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 1o5t_1_A DATA FIRST_RESID 94 DATA SEQUENCE SAKGIDYDKL IVRFGSSKID KELINRIERA TGQRPHHFLR RGIFFSHRDM DATA SEQUENCE NQVLDAYENK KPFYLYTGRG PSSEAMHVGH LIPFIFTKWL QDVFNVPLVI DATA SEQUENCE QMTDDEKYLW KDLTLDQAYS YAVENAKDII ACGFDINKTF IFSDLDYMGM DATA SEQUENCE SSGFYKNVVK IQKHVTFNQV KGIFGFTDSD CIGKISFPAI QAAPSFSNSF DATA SEQUENCE PQIFRDRTDI QCLIPCAIDQ DPYFRMTRDV APRIGYPKPA LLHSTFFPAL DATA SEQUENCE QGAQTKMSAS DPNSSIFLTD TAKQIKTKVN KHAFSGGRDT IEEHRQFGGN DATA SEQUENCE CDVDVSFMYL TFFLEDDDKL EQIRKDYTSG AMLTGELKKA LIEVLQPLIA DATA SEQUENCE EHQARRKEVT DEIVKEFMTP RKLSFDFQ 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 94 S HA 0.000 nan 4.470 nan 0.000 0.327 94 S C 0.000 174.607 174.600 0.012 0.000 1.055 94 S CA 0.000 58.203 58.200 0.006 0.000 1.107 94 S CB 0.000 63.206 63.200 0.010 0.000 0.593 95 A N 2.394 125.227 122.820 0.021 0.000 2.246 95 A HA 0.709 5.029 4.320 -0.000 0.000 0.291 95 A C 0.971 178.572 177.584 0.029 0.000 1.103 95 A CA -0.533 51.522 52.037 0.031 0.000 0.844 95 A CB 0.260 19.289 19.000 0.050 0.000 1.136 95 A HN 0.932 nan 8.150 nan 0.000 0.500 96 K N -0.200 120.217 120.400 0.028 0.000 1.991 96 K HA 0.176 4.496 4.320 -0.000 0.000 0.208 96 K C 1.730 178.337 176.600 0.012 0.000 1.038 96 K CA 1.133 57.428 56.287 0.013 0.000 0.943 96 K CB -0.606 31.898 32.500 0.006 0.000 0.736 96 K HN 1.110 nan 8.250 nan 0.000 0.440 97 G N 1.774 110.589 108.800 0.025 0.000 2.704 97 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.344 97 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.344 97 G C 0.322 175.210 174.900 -0.020 0.000 1.200 97 G CA 1.071 46.188 45.100 0.027 0.000 0.962 97 G HN 0.338 nan 8.290 nan 0.000 0.552 98 I N 0.213 120.766 120.570 -0.029 0.000 3.067 98 I HA 0.628 4.798 4.170 -0.000 0.000 0.312 98 I C -1.019 174.989 176.117 -0.182 0.000 1.073 98 I CA -0.804 60.413 61.300 -0.138 0.000 1.016 98 I CB 2.292 40.182 38.000 -0.183 0.000 1.227 98 I HN 0.421 nan 8.210 nan 0.000 0.456 99 D N 1.228 121.431 120.400 -0.329 0.000 2.575 99 D HA 0.266 4.906 4.640 -0.000 0.000 0.250 99 D C -0.930 175.127 176.300 -0.406 0.000 1.279 99 D CA -0.269 53.580 54.000 -0.253 0.000 0.925 99 D CB 1.358 42.070 40.800 -0.147 0.000 1.261 99 D HN 0.478 nan 8.370 nan 0.000 0.567 100 Y N 1.318 121.510 120.300 -0.180 0.000 2.442 100 Y HA 0.155 4.705 4.550 -0.000 0.000 0.250 100 Y C 1.750 177.568 175.900 -0.137 0.000 1.113 100 Y CA -0.164 57.742 58.100 -0.325 0.000 1.273 100 Y CB 0.725 38.617 38.460 -0.947 0.000 1.138 100 Y HN 0.372 nan 8.280 nan 0.000 0.522 101 D N 0.157 120.587 120.400 0.049 0.000 2.317 101 D HA -0.100 4.540 4.640 -0.000 0.000 0.211 101 D C 1.782 178.129 176.300 0.078 0.000 0.966 101 D CA 0.773 54.829 54.000 0.094 0.000 0.876 101 D CB 0.244 41.081 40.800 0.062 0.000 0.927 101 D HN 0.298 nan 8.370 nan 0.000 0.519 102 K N 0.530 120.948 120.400 0.031 0.000 2.305 102 K HA 0.056 4.376 4.320 -0.000 0.000 0.199 102 K C 2.057 178.664 176.600 0.010 0.000 1.047 102 K CA 0.114 56.403 56.287 0.003 0.000 0.976 102 K CB 0.268 32.745 32.500 -0.038 0.000 0.765 102 K HN 0.077 nan 8.250 nan 0.000 0.474 103 L N 0.770 122.041 121.223 0.079 0.000 2.209 103 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 103 L C 1.997 178.993 176.870 0.211 0.000 1.094 103 L CA 0.212 55.132 54.840 0.134 0.000 0.790 103 L CB -0.216 42.043 42.059 0.334 0.000 0.932 103 L HN 0.148 nan 8.230 nan 0.000 0.447 104 I N -0.326 120.400 120.570 0.261 0.000 2.399 104 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 104 I C 2.373 178.569 176.117 0.131 0.000 1.146 104 I CA 1.286 62.724 61.300 0.231 0.000 1.412 104 I CB -0.869 37.268 38.000 0.228 0.000 1.076 104 I HN 0.079 nan 8.210 nan 0.000 0.432 105 V N 0.672 120.631 119.914 0.074 0.000 2.251 105 V HA -0.195 3.925 4.120 -0.000 0.000 0.237 105 V C 2.675 178.752 176.094 -0.029 0.000 1.040 105 V CA 1.668 63.981 62.300 0.020 0.000 1.005 105 V CB -0.715 31.105 31.823 -0.004 0.000 0.645 105 V HN 0.305 nan 8.190 nan 0.000 0.458 106 R N -0.213 120.215 120.500 -0.120 0.000 2.189 106 R HA -0.281 4.059 4.340 -0.000 0.000 0.252 106 R C 1.996 178.126 176.300 -0.284 0.000 1.134 106 R CA 2.706 58.637 56.100 -0.280 0.000 0.954 106 R CB -0.498 29.500 30.300 -0.503 0.000 0.890 106 R HN 0.449 nan 8.270 nan 0.000 0.443 107 F N -0.423 119.509 119.950 -0.029 0.000 2.780 107 F HA 0.268 4.795 4.527 -0.000 0.000 0.299 107 F C 1.834 177.610 175.800 -0.040 0.000 1.146 107 F CA 0.890 58.856 58.000 -0.057 0.000 1.428 107 F CB 0.184 39.118 39.000 -0.109 0.000 1.115 107 F HN 0.456 nan 8.300 nan 0.000 0.583 108 G N 0.266 109.137 108.800 0.119 0.000 2.175 108 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.265 108 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.265 108 G C 0.726 175.668 174.900 0.070 0.000 0.979 108 G CA 0.511 45.656 45.100 0.074 0.000 0.663 108 G HN 0.584 nan 8.290 nan 0.000 0.533 109 S N -0.447 115.313 115.700 0.099 0.000 2.633 109 S HA 0.679 5.149 4.470 -0.000 0.000 0.257 109 S C 0.506 175.126 174.600 0.032 0.000 1.265 109 S CA 0.609 58.845 58.200 0.061 0.000 0.980 109 S CB 1.421 64.690 63.200 0.115 0.000 1.017 109 S HN 1.835 nan 8.310 nan 0.000 0.577 110 S N -0.587 115.092 115.700 -0.036 0.000 2.473 110 S HA 0.470 4.940 4.470 -0.000 0.000 0.307 110 S C -0.660 174.029 174.600 0.150 0.000 1.094 110 S CA -1.013 57.199 58.200 0.019 0.000 1.070 110 S CB 1.103 64.271 63.200 -0.053 0.000 1.019 110 S HN 0.881 nan 8.310 nan 0.000 0.480 111 K N 2.484 122.990 120.400 0.177 0.000 2.355 111 K HA 0.254 4.574 4.320 -0.000 0.000 0.270 111 K C -0.663 176.055 176.600 0.197 0.000 1.003 111 K CA -0.421 55.987 56.287 0.201 0.000 0.957 111 K CB 0.242 32.856 32.500 0.191 0.000 0.939 111 K HN 0.750 nan 8.250 nan 0.000 0.482 112 I N 5.106 125.765 120.570 0.147 0.000 2.281 112 I HA 0.026 4.196 4.170 -0.000 0.000 0.293 112 I C -0.047 176.109 176.117 0.065 0.000 1.085 112 I CA -0.699 60.633 61.300 0.053 0.000 1.257 112 I CB 0.333 38.352 38.000 0.031 0.000 1.430 112 I HN 0.693 nan 8.210 nan 0.000 0.489 113 D N 5.982 126.409 120.400 0.046 0.000 2.423 113 D HA 0.202 4.842 4.640 -0.000 0.000 0.255 113 D C 0.856 177.178 176.300 0.036 0.000 1.174 113 D CA -0.675 53.355 54.000 0.050 0.000 1.008 113 D CB 0.901 41.731 40.800 