN 0.539 nan 8.370 nan 0.000 0.481 1093 A N 0.598 123.385 122.820 -0.055 0.000 1.915 1093 A HA -0.233 4.019 4.320 -0.113 0.000 0.220 1093 A C 2.120 179.697 177.584 -0.012 0.000 1.198 1093 A CA 2.187 54.220 52.037 -0.007 0.000 0.647 1093 A CB -1.254 17.774 19.000 0.046 0.000 0.825 1093 A HN 0.462 nan 8.150 nan 0.000 0.456 1094 V N -0.466 119.366 119.914 -0.137 0.000 2.323 1094 V HA -0.217 3.835 4.120 -0.113 0.000 0.244 1094 V C 2.565 178.410 176.094 -0.415 0.000 1.041 1094 V CA 2.129 64.172 62.300 -0.428 0.000 1.025 1094 V CB -0.813 30.575 31.823 -0.724 0.000 0.656 1094 V HN 0.517 nan 8.190 nan 0.000 0.451 1095 R N -0.422 119.905 120.500 -0.289 0.000 2.148 1095 R HA -0.056 4.216 4.340 -0.113 0.000 0.227 1095 R C 2.514 178.824 176.300 0.017 0.000 1.103 1095 R CA 0.948 56.951 56.100 -0.162 0.000 0.983 1095 R CB -0.243 29.992 30.300 -0.108 0.000 0.874 1095 R HN 0.467 nan 8.270 nan 0.000 0.451 1096 R N 0.187 120.687 120.500 -0.001 0.000 2.075 1096 R HA -0.028 4.244 4.340 -0.113 0.000 0.232 1096 R C 2.275 178.698 176.300 0.205 0.000 1.126 1096 R CA 1.314 57.468 56.100 0.090 0.000 0.963 1096 R CB -0.225 30.021 30.300 -0.091 0.000 0.858 1096 R HN 0.161 nan 8.270 nan 0.000 0.435 1097 A N 0.895 123.793 122.820 0.130 0.000 1.972 1097 A HA -0.107 4.146 4.320 -0.113 0.000 0.219 1097 A C 2.263 179.910 177.584 0.104 0.000 1.169 1097 A CA 1.667 53.812 52.037 0.181 0.000 0.635 1097 A CB -0.489 18.693 19.000 0.303 0.000 0.810 1097 A HN 0.415 nan 8.150 nan 0.000 0.446 1098 A N -0.839 121.938 122.820 -0.072 0.000 1.929 1098 A HA 0.061 4.313 4.320 -0.113 0.000 0.216 1098 A C 2.085 179.657 177.584 -0.019 0.000 1.176 1098 A CA 1.488 53.379 52.037 -0.243 0.000 0.628 1098 A CB -0.468 18.005 19.000 -0.879 0.000 0.816 1098 A HN 0.467 nan 8.150 nan 0.000 0.444 1099 L N -0.280 121.068 121.223 0.209 0.000 2.056 1099 L HA -0.053 4.219 4.340 -0.113 0.000 0.207 1099 L C 2.271 179.273 176.870 0.221 0.000 1.078 1099 L CA 1.383 56.427 54.840 0.341 0.000 0.749 1099 L CB -0.289 42.003 42.059 0.388 0.000 0.901 1099 L HN 0.419 nan 8.230 nan 0.000 0.433 1100 I N -0.539 120.168 120.570 0.228 0.000 2.179 1100 I HA -0.324 3.778 4.170 -0.113 0.000 0.242 1100 I C 2.386 178.710 176.117 0.345 0.000 1.088 1100 I CA 1.414 62.855 61.300 0.235 0.000 1.357 1100 I CB -0.587 37.575 38.000 0.269 0.000 1.051 1100 I HN 0.421 nan 8.210 nan 0.000 0.409 1101 N N 1.280 120.155 118.700 0.293 0.000 2.094 1101 N HA -0.231 4.441 4.740 -0.113 0.000 0.191 1101 N C 1.963 177.632 175.510 