0.050 0.000 1.101 113 D HN 0.051 nan 8.370 nan 0.000 0.516 114 K N 0.142 120.565 120.400 0.039 0.000 2.097 114 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 114 K C 1.693 178.312 176.600 0.032 0.000 1.049 114 K CA 1.183 57.491 56.287 0.036 0.000 0.933 114 K CB -0.387 32.133 32.500 0.034 0.000 0.717 114 K HN 0.596 nan 8.250 nan 0.000 0.442 115 E N 0.866 121.083 120.200 0.028 0.000 2.049 115 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 115 E C 2.001 178.614 176.600 0.021 0.000 1.007 115 E CA 1.109 57.525 56.400 0.026 0.000 0.809 115 E CB -0.286 29.429 29.700 0.025 0.000 0.749 115 E HN 0.055 nan 8.360 nan 0.000 0.450 116 L N 1.382 122.608 121.223 0.005 0.000 2.017 116 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 116 L C 2.136 179.013 176.870 0.011 0.000 1.073 116 L CA 1.568 56.396 54.840 -0.020 0.000 0.745 116 L CB -0.343 41.659 42.059 -0.094 0.000 0.894 116 L HN 0.137 nan 8.230 nan 0.000 0.432 117 I N -0.027 120.559 120.570 0.027 0.000 2.208 117 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 117 I C 2.073 178.232 176.117 0.070 0.000 1.097 117 I CA 1.388 62.724 61.300 0.060 0.000 1.363 117 I CB -0.708 37.326 38.000 0.056 0.000 1.051 117 I HN 0.406 nan 8.210 nan 0.000 0.413 118 N N 0.794 119.525 118.700 0.053 0.000 2.188 118 N HA -0.173 4.567 4.740 -0.000 0.000 0.184 118 N C 1.888 177.434 175.510 0.059 0.000 1.018 118 N CA 0.999 54.081 53.050 0.054 0.000 0.858 118 N CB -0.434 38.078 38.487 0.042 0.000 0.989 118 N HN 0.369 nan 8.380 nan 0.000 0.426 119 R N 1.106 121.638 120.500 0.054 0.000 2.094 119 R HA -0.065 4.275 4.340 -0.000 0.000 0.239 119 R C 2.229 178.582 176.300 0.088 0.000 1.137 119 R CA 1.220 57.356 56.100 0.060 0.000 0.943 119 R CB -0.324 30.002 30.300 0.043 0.000 0.850 119 R HN 0.141 nan 8.270 nan 0.000 0.433 120 I N 0.738 121.371 120.570 0.105 0.000 2.127 120 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 120 I C 2.683 178.857 176.117 0.094 0.000 1.075 120 I CA 1.883 63.275 61.300 0.153 0.000 1.334 120 I CB -0.593 37.536 38.000 0.216 0.000 1.040 120 I HN 0.452 nan 8.210 nan 0.000 0.405 121 E N 1.466 121.730 120.200 0.105 0.000 2.070 121 E HA -0.328 4.022 4.350 -0.000 0.000 0.197 121 E C 2.384 179.012 176.600 0.048 0.000 1.004 121 E CA 1.667 58.117 56.400 0.083 0.000 0.805 121 E CB -0.135 29.619 29.700 0.089 0.000 0.744 121 E HN 0.314 nan 8.360 nan 0.000 0.451 122 R N -0.021 120.514 120.500 0.058 0.000 2.097 122 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 122 R C 2.310 178.647 176.300 0.062 0.000 1.135 122 R CA 1.841 57.974 56.100 0.055 0.000 0.934 122 R CB -0.423 29.912 30.300 0.058 0.000 0.846 122 R HN 0.257 nan 8.270 nan 0.000 0.431 123 A N -0.324 122.550 122.820 0.090 0.000 2.014 123 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 123 A C 2.093 179.744 177.584 0.111 0.000 1.163 123 A CA 1.744 53.873 52.037 0.154 0.000 0.652 123 A CB -0.579 18.586 19.000 0.275 0.000 0.808 123 A HN 0.676 nan 8.150 nan 0.000 0.449 124 T N -4.015 110.486 114.554 -0.088 0.000 3.014 124 T HA 0.332 4.682 4.350 -0.000 0.000 0.263 124 T C 1.485 176.101 174.700 -0.141 0.000 1.078 124 T CA 1.091 62.998 62.100 -0.321 0.000 1.135 124 T CB -0.431 68.099 68.868 -0.564 0.000 0.895 124 T HN 1.649 nan 8.240 nan 0.000 0.480 125 G N 1.113 109.887 108.800 -0.044 0.000 2.221 125 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.265 125 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.265 125 G C -0.298 174.595 174.900 -0.013 0.000 1.041 125 G CA 0.326 45.420 45.100 -0.011 0.000 0.807 125 G HN 0.761 nan 8.290 nan 0.000 0.502 126 Q N -1.836 117.963 119.800 -0.002 0.000 2.630 126 Q HA 0.395 4.735 4.340 -0.000 0.000 0.295 126 Q C -0.216 175.857 176.000 0.121 0.000 0.944 126 Q CA -1.127 54.706 55.803 0.050 0.000 0.766 126 Q CB 1.605 30.365 28.738 0.036 0.000 1.471 126 Q HN 0.262 nan 8.270 nan 0.000 0.416 127 R N 2.477 123.066 120.500 0.148 0.000 2.347 127 R HA 0.234 4.574 4.340 -0.000 0.000 0.304 127 R C -2.116 174.318 176.300 0.223 0.000 1.072 127 R CA -1.221 54.961 56.100 0.138 0.000 0.980 127 R CB 0.397 30.742 30.300 0.075 0.000 0.986 127 R HN 0.337 nan 8.270 nan 0.000 0.448 128 P HA -0.084 nan 4.420 nan 0.000 0.266 128 P C -0.566 176.556 177.300 -0.297 0.000 1.195 128 P CA 0.153 63.308 63.100 0.092 0.000 0.768 128 P CB 0.470 32.232 31.700 0.104 0.000 0.838 129 H N 3.237 121.640 119.070 -1.111 0.000 2.948 129 H HA -0.064 4.492 4.556 -0.000 0.000 0.351 129 H C 1.849 176.844 175.328 -0.554 0.000 1.079 129 H CA 0.436 55.810 56.048 -1.123 0.000 1.407 129 H CB 0.697 29.460 29.762 -1.664 0.000 1.373 129 H HN 0.583 nan 8.280 nan 0.000 0.605 130 H N 3.832 122.481 119.070 -0.702 0.000 2.457 130 H HA -0.155 4.401 4.556 0.000 0.000 0.297 130 H C 1.586 176.885 175.328 -0.048 0.000 1.092 130 H CA 0.805 56.653 56.048 -0.334 0.000 1.309 130 H CB -0.382 29.166 29.762 -0.356 0.000 1.382 130 H HN 0.395 nan 8.280 nan 0.000 0.535 131 F N 1.286 121.043 119.950 -0.320 0.000 2.161 131 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 131 F C 2.676 178.341 175.800 -0.225 0.000 1.089 131 F CA 0.412 58.231 58.000 -0.302 0.000 1.282 131 F CB -0.884 37.832 39.000 -0.473 0.000 1.010 131 F HN 0.128 nan 8.300 nan 0.000 0.485 132 L N -0.566 120.657 121.223 0.000 0.000 2.007 132 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 132 L C 2.638 179.518 176.870 0.018 0.000 1.073 132 L CA 1.045 55.898 54.840 0.021 0.000 0.744 132 L CB -0.571 41.517 42.059 0.049 0.000 0.898 132 L HN -0.053 nan 8.230 nan 0.000 0.435 133 R N 0.338 120.834 120.500 -0.005 0.000 2.103 133 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 133 R C 1.908 178.213 176.300 0.008 0.000 1.142 133 R CA 1.397 57.498 56.100 0.003 0.000 0.960 133 R CB -0.433 29.860 30.300 -0.011 0.000 0.858 133 R HN 0.396 nan 8.270 nan 0.000 0.439 134 R N -0.016 120.485 120.500 0.002 0.000 2.356 134 R HA 0.121 4.461 4.340 -0.000 0.000 0.234 134 R C 0.771 177.040 176.300 -0.052 0.000 0.929 134 R CA 0.439 56.527 56.100 -0.020 0.000 1.084 134 R CB 0.583 30.862 30.300 -0.035 0.000 1.105 134 R HN 0.406 nan 8.270 nan 0.000 0.515 135 G N 1.444 110.229 108.800 -0.026 0.000 2.179 135 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 135 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 135 G C 0.717 175.553 174.900 -0.108 0.000 1.010 135 G CA 0.225 45.311 45.100 -0.024 0.000 0.736 135 G HN 0.379 nan 8.290 nan 0.000 0.513 136 I N -1.379 119.085 120.570 -0.176 0.000 2.286 136 I HA 0.088 4.258 4.170 -0.000 0.000 0.245 136 I C 0.956 176.901 176.117 -0.288 0.000 1.104 136 I CA 0.942 62.022 61.300 -0.367 0.000 1.397 136 I CB -0.033 37.595 38.000 -0.621 0.000 1.072 136 I HN 0.178 nan 8.210 nan 0.000 0.417 137 F N 1.334 121.103 119.950 -0.302 0.000 2.318 137 F HA 0.149 4.676 4.527 -0.000 0.000 0.356 137 F C 0.858 176.579 175.800 -0.133 0.000 1.109 137 F CA -0.850 56.971 58.000 -0.299 0.000 1.234 137 F CB 0.345 39.023 39.000 -0.537 0.000 1.545 137 F HN -0.035 nan 8.300 nan 0.000 0.534 138 F N -0.599 119.268 119.950 -0.138 0.000 2.569 138 F HA 0.257 4.784 4.527 0.000 0.000 0.295 138 F C 0.868 176.693 175.800 0.041 0.000 1.115 138 F CA -0.094 57.870 58.000 -0.060 0.000 1.450 138 F CB -0.574 38.350 39.000 -0.127 0.000 1.107 138 F HN 0.187 nan 8.300 nan 0.000 0.563 139 S N 0.002 115.230 115.700 -0.787 0.000 2.677 139 S HA 0.652 5.122 4.470 -0.000 0.000 0.304 139 S C -1.082 173.442 174.600 -0.127 0.000 1.108 139 S CA -0.313 57.660 58.200 -0.379 0.000 0.944 139 S CB 0.977 63.839 63.200 -0.564 0.000 1.127 139 S HN 0.679 nan 8.310 nan 0.000 0.511 140 H N 0.959 119.917 119.070 -0.187 0.000 2.902 140 H HA 0.544 5.100 4.556 -0.000 0.000 0.297 140 H C -1.751 173.460 175.328 -0.196 0.000 1.406 140 H CA -0.935 54.941 56.048 -0.288 0.000 1.134 140 H CB 0.846 30.505 29.762 -0.171 0.000 1.833 140 H HN 0.662 nan 8.280 nan 0.000 0.527 141 R N 0.870 121.018 120.500 -0.587 0.000 2.512 141 R HA 0.156 4.496 4.340 -0.000 0.000 0.291 141 R C -1.141 174.998 176.300 -0.269 0.000 1.097 141 R CA -0.422 55.386 56.100 -0.486 0.000 0.940 141 R CB 0.924 31.069 30.300 -0.258 0.000 1.198 141 R HN 0.823 nan 8.270 nan 0.000 0.429 142 D N 2.286 122.559 120.400 -0.212 0.000 2.837 142 D HA -0.222 4.418 4.640 -0.000 0.000 0.230 142 D C 0.825 177.127 176.300 0.002 0.000 1.152 142 D CA 0.974 54.943 54.000 -0.052 0.000 0.736 142 D CB -0.453 40.302 40.800 -0.075 0.000 1.084 142 D HN 0.465 nan 8.370 nan 0.000 0.429 143 M N 1.285 121.020 119.600 0.224 0.000 2.319 143 M HA -0.098 4.383 4.480 -0.000 0.000 0.265 143 M C 1.825 178.086 176.300 -0.065 0.000 1.068 143 M CA 1.604 56.907 55.300 0.005 0.000 1.118 143 M CB -0.108 32.466 32.600 -0.044 0.000 1.395 143 M HN 0.248 nan 8.290 nan 0.000 0.435 144 N N -0.291 118.434 118.700 0.042 0.000 2.205 144 N HA -0.244 4.496 4.740 -0.000 0.000 0.186 144 N C 1.450 176.948 175.510 -0.020 0.000 1.015 144 N CA 1.794 54.853 53.050 0.014 0.000 0.862 144 N CB -0.716 37.814 38.487 0.072 0.000 0.986 144 N HN 0.612 nan 8.380 nan 0.000 0.429 145 Q N 0.508 120.285 119.800 -0.037 0.000 2.062 145 Q HA 0.049 4.389 4.340 -0.000 0.000 0.196 145 Q C 2.433 178.368 176.000 -0.108 0.000 0.967 145 Q CA 1.042 56.813 55.803 -0.054 0.000 0.832 145 Q CB 0.025 28.735 28.738 -0.048 0.000 0.899 145 Q HN 0.170 nan 8.270 nan 0.000 0.442 146 V N 1.439 121.222 119.914 -0.218 0.000 2.392 146 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 146 V C 2.176 178.083 176.094 -0.312 0.000 1.059 146 V CA 1.592 63.636 62.300 -0.427 0.000 1.051 146 V CB -0.542 30.791 31.823 -0.817 0.000 0.658 146 V HN 0.320 nan 8.190 nan 0.000 0.455 147 L N -0.573 120.537 121.223 -0.188 0.000 2.023 147 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 147 L C 2.496 179.393 176.870 0.044 0.000 1.073 147 L CA 1.574 56.407 54.840 -0.011 0.000 0.745 147 L CB -0.804 41.263 42.059 0.013 0.000 0.900 147 L HN 0.286 nan 8.230 nan 0.000 0.435 148 D N 0.374 120.778 120.400 0.006 0.000 2.157 148 D HA -0.269 4.371 4.640 -0.000 0.000 0.191 148 D C 2.087 178.392 176.300 0.008 0.000 1.004 148 D CA 1.788 55.794 54.000 0.011 0.000 0.854 148 D CB -0.104 40.697 40.800 0.002 0.000 0.936 148 D HN 0.390 nan 8.370 nan 0.000 0.446 149 A N 0.129 122.953 122.820 0.006 0.000 1.845 149 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 149 A C 2.268 179.840 177.584 -0.020 0.000 1.195 149 A CA 1.505 53.547 52.037 0.008 0.000 0.616 149 A CB -1.221 17.802 19.000 0.037 0.000 0.832 149 A HN 0.288 nan 8.150 nan 0.000 0.443 150 Y N 0.859 121.111 120.300 -0.080 0.000 2.128 150 Y HA -0.210 4.340 4.550 0.000 0.000 0.284 150 Y C 2.359 178.166 175.900 -0.154 0.000 1.154 150 Y CA 2.267 60.287 58.100 -0.135 0.000 1.149 150 Y CB -0.350 38.199 38.460 0.149 0.000 0.976 150 Y HN 0.502 nan 8.280 nan 0.000 0.505 151 E N -0.640 119.572 120.200 0.020 0.000 2.204 151 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 151 E C 0.944 177.497 176.600 -0.079 0.000 0.990 151 E CA 1.142 57.534 56.400 -0.012 0.000 0.821 151 E CB -0.232 29.505 29.700 0.062 0.000 0.750 151 E HN 0.445 nan 8.360 nan 0.000 0.477 152 N N 0.984 119.629 118.700 -0.092 0.000 2.346 152 N HA -0.003 4.737 4.740 -0.000 0.000 0.225 152 N C -0.955 174.481 175.510 -0.125 0.000 1.144 152 N CA 0.096 53.103 53.050 -0.071 0.000 0.837 152 N CB -0.063 38.403 38.487 -0.034 0.000 1.069 152 N HN 0.098 nan 8.380 nan 0.000 0.487 153 K N -0.761 119.466 120.400 -0.288 0.000 3.257 153 K HA -0.284 4.036 4.320 -0.000 0.000 0.270 153 K C -1.236 175.092 176.600 -0.453 0.000 0.984 153 K CA 1.019 57.054 56.287 -0.420 0.000 0.739 153 K CB -2.119 30.522 32.500 0.235 0.000 1.351 153 K HN 0.181 nan 8.250 nan 0.000 0.463 154 K N 0.606 120.631 120.400 -0.625 0.000 2.422 154 K HA 0.491 4.811 4.320 -0.000 0.000 0.251 154 K C -2.605 173.912 176.600 -0.139 0.000 0.933 154 K CA -2.378 53.782 56.287 -0.212 0.000 0.798 154 K CB 2.528 34.999 32.500 -0.048 0.000 1.238 154 K HN 0.043 nan 8.250 nan 0.000 0.428 155 P HA 0.297 nan 4.420 nan 0.000 0.278 155 P C -1.135 176.331 177.300 0.277 0.000 1.258 155 P CA -0.366 62.902 63.100 0.279 0.000 0.811 155 P CB 0.540 32.507 31.700 0.445 0.000 1.063 156 F N -0.495 119.531 119.950 0.127 0.000 2.686 156 F HA 0.719 5.246 4.527 -0.000 0.000 0.311 156 F C -1.790 174.062 175.800 0.087 0.000 1.128 156 F CA -1.398 56.629 58.000 0.046 0.000 0.946 156 F CB 0.880 39.827 39.000 -0.088 0.000 1.336 156 F HN 0.421 nan 8.300 nan 0.000 0.457 157 Y N 0.540 120.852 120.300 0.020 0.000 2.634 157 Y HA 0.880 5.430 4.550 0.000 0.000 0.340 157 Y C -1.972 173.969 175.900 0.069 0.000 