0.266 0.000 1.023 1101 N CA 1.849 55.067 53.050 0.279 0.000 0.857 1101 N CB -0.098 38.493 38.487 0.174 0.000 1.013 1101 N HN 0.314 nan 8.380 nan 0.000 0.426 1102 M N 0.007 119.712 119.600 0.175 0.000 2.175 1102 M HA -0.109 4.303 4.480 -0.113 0.000 0.264 1102 M C 2.126 178.447 176.300 0.035 0.000 1.063 1102 M CA 0.935 56.262 55.300 0.046 0.000 1.119 1102 M CB 0.059 32.619 32.600 -0.066 0.000 1.377 1102 M HN -0.035 nan 8.290 nan 0.000 0.415 1103 V N -0.664 119.285 119.914 0.059 0.000 2.515 1103 V HA -0.223 3.829 4.120 -0.113 0.000 0.250 1103 V C 1.832 177.891 176.094 -0.058 0.000 1.058 1103 V CA 1.582 63.861 62.300 -0.034 0.000 1.064 1103 V CB -0.725 31.035 31.823 -0.105 0.000 0.675 1103 V HN 0.318 nan 8.190 nan 0.000 0.461 1104 F N -0.180 119.793 119.950 0.038 0.000 2.502 1104 F HA -0.083 4.376 4.527 -0.114 0.000 0.298 1104 F C 2.411 178.253 175.800 0.070 0.000 1.111 1104 F CA 1.527 59.563 58.000 0.059 0.000 1.445 1104 F CB -0.014 39.039 39.000 0.087 0.000 1.081 1104 F HN 0.159 nan 8.300 nan 0.000 0.558 1105 Q N -1.000 118.930 119.800 0.216 0.000 2.387 1105 Q HA 0.029 4.301 4.340 -0.113 0.000 0.208 1105 Q C 1.927 177.986 176.000 0.098 0.000 0.935 1105 Q CA 0.558 56.463 55.803 0.171 0.000 0.891 1105 Q CB 0.282 29.143 28.738 0.204 0.000 1.007 1105 Q HN 0.331 nan 8.270 nan 0.000 0.548 1106 M N -0.955 118.664 119.600 0.031 0.000 2.557 1106 M HA 0.246 4.658 4.480 -0.113 0.000 0.262 1106 M C 0.598 176.896 176.300 -0.002 0.000 1.168 1106 M CA 0.923 56.226 55.300 0.006 0.000 1.194 1106 M CB 1.272 33.850 32.600 -0.036 0.000 1.311 1106 M HN 0.273 nan 8.290 nan 0.000 0.489 1107 G N 0.159 108.944 108.800 -0.025 0.000 2.612 1107 G HA2 -0.153 3.739 3.960 -0.113 0.000 0.686 1107 G HA3 -0.153 3.739 3.960 -0.113 0.000 0.686 1107 G C -0.145 174.725 174.900 -0.049 0.000 1.274 1107 G CA -0.277 44.791 45.100 -0.053 0.000 0.849 1107 G HN 0.351 nan 8.290 nan 0.000 0.595 1108 E N -0.502 119.660 120.200 -0.063 0.000 2.055 1108 E HA -0.281 4.001 4.350 -0.113 0.000 0.209 1108 E C 2.908 179.489 176.600 -0.032 0.000 1.036 1108 E CA 3.048 59.418 56.400 -0.050 0.000 0.849 1108 E CB -0.305 29.360 29.700 -0.059 0.000 0.767 1108 E HN 0.898 nan 8.360 nan 0.000 0.461 1109 T N -1.536 112.996 114.554 -0.036 0.000 2.759 1109 T HA -0.161 4.121 4.350 -0.113 0.000 0.269 1109 T C 2.019 176.687 174.700 -0.052 0.000 1.042 1109 T CA 1.310 63.386 62.100 -0.039 0.000 1.140 1109 T CB -0.904 67.941 68.868 -0.037 0.000 0.864 1109 T HN 0.267 nan 8.240 nan 0.000 0.455 1110 G