1.058 157 Y CA -2.663 55.383 58.100 -0.091 0.000 1.081 157 Y CB 1.083 39.550 38.460 0.012 0.000 1.295 157 Y HN 0.764 nan 8.280 nan 0.000 0.487 158 L N 2.303 123.471 121.223 -0.093 0.000 2.334 158 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 158 L C -1.358 175.462 176.870 -0.084 0.000 1.013 158 L CA -1.093 53.660 54.840 -0.144 0.000 0.816 158 L CB 1.746 43.768 42.059 -0.062 0.000 1.278 158 L HN 0.739 nan 8.230 nan 0.000 0.431 159 Y N 0.808 120.959 120.300 -0.247 0.000 2.421 159 Y HA 0.673 5.223 4.550 0.000 0.000 0.339 159 Y C -0.967 174.879 175.900 -0.090 0.000 0.996 159 Y CA -0.771 57.248 58.100 -0.135 0.000 1.046 159 Y CB 2.209 40.584 38.460 -0.142 0.000 1.226 159 Y HN 0.562 nan 8.280 nan 0.000 0.445 160 T N 3.970 118.255 114.554 -0.449 0.000 2.900 160 T HA 0.806 5.156 4.350 -0.000 0.000 0.303 160 T C -0.704 173.718 174.700 -0.464 0.000 1.142 160 T CA -0.385 61.402 62.100 -0.521 0.000 1.007 160 T CB 1.864 70.603 68.868 -0.216 0.000 1.156 160 T HN 0.981 nan 8.240 nan 0.000 0.490 161 G N 0.615 109.205 108.800 -0.351 0.000 2.680 161 G HA2 0.746 4.706 3.960 -0.000 0.000 0.290 161 G HA3 0.746 4.706 3.960 -0.000 0.000 0.290 161 G C -1.685 173.183 174.900 -0.053 0.000 1.355 161 G CA -0.823 44.191 45.100 -0.143 0.000 0.903 161 G HN 0.630 nan 8.290 nan 0.000 0.474 162 R N -0.311 120.173 120.500 -0.027 0.000 2.508 162 R HA 0.552 4.892 4.340 -0.000 0.000 0.283 162 R C -0.311 175.979 176.300 -0.017 0.000 1.120 162 R CA -0.212 55.884 56.100 -0.007 0.000 0.958 162 R CB 1.108 31.425 30.300 0.028 0.000 1.215 162 R HN 0.958 nan 8.270 nan 0.000 0.427 163 G N 4.307 113.096 108.800 -0.019 0.000 2.333 163 G HA2 0.405 4.365 3.960 -0.000 0.000 0.290 163 G HA3 0.405 4.365 3.960 -0.000 0.000 0.290 163 G C -2.358 172.534 174.900 -0.013 0.000 1.150 163 G CA -1.623 43.475 45.100 -0.003 0.000 0.895 163 G HN 0.467 nan 8.290 nan 0.000 0.444 164 P HA 0.062 nan 4.420 nan 0.000 0.256 164 P C 0.087 177.375 177.300 -0.020 0.000 1.189 164 P CA 0.630 63.754 63.100 0.041 0.000 0.808 164 P CB 0.700 32.492 31.700 0.153 0.000 0.793 165 S N 1.503 117.119 115.700 -0.140 0.000 2.795 165 S HA 0.250 4.720 4.470 -0.000 0.000 0.308 165 S C 1.271 175.577 174.600 -0.490 0.000 1.098 165 S CA -0.542 57.520 58.200 -0.229 0.000 0.934 165 S CB 0.753 63.883 63.200 -0.116 0.000 1.300 165 S HN 0.218 nan 8.310 nan 0.000 0.566 166 S N 0.845 116.306 115.700 -0.398 0.000 2.584 166 S HA -0.045 4.425 4.470 -0.000 0.000 0.240 166 S C 0.917 175.330 174.600 -0.312 0.000 0.975 166 S CA 0.986 58.932 58.200 -0.423 0.000 0.949 166 S CB -0.560 62.495 63.200 -0.241 0.000 0.761 166 S HN 0.772 nan 8.310 nan 0.000 0.536 167 E N -1.054 119.001 120.200 -0.241 0.000 3.927 167 E HA -0.250 4.100 4.350 -0.000 0.000 0.330 167 E C 0.474 177.009 176.600 -0.108 0.000 0.751 167 E CA 0.429 56.749 56.400 -0.133 0.000 1.254 167 E CB -1.615 28.019 29.700 -0.111 0.000 1.643 167 E HN 0.567 nan 8.360 nan 0.000 0.430 168 A N 1.192 123.913 122.820 -0.165 0.000 2.863 168 A HA 0.230 4.550 4.320 -0.000 0.000 0.246 168 A C 0.587 178.126 177.584 -0.076 0.000 1.772 168 A CA 0.458 52.310 52.037 -0.309 0.000 1.456 168 A CB -0.610 18.122 19.000 -0.447 0.000 0.930 168 A HN 0.394 nan 8.150 nan 0.000 0.630 169 M N 2.675 122.319 119.600 0.075 0.000 2.243 169 M HA 0.237 4.717 4.480 -0.000 0.000 0.341 169 M C 0.485 176.940 176.300 0.258 0.000 1.130 169 M CA 0.194 55.663 55.300 0.283 0.000 1.162 169 M CB 0.421 33.151 32.600 0.217 0.000 1.497 169 M HN 0.766 nan 8.290 nan 0.000 0.456 170 H N 1.753 120.779 119.070 -0.073 0.000 2.869 170 H HA 0.345 4.901 4.556 0.000 0.000 0.342 170 H C 0.427 175.626 175.328 -0.215 0.000 1.250 170 H CA -0.986 55.014 56.048 -0.080 0.000 1.217 170 H CB 0.433 30.134 29.762 -0.102 0.000 1.917 170 H HN 0.485 nan 8.280 nan 0.000 0.586 171 V N 0.875 120.718 119.914 -0.118 0.000 2.317 171 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 171 V C 2.630 178.374 176.094 -0.582 0.000 1.065 171 V CA 2.758 64.903 62.300 -0.257 0.000 1.049 171 V CB -1.142 30.612 31.823 -0.115 0.000 0.651 171 V HN 0.990 nan 8.190 nan 0.000 0.450 172 G N -2.076 106.199 108.800 -0.875 0.000 2.471 172 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 172 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 172 G C 1.238 175.745 174.900 -0.655 0.000 1.125 172 G CA 0.743 45.072 45.100 -1.285 0.000 0.775 172 G HN 0.683 nan 8.290 nan 0.000 0.548 173 H N -0.612 118.049 119.070 -0.680 0.000 2.495 173 H HA 0.107 4.663 4.556 0.000 0.000 0.287 173 H C 2.127 177.431 175.328 -0.040 0.000 1.033 173 H CA -0.228 55.626 56.048 -0.324 0.000 1.307 173 H CB 0.285 29.904 29.762 -0.238 0.000 1.401 173 H HN 0.166 nan 8.280 nan 0.000 0.555 174 L N 0.545 121.811 121.223 0.071 0.000 2.240 174 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 174 L C 2.077 179.098 176.870 0.252 0.000 1.106 174 L CA 0.695 55.690 54.840 0.258 0.000 0.793 174 L CB -0.648 41.522 42.059 0.184 0.000 0.927 174 L HN 0.334 nan 8.230 nan 0.000 0.446 175 I N 1.292 121.902 120.570 0.067 0.000 2.113 175 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 175 I C 0.128 176.389 176.117 0.239 0.000 1.064 175 I CA 1.855 63.224 61.300 0.115 0.000 1.320 175 I CB -2.870 35.040 38.000 -0.150 0.000 1.028 175 I HN 0.217 nan 8.210 nan 0.000 0.406 176 P HA -0.140 nan 4.420 nan 0.000 0.217 176 P C 2.024 179.358 177.300 0.057 0.000 1.151 176 P CA 1.537 64.668 63.100 0.051 0.000 0.828 176 P CB -0.176 31.378 31.700 -0.243 0.000 0.788 177 F N 0.068 120.177 119.950 0.265 0.000 2.113 177 F HA -0.068 4.458 4.527 -0.000 0.000 0.297 177 F C 2.689 178.660 175.800 0.285 0.000 1.103 177 F CA 0.808 59.035 58.000 0.378 0.000 1.248 177 F CB -1.596 37.636 39.000 0.387 0.000 0.999 177 F HN -0.243 nan 8.300 nan 0.000 0.475 178 I N -0.972 119.849 120.570 0.419 0.000 2.118 178 I HA -0.371 3.799 4.170 -0.000 0.000 0.241 178 I C 2.458 178.691 176.117 0.194 0.000 1.070 178 I CA 1.546 63.010 61.300 0.274 0.000 1.327 178 I CB -0.544 37.681 38.000 0.375 0.000 1.034 178 I HN 0.052 nan 8.210 nan 0.000 0.405 179 F N 1.859 121.848 119.950 0.064 0.000 2.069 179 F HA -0.266 4.261 4.527 0.000 0.000 0.298 179 F C 2.712 178.508 175.800 -0.007 0.000 1.113 179 F CA 2.214 60.116 58.000 -0.163 0.000 1.214 179 F CB -1.024 37.817 39.000 -0.266 