N 1.067 109.840 108.800 -0.045 0.000 2.404 1110 G HA2 -0.097 3.796 3.960 -0.113 0.000 0.215 1110 G HA3 -0.097 3.796 3.960 -0.113 0.000 0.215 1110 G C 1.677 176.560 174.900 -0.028 0.000 1.174 1110 G CA 0.946 46.009 45.100 -0.062 0.000 0.780 1110 G HN 0.500 nan 8.290 nan 0.000 0.537 1111 V N 1.614 121.571 119.914 0.071 0.000 2.358 1111 V HA -0.053 3.999 4.120 -0.113 0.000 0.246 1111 V C 3.271 179.485 176.094 0.199 0.000 1.047 1111 V CA 1.772 64.199 62.300 0.213 0.000 1.035 1111 V CB -0.875 30.994 31.823 0.077 0.000 0.658 1111 V HN 0.441 nan 8.190 nan 0.000 0.452 1112 A N 0.712 123.567 122.820 0.059 0.000 2.125 1112 A HA -0.029 4.223 4.320 -0.113 0.000 0.219 1112 A C 2.299 179.879 177.584 -0.007 0.000 1.156 1112 A CA 1.551 53.606 52.037 0.030 0.000 0.671 1112 A CB -0.920 18.080 19.000 -0.000 0.000 0.794 1112 A HN 0.544 nan 8.150 nan 0.000 0.459 1113 G N -0.960 107.785 108.800 -0.092 0.000 2.421 1113 G HA2 -0.016 3.876 3.960 -0.113 0.000 0.217 1113 G HA3 -0.016 3.876 3.960 -0.113 0.000 0.217 1113 G C 0.585 175.353 174.900 -0.220 0.000 1.143 1113 G CA 0.216 45.188 45.100 -0.213 0.000 0.784 1113 G HN 0.450 nan 8.290 nan 0.000 0.541 1114 F N 2.893 122.830 119.950 -0.021 0.000 2.625 1114 F HA 0.136 4.596 4.527 -0.113 0.000 0.373 1114 F C 2.359 178.150 175.800 -0.015 0.000 1.158 1114 F CA 0.354 58.349 58.000 -0.009 0.000 1.354 1114 F CB -0.766 38.224 39.000 -0.016 0.000 1.692 1114 F HN 0.075 nan 8.300 nan 0.000 0.634 1115 T N -2.898 111.707 114.554 0.085 0.000 2.699 1115 T HA -0.290 3.992 4.350 -0.113 0.000 0.268 1115 T C 1.929 176.660 174.700 0.051 0.000 1.036 1115 T CA 1.806 63.936 62.100 0.050 0.000 1.147 1115 T CB -0.147 68.731 68.868 0.017 0.000 0.862 1115 T HN 0.281 nan 8.240 nan 0.000 0.446 1116 N N 1.150 119.888 118.700 0.064 0.000 2.270 1116 N HA 0.070 4.742 4.740 -0.113 0.000 0.181 1116 N C 2.242 177.778 175.510 0.044 0.000 1.016 1116 N CA 1.219 54.297 53.050 0.048 0.000 0.870 1116 N CB -0.460 38.059 38.487 0.053 0.000 0.979 1116 N HN 0.479 nan 8.380 nan 0.000 0.431 1117 S N 1.036 116.783 115.700 0.078 0.000 2.371 1117 S HA 0.103 4.505 4.470 -0.113 0.000 0.224 1117 S C 2.071 176.649 174.600 -0.037 0.000 1.029 1117 S CA 0.427 58.640 58.200 0.022 0.000 0.978 1117 S CB -0.171 63.048 63.200 0.031 0.000 0.833 1117 S HN 0.218 nan 8.310 nan 0.000 0.466 1118 L N 1.387 122.610 121.223 0.000 0.000 2.191 1118 L HA -0.097 4.175 4.340 -0.113 0.000 0.212 1118 L C 2.679 179.539 176.870 -0.018 0.000 1.103 1118 L CA 0.992 55.822 54.840 -0.016 0.000 0.769 1118 L CB -0.454 41.622 42.059 0.028 0.000 0.908 1118 L HN 0.268 nan 8.230 nan 0.000 0.438 1119 R N 1.145 121.636 120.500 -0.014 0.000 2.070 1119 R HA -0.184 4.088 4.340 -0.113 0.000 0.232 1119 R C 2.388 178.656 176.300 -0.054 0.000 1.138 1119 R CA 1.996 58.082 56.100 -0.024 0.000 0.936 1119 R CB -0.200 30.090 30.300 -0.016 0.000 0.839 1119 R HN 0.349 nan 8.270 nan 0.000 0.429 1120 M N 0.257 119.816 119.600 -0.068 0.000 2.296 1120 M HA -0.063 4.349 4.480 -0.113 0.000 0.265 1120 M C 2.123 178.331 176.300 -0.152 0.000 1.064 1120 M CA 1.382 56.613 55.300 -0.115 0.000 1.109 1120 M CB -0.451 32.092 32.600 -0.095 0.000 1.396 1120 M HN 0.126 nan 8.290 nan 0.000 0.430 1121 L N 1.229 122.405 121.223 -0.078 0.000 2.093 1121 L HA -0.188 4.084 4.340 -0.113 0.000 0.208 1121 L C 2.745 179.646 176.870 0.053 0.000 1.085 1121 L CA 1.534 56.392 54.840 0.030 0.000 0.755 1121 L CB -0.728 41.291 42.059 -0.067 0.000 0.904 1121 L HN 0.509 nan 8.230 nan 0.000 0.435 1122 Q N -0.709 119.085 119.800 -0.010 0.000 2.360 1122 Q HA -0.056 4.216 4.340 -0.113 0.000 0.202 1122 Q C 1.368 177.329 176.000 -0.064 0.000 0.915 1122 Q CA 0.354 56.158 55.803 0.001 0.000 0.943 1122 Q CB 0.209 28.958 28.738 0.019 0.000 1.064 1122 Q HN 0.498 nan 8.270 nan 0.000 0.511 1123 Q N 0.212 119.920 119.800 -0.154 0.000 2.194 1123 Q HA 0.148 4.420 4.340 -0.113 0.000 0.214 1123 Q C -0.537 175.254 176.000 -0.350 0.000 0.838 1123 Q CA -0.244 55.444 55.803 -0.192 0.000 0.972 1123 Q CB 0.688 29.333 28.738 -0.155 0.000 1.131 1123 Q HN 0.193 nan 8.270 nan 0.000 0.498 1124 K N -0.128 119.904 120.400 -0.613 0.000 3.274 1124 K HA -0.199 4.053 4.320 -0.113 0.000 0.300 1124 K C -0.420 175.347 176.600 -1.389 0.000 1.230 1124 K CA 0.586 56.167 56.287 -1.177 0.000 0.884 1124 K CB -0.895 31.315 32.500 -0.484 0.000 1.242 1124 K HN -0.001 nan 8.250 nan 0.000 0.467 1125 R N 0.112 120.054 120.500 -0.930 0.000 2.522 1125 R HA 0.251 4.523 4.340 -0.113 0.000 0.290 1125 R C 0.252 176.315 176.300 -0.394 0.000 1.216 1125 R CA -0.282 55.481 56.100 -0.562 0.000 1.250 1125 R CB -0.222 29.908 30.300 -0.283 0.000 1.143 1125 R HN 0.295 nan 8.270 nan 0.000 0.553 1126 W N 0.567 121.868 121.300 0.001 0.000 2.408 1126 W HA -0.061 4.532 4.660 -0.112 0.000 0.311 1126 W C 1.545 178.071 176.519 0.010 0.000 1.190 1126 W CA 0.398 57.751 57.345 0.013 0.000 1.321 1126 W CB -0.104 29.378 29.460 0.035 0.000 1.143 1126 W HN 0.427 nan 8.180 nan 0.000 0.501 1127 D N 0.488 121.006 120.400 0.196 0.000 2.218 1127 D HA -0.199 4.373 4.640 -0.113 0.000 0.204 1127 D C 1.873 178.205 176.300 0.054 0.000 0.976 1127 D CA 1.327 55.393 54.000 0.111 0.000 0.853 1127 D CB -0.100 40.748 40.800 0.080 0.000 0.939 1127 D HN 0.230 nan 8.370 nan 0.000 0.481 1128 E N -0.886 119.327 120.200 0.021 0.000 2.076 1128 E HA -0.052 4.230 4.350 -0.113 0.000 0.190 1128 E C 1.941 178.545 176.600 0.006 0.000 0.979 1128 E CA 0.692 57.090 56.400 -0.004 0.000 0.807 1128 E CB 0.008 29.685 29.700 -0.038 0.000 0.761 1128 E HN 0.270 nan 8.360 nan 0.000 0.454 1129 A N 1.196 124.027 122.820 0.019 0.000 1.898 1129 A HA -0.045 4.207 4.320 -0.113 0.000 0.216 1129 A C 2.356 179.960 177.584 0.034 0.000 1.181 1129 A CA 1.542 53.587 52.037 0.013 0.000 0.620 1129 A CB -0.664 18.337 19.000 0.001 0.000 0.819 1129 A HN 0.357 nan 8.150 nan 0.000 0.442 1130 A N 0.112 122.978 122.820 0.077 0.000 1.883 1130 A HA -0.073 4.179 4.320 -0.113 0.000 0.217 1130 A C 2.342 179.920 177.584 -0.010 0.000 1.186 1130 A CA 2.517 54.596 52.037 0.070 0.000 0.624 1130 A CB -1.341 17.715 19.000 0.094 0.000 0.822 1130 A HN 1.168 nan 8.150 nan 0.000 0.444 1131 V N -1.374 118.532 119.914 -0.014 0.000 2.515 1131 V HA -0.192 3.860 4.120 -0.113 0.000 0.250 1131 V C 1.981 178.050 176.094 -0.042 0.000 1.058 1131 V CA 2.567 64.839 62.300 -0.047 0.000 1.064 1131 V CB -1.336 30.471 31.823 -0.027 0.000 0.675 1131 V HN 0.557 nan 8.190 nan 0.000 0.461 1132 N N 0.532 119.229 118.700 -0.005 0.000 2.216 1132 N HA -0.016 4.656 4.740 -0.113 0.000 0.183 1132 N C 1.646 177.188 175.510 0.052 0.000 1.017 1132 N CA 1.555 54.620 53.050 0.024 0.000 0.861 1132 N CB -0.377 38.131 38.487 0.035 0.000 0.986 1132 N HN 0.545 nan 8.380 nan 0.000 0.428 1133 L N -0.320 120.928 121.223 0.041 0.000 2.156 1133 L HA 0.061 4.333 4.340 -0.113 0.000 0.208 1133 L C 2.092 178.969 176.870 0.012 0.000 1.095 1133 L CA 0.919 55.815 54.840 0.092 0.000 0.770 1133 L CB -0.327 41.807 42.059 0.125 0.000 0.914 1133 L HN 0.201 nan 8.230 nan 0.000 0.439 1134 A N -0.529 122.166 122.820 -0.210 0.000 2.209 1134 A HA -0.113 4.139 4.320 -0.113 0.000 0.212 1134 A C 2.108 179.551 177.584 -0.235 0.000 1.158 1134 A CA 1.005 52.676 52.037 -0.609 0.000 0.742 1134 A CB -0.242 18.309 19.000 -0.749 0.000 0.790 1134 A HN 0.325 nan 8.150 nan 0.000 0.472 1135 K N 0.580 120.962 120.400 -0.029 0.000 2.379 1135 K HA 0.055 4.307 4.320 -0.113 0.000 0.194 1135 K C 0.873 177.560 176.600 0.146 0.000 1.031 1135 K CA 0.490 56.812 56.287 0.058 0.000 1.037 1135 K CB 0.218 32.748 