0.000 0.978 179 F HN 0.008 nan 8.300 nan 0.000 0.474 180 T N 0.381 114.985 114.554 0.084 0.000 2.720 180 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 180 T C 2.031 176.821 174.700 0.150 0.000 1.037 180 T CA 1.840 63.967 62.100 0.044 0.000 1.144 180 T CB -0.388 68.596 68.868 0.193 0.000 0.864 180 T HN 0.275 nan 8.240 nan 0.000 0.444 181 K N -0.471 120.071 120.400 0.237 0.000 2.057 181 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 181 K C 2.163 178.795 176.600 0.053 0.000 1.049 181 K CA 1.419 57.752 56.287 0.076 0.000 0.931 181 K CB -0.286 32.038 32.500 -0.294 0.000 0.714 181 K HN 0.461 nan 8.250 nan 0.000 0.440 182 W N 1.623 122.842 121.300 -0.135 0.000 2.354 182 W HA -0.166 4.494 4.660 0.000 0.000 0.315 182 W C 1.545 177.983 176.519 -0.137 0.000 1.206 182 W CA 1.494 58.759 57.345 -0.134 0.000 1.290 182 W CB -0.462 28.881 29.460 -0.195 0.000 1.152 182 W HN 0.007 nan 8.180 nan 0.000 0.489 183 L N 0.347 121.399 121.223 -0.286 0.000 2.043 183 L HA -0.324 4.016 4.340 -0.000 0.000 0.212 183 L C 2.731 179.479 176.870 -0.203 0.000 1.075 183 L CA 2.015 56.632 54.840 -0.372 0.000 0.752 183 L CB -1.123 40.715 42.059 -0.368 0.000 0.891 183 L HN 0.213 nan 8.230 nan 0.000 0.432 184 Q N 0.049 119.771 119.800 -0.131 0.000 1.993 184 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 184 Q C 1.852 177.795 176.000 -0.096 0.000 0.984 184 Q CA 2.039 57.805 55.803 -0.062 0.000 0.837 184 Q CB 0.059 28.832 28.738 0.058 0.000 0.902 184 Q HN 0.458 nan 8.270 nan 0.000 0.423 185 D N -0.368 119.950 120.400 -0.137 0.000 2.123 185 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 185 D C 1.787 177.931 176.300 -0.260 0.000 0.992 185 D CA 1.061 54.971 54.000 -0.150 0.000 0.833 185 D CB -0.032 40.703 40.800 -0.108 0.000 0.954 185 D HN 0.145 nan 8.370 nan 0.000 0.455 186 V N -0.244 119.350 119.914 -0.533 0.000 3.380 186 V HA -0.066 4.054 4.120 -0.000 0.000 0.268 186 V C 1.073 176.788 176.094 -0.632 0.000 1.168 186 V CA 0.895 62.794 62.300 -0.668 0.000 1.156 186 V CB -0.387 30.683 31.823 -1.255 0.000 0.785 186 V HN 0.070 nan 8.190 nan 0.000 0.487 187 F N -1.195 118.541 119.950 -0.357 0.000 2.831 187 F HA 0.355 4.882 4.527 -0.000 0.000 0.334 187 F C 1.033 176.748 175.800 -0.143 0.000 1.071 187 F CA -0.382 57.419 58.000 -0.332 0.000 1.172 187 F CB 0.170 38.863 39.000 -0.512 0.000 1.054 187 F HN 0.156 nan 8.300 nan 0.000 0.572 188 N N 1.413 120.142 118.700 0.048 0.000 2.671 188 N HA -0.157 4.583 4.740 -0.000 0.000 0.261 188 N C -1.178 174.392 175.510 0.101 0.000 1.053 188 N CA 0.751 53.849 53.050 0.080 0.000 0.732 188 N CB -0.772 37.785 38.487 0.116 0.000 0.887 188 N HN 0.141 nan 8.380 nan 0.000 0.546 189 V N -0.911 118.970 119.914 -0.055 0.000 2.735 189 V HA 0.843 4.963 4.120 -0.000 0.000 0.310 189 V C -2.110 173.872 176.094 -0.187 0.000 1.061 189 V CA -1.992 60.180 62.300 -0.214 0.000 0.913 189 V CB 2.220 33.641 31.823 -0.670 0.000 1.005 189 V HN 0.132 nan 8.190 nan 0.000 0.428 190 P HA 0.292 nan 4.420 nan 0.000 0.269 190 P C -1.006 176.267 177.300 -0.044 0.000 1.215 190 P CA -0.070 62.896 63.100 -0.223 0.000 0.780 190 P CB 1.445 32.825 31.700 -0.534 0.000 0.898 191 L N 3.388 124.617 121.223 0.011 0.000 2.381 191 L HA 0.475 4.815 4.340 -0.000 0.000 0.274 191 L C -1.216 175.683 176.870 0.050 0.000 0.988 191 L CA -0.766 54.101 54.840 0.045 0.000 0.824 191 L CB 2.003 44.072 42.059 0.016 0.000 1.263 191 L HN 0.065 nan 8.230 nan 0.000 0.410 192 V N 6.710 126.688 119.914 0.107 0.000 2.435 192 V HA 0.546 4.666 4.120 -0.000 0.000 0.290 192 V C -0.186 176.010 176.094 0.170 0.000 1.030 192 V CA -0.274 62.083 62.300 0.095 0.000 0.881 192 V CB 1.687 33.477 31.823 -0.055 0.000 0.983 192 V HN 0.678 nan 8.190 nan 0.000 0.445 193 I N 5.269 125.840 120.570 0.003 0.000 2.439 193 I HA 0.388 4.558 4.170 -0.000 0.000 0.285 193 I C -0.231 175.592 176.117 -0.491 0.000 1.021 193 I CA -0.350 60.865 61.300 -0.142 0.000 1.091 193 I CB 1.784 39.637 38.000 -0.245 0.000 1.242 193 I HN 0.564 nan 8.210 nan 0.000 0.439 194 Q N 7.035 126.582 119.800 -0.423 0.000 2.294 194 Q HA 0.391 4.731 4.340 -0.000 0.000 0.257 194 Q C -1.052 174.702 176.000 -0.410 0.000 0.955 194 Q CA -0.662 54.636 55.803 -0.840 0.000 0.936 194 Q CB 0.992 29.602 28.738 -0.213 0.000 1.188 194 Q HN 0.477 nan 8.270 nan 0.000 0.420 195 M N 3.994 123.327 119.600 -0.444 0.000 2.111 195 M HA 0.144 4.624 4.480 -0.000 0.000 0.351 195 M C -0.029 176.251 176.300 -0.033 0.000 1.214 195 M CA -0.324 54.869 55.300 -0.179 0.000 1.120 195 M CB 0.439 32.931 32.600 -0.180 0.000 1.443 195 M HN 0.597 nan 8.290 nan 0.000 0.429 196 T N -1.434 113.162 114.554 0.069 0.000 4.508 196 T HA 0.113 4.463 4.350 -0.000 0.000 0.232 196 T C 0.636 175.419 174.700 0.138 0.000 1.027 196 T CA -0.629 61.590 62.100 0.197 0.000 0.999 196 T CB -0.972 68.095 68.868 0.332 0.000 1.402 196 T HN 0.534 nan 8.240 nan 0.000 1.003 197 D N 1.525 122.006 120.400 0.135 0.000 2.218 197 D HA -0.219 4.421 4.640 -0.000 0.000 0.204 197 D C 1.484 177.882 176.300 0.162 0.000 0.976 197 D CA 1.256 55.345 54.000 0.148 0.000 0.853 197 D CB -0.175 40.726 40.800 0.168 0.000 0.939 197 D HN 0.604 nan 8.370 nan 0.000 0.481 198 D N 1.045 121.539 120.400 0.156 0.000 2.123 198 D HA -0.231 4.409 4.640 -0.000 0.000 0.200 198 D C 1.886 178.198 176.300 0.020 0.000 0.976 198 D CA 1.284 55.361 54.000 0.129 0.000 0.831 198 D CB -0.934 39.967 40.800 0.169 0.000 0.974 198 D HN 0.512 nan 8.370 nan 0.000 0.469 199 E N 0.653 120.723 120.200 -0.216 0.000 2.130 199 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 199 E C 1.616 178.280 176.600 0.108 0.000 0.998 199 E CA 1.079 57.240 56.400 -0.398 0.000 0.806 199 E CB 0.125 29.482 29.700 -0.571 0.000 0.738 199 E HN -0.003 nan 8.360 nan 0.000 0.459 200 K N -0.234 120.237 120.400 0.117 0.000 2.228 200 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 200 K C 1.879 178.598 176.600 0.198 0.000 1.051 200 K CA 0.764 57.159 56.287 0.180 0.000 0.960 200 K CB -0.383 32.219 32.500 0.169 0.000 0.743 200 K HN 0.342 nan 8.250 nan 0.000 0.458 201 Y N 1.062 121.411 120.300 0.081 0.000 2.242 201 Y HA -0.159 4.391 4.550 -0.000 0.000 0.291 201 Y C 1.767 177.679 175.900 0.020 0.000 1.137 201 Y CA 1.010 59.141 58.100 0.051 0.000 1.181 201 Y CB -0.053 38.425 