32.500 0.049 0.000 0.824 1135 K HN 0.575 nan 8.250 nan 0.000 0.516 1136 S N 0.525 116.364 115.700 0.232 0.000 2.608 1136 S HA 0.082 4.485 4.470 -0.113 0.000 0.261 1136 S C 1.113 175.900 174.600 0.310 0.000 1.314 1136 S CA -0.619 57.788 58.200 0.346 0.000 0.992 1136 S CB 1.595 65.172 63.200 0.628 0.000 0.935 1136 S HN 0.184 nan 8.310 nan 0.000 0.564 1137 R N -0.352 120.329 120.500 0.302 0.000 2.075 1137 R HA -0.113 4.159 4.340 -0.113 0.000 0.232 1137 R C 2.115 178.592 176.300 0.295 0.000 1.126 1137 R CA 1.596 57.838 56.100 0.236 0.000 0.963 1137 R CB -0.573 29.839 30.300 0.186 0.000 0.858 1137 R HN 0.887 nan 8.270 nan 0.000 0.435 1138 W N 0.795 122.235 121.300 0.233 0.000 2.338 1138 W HA -0.296 4.295 4.660 -0.114 0.000 0.304 1138 W C 1.825 178.454 176.519 0.182 0.000 1.212 1138 W CA 1.786 59.269 57.345 0.229 0.000 1.264 1138 W CB -0.888 28.784 29.460 0.353 0.000 1.142 1138 W HN 0.180 nan 8.180 nan 0.000 0.512 1139 Y N 2.550 122.730 120.300 -0.200 0.000 2.089 1139 Y HA -0.278 4.204 4.550 -0.114 0.000 0.282 1139 Y C 2.442 178.205 175.900 -0.229 0.000 1.139 1139 Y CA 2.953 60.799 58.100 -0.424 0.000 1.123 1139 Y CB -1.144 37.149 38.460 -0.279 0.000 0.980 1139 Y HN 0.239 nan 8.280 nan 0.000 0.493 1140 N N -0.709 117.934 118.700 -0.095 0.000 2.244 1140 N HA -0.185 4.487 4.740 -0.113 0.000 0.183 1140 N C 1.625 177.043 175.510 -0.153 0.000 1.016 1140 N CA 1.397 54.360 53.050 -0.146 0.000 0.866 1140 N CB -0.532 37.971 38.487 0.027 0.000 0.980 1140 N HN 0.353 nan 8.380 nan 0.000 0.430 1141 Q N -0.467 119.285 119.800 -0.081 0.000 2.172 1141 Q HA 0.078 4.350 4.340 -0.113 0.000 0.200 1141 Q C 0.178 176.127 176.000 -0.086 0.000 0.964 1141 Q CA 1.054 56.832 55.803 -0.041 0.000 0.855 1141 Q CB 0.236 29.001 28.738 0.045 0.000 0.918 1141 Q HN 0.373 nan 8.270 nan 0.000 0.444 1142 T N 0.547 115.000 114.554 -0.168 0.000 3.418 1142 T HA 0.248 4.530 4.350 -0.113 0.000 0.315 1142 T C -2.353 172.122 174.700 -0.376 0.000 1.447 1142 T CA -1.853 60.136 62.100 -0.186 0.000 1.641 1142 T CB 0.536 69.383 68.868 -0.035 0.000 0.904 1142 T HN 0.040 nan 8.240 nan 0.000 0.640 1143 P HA -0.097 nan 4.420 nan 0.000 0.215 1143 P C 1.097 178.151 177.300 -0.410 0.000 1.157 1143 P CA 1.278 63.983 63.100 -0.658 0.000 0.863 1143 P CB 0.259 31.614 31.700 -0.574 0.000 0.787 1144 N N -0.057 118.498 118.700 -0.242 0.000 2.036 1144 N HA -0.189 4.483 4.740 -0.113 0.000 0.195 1144 N C 2.136 177.571 175.510 -0.125 0.000 1.037 1144 N CA 1.446 54.403 53.050 -0.155 0.000 0.855 