38.460 0.030 0.000 0.989 201 Y HN -0.155 nan 8.280 nan 0.000 0.527 202 L N -1.049 120.185 121.223 0.019 0.000 2.072 202 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 202 L C 2.230 178.947 176.870 -0.255 0.000 1.079 202 L CA 1.485 56.221 54.840 -0.173 0.000 0.752 202 L CB -1.155 40.798 42.059 -0.178 0.000 0.906 202 L HN 0.437 nan 8.230 nan 0.000 0.436 203 W N -0.434 120.795 121.300 -0.119 0.000 2.588 203 W HA 0.055 4.715 4.660 -0.000 0.000 0.277 203 W C 1.084 177.565 176.519 -0.063 0.000 1.221 203 W CA 0.093 57.396 57.345 -0.071 0.000 1.355 203 W CB 0.305 29.744 29.460 -0.035 0.000 1.083 203 W HN -0.042 nan 8.180 nan 0.000 0.581 204 K N 0.590 121.078 120.400 0.147 0.000 2.177 204 K HA 0.081 4.401 4.320 -0.000 0.000 0.238 204 K C -0.181 176.406 176.600 -0.022 0.000 1.015 204 K CA -0.291 56.044 56.287 0.081 0.000 0.922 204 K CB 0.425 32.995 32.500 0.116 0.000 1.127 204 K HN -0.263 nan 8.250 nan 0.000 0.469 205 D N 1.847 122.245 120.400 -0.004 0.000 2.943 205 D HA 0.195 4.835 4.640 -0.000 0.000 0.249 205 D C -0.548 175.748 176.300 -0.007 0.000 1.231 205 D CA -0.057 53.919 54.000 -0.041 0.000 0.979 205 D CB -0.392 40.398 40.800 -0.017 0.000 1.053 205 D HN 0.248 nan 8.370 nan 0.000 0.504 206 L N -0.278 120.938 121.223 -0.011 0.000 2.332 206 L HA 0.385 4.725 4.340 -0.000 0.000 0.269 206 L C 1.112 178.039 176.870 0.095 0.000 1.016 206 L CA -0.794 54.084 54.840 0.063 0.000 0.809 206 L CB 1.833 43.974 42.059 0.137 0.000 1.280 206 L HN -0.132 nan 8.230 nan 0.000 0.447 207 T N -0.021 114.610 114.554 0.129 0.000 2.847 207 T HA 0.164 4.514 4.350 -0.000 0.000 0.279 207 T C 0.916 175.786 174.700 0.283 0.000 0.984 207 T CA -0.474 61.739 62.100 0.190 0.000 0.988 207 T CB 0.702 69.616 68.868 0.077 0.000 1.040 207 T HN 0.367 nan 8.240 nan 0.000 0.528 208 L N 1.284 122.611 121.223 0.173 0.000 2.217 208 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 208 L C 1.442 178.312 176.870 -0.000 0.000 1.107 208 L CA 2.057 56.860 54.840 -0.060 0.000 0.783 208 L CB -0.932 40.940 42.059 -0.312 0.000 0.919 208 L HN 0.709 nan 8.230 nan 0.000 0.442 209 D N -1.393 119.011 120.400 0.008 0.000 2.249 209 D HA -0.140 4.500 4.640 -0.000 0.000 0.205 209 D C 2.149 178.443 176.300 -0.011 0.000 0.962 209 D CA 0.483 54.491 54.000 0.014 0.000 0.860 209 D CB 0.189 40.984 40.800 -0.007 0.000 0.955 209 D HN 0.351 nan 8.370 nan 0.000 0.505 210 Q N 0.468 120.226 119.800 -0.069 0.000 2.079 210 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 210 Q C 2.238 178.007 176.000 -0.385 0.000 0.974 210 Q CA 1.276 56.913 55.803 -0.277 0.000 0.840 210 Q CB -0.105 28.498 28.738 -0.225 0.000 0.898 210 Q HN 0.285 nan 8.270 nan 0.000 0.430 211 A N 0.411 123.190 122.820 -0.068 0.000 1.858 211 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 211 A C 1.923 179.554 177.584 0.078 0.000 1.190 211 A CA 1.438 53.518 52.037 0.071 0.000 0.617 211 A CB -1.069 18.048 19.000 0.195 0.000 0.827 211 A HN 0.501 nan 8.150 nan 0.000 0.443 212 Y N 0.799 121.087 120.300 -0.020 0.000 2.207 212 Y HA -0.199 4.351 4.550 0.000 0.000 0.287 212 Y C 2.883 178.773 175.900 -0.017 0.000 1.156 212 Y CA 1.671 59.768 58.100 -0.004 0.000 1.182 212 Y CB -0.423 38.029 38.460 -0.013 0.000 0.979 212 Y HN 0.315 nan 8.280 nan 0.000 0.521 213 S N -1.018 114.670 115.700 -0.020 0.000 2.382 213 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 213 S C 1.794 176.342 174.600 -0.086 0.000 1.027 213 S CA 1.495 59.632 58.200 -0.105 0.000 0.991 213 S CB -0.571 62.536 63.200 -0.155 0.000 0.823 213 S HN 0.593 nan 8.310 nan 0.000 0.469 214 Y N 1.473 121.750 120.300 -0.037 0.000 2.263 214 Y HA 0.247 4.797 4.550 0.000 0.000 0.292 214 Y C 2.677 178.518 175.900 -0.098 0.000 1.130 214 Y CA -0.003 58.069 58.100 -0.048 0.000 1.179 214 Y CB -1.294 37.158 38.460 -0.015 0.000 0.998 214 Y HN 0.326 nan 8.280 nan 0.000 0.532 215 A N -0.392 122.437 122.820 0.015 0.000 1.978 215 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 215 A C 2.455 179.932 177.584 -0.178 0.000 1.170 215 A CA 1.969 53.944 52.037 -0.102 0.000 0.636 215 A CB -1.103 17.793 19.000 -0.173 0.000 0.810 215 A HN 0.245 nan 8.150 nan 0.000 0.448 216 V N 0.008 119.780 119.914 -0.236 0.000 2.283 216 V HA -0.170 3.950 4.120 -0.000 0.000 0.243 216 V C 2.562 178.599 176.094 -0.095 0.000 1.039 216 V CA 1.978 64.158 62.300 -0.199 0.000 1.016 216 V CB -0.689 31.009 31.823 -0.207 0.000 0.650 216 V HN 0.492 nan 8.190 nan 0.000 0.449 217 E N 0.603 120.783 120.200 -0.033 0.000 2.097 217 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 217 E C 1.984 178.564 176.600 -0.033 0.000 1.000 217 E CA 1.670 58.068 56.400 -0.003 0.000 0.804 217 E CB -0.709 29.029 29.700 0.064 0.000 0.740 217 E HN 0.720 nan 8.360 nan 0.000 0.454 218 N N 0.532 119.206 118.700 -0.043 0.000 2.244 218 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 218 N C 1.766 177.200 175.510 -0.127 0.000 1.016 218 N CA 0.834 53.840 53.050 -0.075 0.000 0.866 218 N CB -0.069 38.375 38.487 -0.071 0.000 0.980 218 N HN 0.118 nan 8.380 nan 0.000 0.430 219 A N 1.454 124.188 122.820 -0.143 0.000 2.070 219 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 219 A C 1.976 179.444 177.584 -0.194 0.000 1.159 219 A CA 1.245 53.167 52.037 -0.192 0.000 0.656 219 A CB -0.180 18.717 19.000 -0.172 0.000 0.800 219 A HN 0.220 nan 8.150 nan 0.000 0.453 220 K N -0.376 119.946 120.400 -0.131 0.000 2.062 220 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 220 K C 1.414 177.938 176.600 -0.126 0.000 1.051 220 K CA 1.211 57.428 56.287 -0.116 0.000 0.941 220 K CB -0.186 32.273 32.500 -0.069 0.000 0.719 220 K HN 0.376 nan 8.250 nan 0.000 0.440 221 D N 1.394 121.747 120.400 -0.079 0.000 2.104 221 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 221 D C 1.882 178.167 176.300 -0.026 0.000 0.994 221 D CA 1.101 55.113 54.000 0.019 0.000 0.830 221 D CB -0.156 40.670 40.800 0.043 0.000 0.959 221 D HN 0.224 nan 8.370 nan 0.000 0.452 222 I N 0.168 120.604 120.570 -0.223 0.000 2.315 222 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 222 I C 2.116 178.168 176.117 -0.107 0.000 1.117 222 I CA 1.065 62.159 61.300 -0.344 0.000 1.404 222 I CB -0.111 37.527 38.000 -0.602 0.000 1.071 222 I HN -0.108 nan 8.210 nan 0.000 0.419 223 I N 1.763 122.199 120.570 -0.224 0.000 2.493 223 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 223 I C 2.845 178.885 176.117 -0.128 0.000 1.160 223 I CA 1.076 62.215 61.300 -0.268 0.000 1.445 223 I CB -0.532 37.186 38.000 -0.471 0.000 1.086 223 I HN 0.318 nan 8.210 nan 0.000 0.433 224 A N -0.110 122.612 122.820 -0.163 0.000 2.019 224 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 224 A C 2.268 179.775 177.584 -0.127 0.000 1.164 224 A CA 1.467 53.356 52.037 -0.246 0.000 0.644 224 A CB -1.106 17.490 19.000 -0.673 0.000 0.805 224 A HN 0.573 nan 8.150 nan 0.000 0.449 225 C N -0.832 118.452 119.300 -0.028 0.000 2.466 225 C HA 0.338 4.798 4.460 -0.000 0.000 0.283 225 C C 1.777 176.619 174.990 -0.247 0.000 1.472 225 C CA 0.228 59.205 59.018 -0.069 0.000 1.765 225 C CB -1.755 25.932 27.740 -0.088 0.000 1.724 225 C HN 1.163 nan 8.230 nan 0.000 0.560 226 G N 0.613 109.323 108.800 -0.149 0.000 2.353 226 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.294 226 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.294 226 G C -0.337 174.485 174.900 -0.131 0.000 1.077 226 G CA -0.513 44.529 45.100 -0.096 0.000 1.098 226 G HN 0.445 nan 8.290 nan 0.000 0.511 227 F N 0.053 120.034 119.950 0.052 0.000 2.384 227 F HA 0.390 4.917 4.527 0.000 0.000 0.338 227 F C 0.969 176.887 175.800 0.197 0.000 1.103 227 F CA -0.594 57.467 58.000 0.101 0.000 1.157 227 F CB 0.971 40.013 39.000 0.070 0.000 1.167 227 F HN 0.169 nan 8.300 nan 0.000 0.529 228 D N 3.455 124.046 120.400 0.318 0.000 2.346 228 D HA -0.050 4.590 4.640 -0.000 0.000 0.267 228 D C 1.247 177.700 176.300 0.255 0.000 1.320 228 D CA 0.419 54.556 54.000 0.229 0.000 0.951 228 D CB 0.229 41.113 40.800 0.139 0.000 1.079 228 D HN 0.621 nan 8.370 nan 0.000 0.509 229 I N 3.751 124.447 120.570 0.210 0.000 2.399 229 I HA -0.294 3.876 4.170 -0.000 0.000 0.254 229 I C 0.964 177.005 176.117 -0.126 0.000 1.146 229 I CA 0.923 62.136 61.300 -0.145 0.000 1.412 229 I CB 0.077 37.670 38.000 -0.678 0.000 1.076 229 I HN 0.355 nan 8.210 nan 0.000 0.432 230 N N 1.848 120.527 118.700 -0.036 0.000 2.515 230 N HA -0.085 4.655 4.740 -0.000 0.000 0.191 230 N C 0.558 176.086 175.510 0.030 0.000 1.182 230 N CA 0.766 53.801 53.050 -0.025 0.000 0.879 230 N CB 0.052 38.532 38.487 -0.011 0.000 0.984 230 N HN 0.666 nan 8.380 nan 0.000 0.453 231 K N -1.539 118.901 120.400 0.067 0.000 2.702 231 K HA 0.073 4.393 4.320 -0.000 0.000 0.182 231 K C -0.522 176.130 176.600 0.087 0.000 1.167 231 K CA -0.416 55.919 56.287 0.080 0.000 1.128 231 K CB -0.147 32.415 32.500 0.103 0.000 0.838 231 K HN -0.071 nan 8.250 nan 0.000 0.491 232 T N -1.394 113.250 114.554 0.150 0.000 2.879 232 T HA 0.551 4.901 4.350 -0.000 0.000 0.290 232 T C -1.304 173.569 174.700 0.287 0.000 0.993 232 T CA -0.658 61.559 62.100 0.196 0.000 0.975 232 T CB 1.145 70.181 68.868 0.280 0.000 0.981 232 T HN 0.179 nan 8.240 nan 0.000 0.439 233 F N 4.689 124.650 119.950 0.020 0.000 2.402 233 F HA 0.661 5.188 4.527 0.000 0.000 0.355 233 F C -1.109 174.750 175.800 0.097 0.000 1.123 233 F CA -2.466 55.553 58.000 0.031 0.000 1.021 233 F CB 0.699 39.633 39.000 -0.110 0.000 1.160 233 F HN 0.610 nan 8.300 nan 0.000 0.451 234 I N 8.787 129.323 120.570 -0.057 0.000 2.330 234 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 234 I C -0.876 175.012 176.117 -0.382 0.000 1.025 234 I CA -0.712 60.431 61.300 -0.260 0.000 1.197 234 I CB 0.495 38.405 38.000 -0.150 0.000 1.358 234 I HN 0.451 nan 8.210 nan 0.000 0.467 235 F N 3.850 123.395 119.950 -0.676 0.000 2.538 235 F HA 0.700 5.227 4.527 0.000 0.000 0.325 235 F C 0.069 175.769 175.800 -0.167 0.000 1.066 235 F CA -1.231 56.456 58.000 -0.521 0.000 0.946 235 F CB 1.371 39.841 39.000 -0.883 0.000 1.199 235 F HN 0.268 nan 8.300 nan 0.000 0.473 236 S N 1.689 117.483 115.700 0.158 0.000 2.475 236 S HA 0.210 4.680 4.470 -0.000 0.000 0.281 236 S C 0.507 175.307 174.600 0.332 0.000 1.198 236 S CA -0.514 57.798 58.200 0.188 0.000 1.063 236 S CB 0.492 63.890 63.200 0.330 0.000 0.972 236 S HN 0.747 nan 8.310 nan 0.000 0.486 237 D N 3.952 124.526 120.400 0.289 0.000 2.084 237 D HA -0.088 4.552 4.640 -0.000 0.000 0.194 237 D C 1.806 178.263 176.300 0.261 0.000 0.990 237 D CA 1.410 55.615 54.000 0.342 0.000 0.826 237 D CB -0.210 40.819 40.800 0.382 0.000 0.971 237 D HN 0.631 nan 8.370 nan 0.000 0.453 238 L N 0.166 121.525 121.223 0.226 0.000 2.349 238 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 238 L C 1.688 178.619 176.870 0.103 0.000 1.130 238 L CA 0.954 55.877 54.840 0.137 0.000 0.791 238 L CB -0.137 41.983 42.059 0.102 0.000 0.918 238 L HN -0.009 nan 8.230 nan 0.000 0.444 239 D N -1.831 118.682 120.400 0.188 0.000 2.490 239 D HA -0.151 4.489 4.640 -0.000 0.000 0.244 239 D C 1.840 178.254 176.300 0.190 0.000 0.979 239 D CA 0.202 54.300 54.000 0.164 0.000 0.924 239 D CB 0.100 41.071 40.800 0.285 0.000 1.075 239 D HN 0.157 nan 8.370 nan 0.000 0.488 240 Y N 0.362 120.719 120.300 0.094 0.000 2.516 240 Y HA 0.083 4.633 4.550 0.000 0.000 0.291 240 Y C 1.768 177.608 175.900 -0.100 0.000 1.131 240 Y CA 0.751 58.855 58.100 0.005 0.000 1.281 240 Y CB -0.115 38.306 38.460 -0.065 0.000 1.013 240 Y HN -0.010 nan 8.280 nan 0.000 0.554 241 M N -0.067 119.467 119.600 -0.110 0.000 2.086 241 M HA 0.003 4.483 4.480 -0.000 0.000 0.261 241 M C 2.072 178.291 176.300 -0.135 0.000 1.067 241 M CA 2.212 57.451 55.300 -0.101 0.000 1.116 241 M CB -0.969 31.678 32.600 0.079 0.000 1.348 241 M HN 0.187 nan 8.290 nan 0.000 0.407 242 G N 0.094 108.836 108.800 -0.098 0.000 3.124 242 G HA2 0.220 4.180 3.960 -0.000 0.000 0.212 242 G HA3 0.220 4.180 3.960 -0.000 0.000 0.212 242 G C 0.498 175.336 174.900 -0.103 0.000 1.181 242 G CA 0.396 45.438 45.100 -0.097 0.000 0.803 242 G HN 0.614 nan 8.290 nan 0.000 0.529 243 M N -1.274 118.225 119.600 -0.167 0.000 3.568 243 M HA 0.548 5.028 4.480 -0.000 0.000 0.386 243 M C -0.713 175.426 176.300 -0.268 0.000 1.765 243 M CA -0.596 54.626 55.300 -0.130 0.000 0.568 243 M CB 1.008 33.604 32.600 -0.008 0.000 1.428 243 M HN -0.069 nan 8.290 nan 0.000 0.493 244 S N 0.385 115.901 115.700 -0.307 0.000 2.548 244 S HA 0.490 4.960 4.470 -0.000 0.000 0.278 244 S C 0.128 174.652 174.600 -0.127 0.000 1.150 244 S CA 0.053 58.058 58.200 -0.325 0.000 0.907 244 S CB 1.819 64.533 