1144 N CB -0.623 37.796 38.487 -0.113 0.000 1.033 1144 N HN 0.100 nan 8.380 nan 0.000 0.423 1145 R N 0.517 120.964 120.500 -0.089 0.000 2.073 1145 R HA -0.014 4.258 4.340 -0.113 0.000 0.234 1145 R C 2.152 178.454 176.300 0.002 0.000 1.134 1145 R CA 1.378 57.481 56.100 0.005 0.000 0.952 1145 R CB -0.295 30.061 30.300 0.093 0.000 0.850 1145 R HN 0.266 nan 8.270 nan 0.000 0.433 1146 A N 1.033 123.747 122.820 -0.176 0.000 1.940 1146 A HA -0.213 4.039 4.320 -0.113 0.000 0.219 1146 A C 2.065 179.592 177.584 -0.096 0.000 1.176 1146 A CA 1.663 53.461 52.037 -0.399 0.000 0.631 1146 A CB -0.456 17.900 19.000 -1.074 0.000 0.814 1146 A HN 0.371 nan 8.150 nan 0.000 0.446 1147 K N -0.535 119.858 120.400 -0.013 0.000 2.026 1147 K HA -0.129 4.123 4.320 -0.113 0.000 0.208 1147 K C 2.324 178.927 176.600 0.004 0.000 1.048 1147 K CA 1.372 57.719 56.287 0.100 0.000 0.929 1147 K CB -0.159 32.380 32.500 0.064 0.000 0.713 1147 K HN 0.436 nan 8.250 nan 0.000 0.439 1148 R N -0.055 120.406 120.500 -0.064 0.000 2.092 1148 R HA -0.080 4.192 4.340 -0.113 0.000 0.231 1148 R C 2.221 178.521 176.300 0.000 0.000 1.119 1148 R CA 1.265 57.273 56.100 -0.153 0.000 0.970 1148 R CB -0.161 29.900 30.300 -0.398 0.000 0.864 1148 R HN 0.078 nan 8.270 nan 0.000 0.440 1149 V N 0.868 120.842 119.914 0.099 0.000 2.453 1149 V HA -0.180 3.872 4.120 -0.113 0.000 0.247 1149 V C 2.100 178.199 176.094 0.008 0.000 1.048 1149 V CA 1.321 63.676 62.300 0.092 0.000 1.049 1149 V CB -0.287 31.690 31.823 0.257 0.000 0.672 1149 V HN 0.164 nan 8.190 nan 0.000 0.457 1150 I N 0.406 121.062 120.570 0.142 0.000 2.226 1150 I HA -0.224 3.878 4.170 -0.113 0.000 0.245 1150 I C 2.508 178.694 176.117 0.114 0.000 1.100 1150 I CA 1.891 63.315 61.300 0.207 0.000 1.374 1150 I CB -0.495 37.571 38.000 0.110 0.000 1.057 1150 I HN 0.284 nan 8.210 nan 0.000 0.413 1151 T N -0.498 114.074 114.554 0.030 0.000 2.788 1151 T HA -0.156 4.126 4.350 -0.113 0.000 0.268 1151 T C 1.847 176.514 174.700 -0.055 0.000 1.044 1151 T CA 1.910 64.005 62.100 -0.007 0.000 1.139 1151 T CB -0.477 68.374 68.868 -0.029 0.000 0.867 1151 T HN 0.393 nan 8.240 nan 0.000 0.454 1152 T N 1.838 116.326 114.554 -0.110 0.000 2.708 1152 T HA -0.026 4.256 4.350 -0.113 0.000 0.266 1152 T C 1.572 176.091 174.700 -0.301 0.000 1.037 1152 T CA 1.026 62.967 62.100 -0.264 0.000 1.146 1152 T CB -0.490 68.174 68.868 -0.340 0.000 0.865 1152 T HN 0.275 nan 8.240 nan 0.000 0.435 1153 F N 1.313 121.194 119.950 -0.116 0.000 2.113 1153 F HA 0.119 4.578 4.527 -0.113 0.000 0.297 1153 F C 2.647 178.326 175.800 -0.202 0.000 1.103 1153 F CA 0.428 58.340 58.000 -0.146 0.000 1.248 1153 F CB -0.580 38.437 39.000 0.029 0.000 0.999 1153 F HN -0.046 nan 8.300 nan 0.000 0.475 1154 R N 0.347 120.923 120.500 0.128 0.000 2.091 1154 R HA -0.172 4.101 4.340 -0.113 0.000 0.238 1154 R C 2.051 178.323 176.300 -0.047 0.000 1.136 1154 R CA 2.290 58.455 56.100 0.109 0.000 0.959 1154 R CB -0.596 29.764 30.300 0.100 0.000 0.856 1154 R HN 0.476 nan 8.270 nan 0.000 0.437 1155 T N -4.944 109.526 114.554 -0.140 0.000 3.042 1155 T HA 0.200 4.482 4.350 -0.113 0.000 0.245 1155 T C 1.366 175.889 174.700 -0.296 0.000 1.029 1155 T CA 0.757 62.757 62.100 -0.167 0.000 1.120 1155 T CB 0.430 69.240 68.868 -0.097 0.000 0.917 1155 T HN 0.370 nan 8.240 nan 0.000 0.467 1156 G N 1.843 110.413 108.800 -0.384 0.000 2.143 1156 G HA2 -0.198 3.694 3.960 -0.113 0.000 0.249 1156 G HA3 -0.198 3.694 3.960 -0.113 0.000 0.249 1156 G C 0.229 174.895 174.900 -0.391 0.000 0.981 1156 G CA 0.554 45.387 45.100 -0.444 0.000 0.665 1156 G HN 1.203 nan 8.290 nan 0.000 0.528 1157 T N -4.014 110.343 114.554 -0.327 0.000 2.950 1157 T HA 0.563 4.845 4.350 -0.113 0.000 0.288 1157 T C 0.593 175.117 174.700 -0.292 0.000 1.035 1157 T CA -0.459 61.487 62.100 -0.256 0.000 1.028 1157 T CB 1.536 70.352 68.868 -0.086 0.000 1.109 1157 T HN 0.254 nan 8.240 nan 0.000 0.514 1158 W N 0.110 121.419 121.300 0.015 0.000 3.345 1158 W HA 0.195 4.787 4.660 -0.114 0.000 0.282 1158 W C 0.963 177.545 176.519 0.105 0.000 1.302 1158 W CA -0.504 56.883 57.345 0.069 0.000 1.724 1158 W CB -0.146 29.336 29.460 0.037 0.000 1.104 1158 W HN 0.757 nan 8.180 nan 0.000 0.694 1159 D N 0.871 121.389 120.400 0.198 0.000 2.191 1159 D HA -0.263 4.309 4.640 -0.113 0.000 0.195 1159 D C 2.199 178.548 176.300 0.081 0.000 1.003 1159 D CA 1.943 56.012 54.000 0.115 0.000 0.867 1159 D CB -0.581 40.246 40.800 0.046 0.000 0.926 1159 D HN 0.185 nan 8.370 nan 0.000 0.450 1160 A N -1.125 121.732 122.820 0.062 0.000 2.119 1160 A HA -0.029 4.223 4.320 -0.113 0.000 0.217 1160 A C 0.498 177.915 177.584 -0.279 0.000 1.153 1160 A CA 0.713 52.675 52.037 -0.126 0.000 0.692 1160 A CB -0.212 18.656 19.000 -0.220 0.000 0.799 1160 A HN 0.202 nan 8.150 nan 0.000 0.458 1161 Y N 0.000 120.361 120.300 0.101 0.000 2.660 1161 Y HA 0.000 4.483 4.550 -0.112 0.000 0.201 1161 Y CA 0.000 58.146 58.100 0.077 0.000 1.940 1161 Y CB 0.000 38.533 38.460 0.122 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758