63.200 -0.810 0.000 1.108 244 S HN 0.611 nan 8.310 nan 0.000 0.459 245 S N 2.509 118.181 115.700 -0.047 0.000 2.582 245 S HA 0.395 4.865 4.470 -0.000 0.000 0.234 245 S C 1.052 175.668 174.600 0.027 0.000 0.961 245 S CA 0.379 58.580 58.200 0.003 0.000 0.953 245 S CB 0.280 63.487 63.200 0.011 0.000 0.800 245 S HN 1.053 nan 8.310 nan 0.000 0.471 246 G N 0.061 108.877 108.800 0.025 0.000 2.633 246 G HA2 0.199 4.159 3.960 -0.000 0.000 0.198 246 G HA3 0.199 4.159 3.960 -0.000 0.000 0.198 246 G C 0.647 175.569 174.900 0.036 0.000 1.198 246 G CA -0.194 44.928 45.100 0.037 0.000 0.685 246 G HN 0.358 nan 8.290 nan 0.000 0.868 247 F N 1.157 121.026 119.950 -0.136 0.000 2.011 247 F HA -0.101 4.426 4.527 -0.000 0.000 0.296 247 F C 2.361 178.165 175.800 0.007 0.000 1.144 247 F CA 2.015 59.947 58.000 -0.114 0.000 1.185 247 F CB -0.413 38.477 39.000 -0.184 0.000 0.961 247 F HN 0.147 nan 8.300 nan 0.000 0.485 248 Y N 1.337 121.704 120.300 0.111 0.000 2.151 248 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 248 Y C 2.342 178.239 175.900 -0.006 0.000 1.166 248 Y CA 2.147 60.278 58.100 0.052 0.000 1.163 248 Y CB -0.666 37.829 38.460 0.057 0.000 0.974 248 Y HN 0.075 nan 8.280 nan 0.000 0.511 249 K N -0.341 120.014 120.400 -0.075 0.000 2.103 249 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 249 K C 1.740 178.240 176.600 -0.167 0.000 1.048 249 K CA 1.426 57.627 56.287 -0.144 0.000 0.930 249 K CB -0.236 32.252 32.500 -0.020 0.000 0.716 249 K HN 0.374 nan 8.250 nan 0.000 0.444 250 N N 0.591 119.209 118.700 -0.137 0.000 2.250 250 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 250 N C 1.927 177.348 175.510 -0.149 0.000 1.017 250 N CA 0.743 53.738 53.050 -0.092 0.000 0.866 250 N CB -0.271 38.174 38.487 -0.071 0.000 0.985 250 N HN -0.068 nan 8.380 nan 0.000 0.429 251 V N 1.154 120.915 119.914 -0.255 0.000 2.282 251 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 251 V C 2.448 178.412 176.094 -0.217 0.000 1.057 251 V CA 1.339 63.512 62.300 -0.211 0.000 1.032 251 V CB -0.576 31.157 31.823 -0.150 0.000 0.645 251 V HN 0.057 nan 8.190 nan 0.000 0.447 252 V N -0.387 119.289 119.914 -0.397 0.000 2.343 252 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 252 V C 2.397 178.391 176.094 -0.167 0.000 1.051 252 V CA 2.077 64.177 62.300 -0.332 0.000 1.036 252 V CB -0.759 30.785 31.823 -0.466 0.000 0.654 252 V HN 0.551 nan 8.190 nan 0.000 0.451 253 K N -0.140 120.185 120.400 -0.125 0.000 2.057 253 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 253 K C 2.056 178.709 176.600 0.088 0.000 1.049 253 K CA 1.566 57.839 56.287 -0.024 0.000 0.931 253 K CB -0.295 32.175 32.500 -0.048 0.000 0.714 253 K HN 0.379 nan 8.250 nan 0.000 0.440 254 I N 1.407 122.005 120.570 0.047 0.000 2.202 254 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 254 I C 2.456 178.619 176.117 0.078 0.000 1.091 254 I CA 1.288 62.650 61.300 0.105 0.000 1.368 254 I CB -0.272 37.790 38.000 0.103 0.000 1.058 254 I HN 0.199 nan 8.210 nan 0.000 0.410 255 Q N 0.567 120.370 119.800 0.006 0.000 2.217 255 Q HA -0.304 4.036 4.340 -0.000 0.000 0.209 255 Q C 2.186 178.162 176.000 -0.039 0.000 0.988 255 Q CA 1.747 57.544 55.803 -0.010 0.000 0.878 255 Q CB -0.211 28.502 28.738 -0.041 0.000 0.909 255 Q HN 0.420 nan 8.270 nan 0.000 0.424 256 K N -0.288 120.042 120.400 -0.117 0.000 2.296 256 K HA -0.105 4.215 4.320 -0.000 0.000 0.200 256 K C 1.056 177.450 176.600 -0.344 0.000 1.048 256 K CA 0.775 56.908 56.287 -0.258 0.000 0.966 256 K CB 0.262 32.518 32.500 -0.408 0.000 0.754 256 K HN 0.318 nan 8.250 nan 0.000 0.466 257 H N -0.406 118.662 119.070 -0.002 0.000 2.529 257 H HA 0.159 4.715 4.556 -0.000 0.000 0.277 257 H C -0.639 174.715 175.328 0.043 0.000 1.004 257 H CA 0.080 56.135 56.048 0.010 0.000 1.167 257 H CB 0.722 30.478 29.762 -0.011 0.000 1.445 257 H HN -0.109 nan 8.280 nan 0.000 0.554 258 V N 2.697 122.685 119.914 0.123 0.000 2.380 258 V HA 0.096 4.216 4.120 -0.000 0.000 0.286 258 V C 0.686 176.858 176.094 0.130 0.000 1.015 258 V CA -0.819 61.563 62.300 0.138 0.000 0.834 258 V CB 1.548 33.461 31.823 0.149 0.000 1.009 258 V HN 0.340 nan 8.190 nan 0.000 0.428 259 T N 1.319 115.952 114.554 0.132 0.000 2.726 259 T HA 0.213 4.563 4.350 -0.000 0.000 0.294 259 T C 0.963 175.804 174.700 0.234 0.000 1.013 259 T CA 0.031 62.222 62.100 0.151 0.000 0.996 259 T CB 0.657 69.595 68.868 0.118 0.000 1.016 259 T HN 0.339 nan 8.240 nan 0.000 0.529 260 F N 1.386 121.384 119.950 0.080 0.000 2.206 260 F HA 0.070 4.597 4.527 -0.000 0.000 0.298 260 F C 2.076 177.955 175.800 0.132 0.000 1.090 260 F CA 0.995 59.059 58.000 0.108 0.000 1.323 260 F CB -1.134 37.914 39.000 0.080 0.000 1.028 260 F HN 0.525 nan 8.300 nan 0.000 0.492 261 N N 0.756 119.397 118.700 -0.098 0.000 2.084 261 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 261 N C 1.867 177.333 175.510 -0.073 0.000 1.030 261 N CA 1.619 54.557 53.050 -0.186 0.000 0.849 261 N CB -0.502 37.944 38.487 -0.067 0.000 1.012 261 N HN 0.497 nan 8.380 nan 0.000 0.423 262 Q N 0.184 120.005 119.800 0.035 0.000 2.014 262 Q HA -0.151 4.189 4.340 -0.000 0.000 0.207 262 Q C 2.151 178.239 176.000 0.146 0.000 0.993 262 Q CA 2.247 58.103 55.803 0.090 0.000 0.850 262 Q CB -0.333 28.481 28.738 0.127 0.000 0.916 262 Q HN 0.404 nan 8.270 nan 0.000 0.417 263 V N -1.359 118.688 119.914 0.221 0.000 2.626 263 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 263 V C 1.905 178.138 176.094 0.231 0.000 1.067 263 V CA 1.614 64.123 62.300 0.348 0.000 1.081 263 V CB -0.578 31.484 31.823 0.399 0.000 0.686 263 V HN 0.189 nan 8.190 nan 0.000 0.468 264 K N 1.439 121.881 120.400 0.070 0.000 2.002 264 K HA -0.022 4.298 4.320 -0.000 0.000 0.209 264 K C 2.348 178.939 176.600 -0.015 0.000 1.048 264 K CA 1.751 58.011 56.287 -0.045 0.000 0.930 264 K CB -0.922 31.385 32.500 -0.323 0.000 0.714 264 K HN 0.573 nan 8.250 nan 0.000 0.438 265 G N 0.932 109.725 108.800 -0.012 0.000 2.450 265 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 265 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 265 G C 1.427 176.334 174.900 0.012 0.000 1.130 265 G CA 0.815 45.914 45.100 -0.002 0.000 0.760 265 G HN 0.170 nan 8.290 nan 0.000 0.557 266 I N -1.249 119.361 120.570 0.067 0.000 2.429 266 I HA 0.144 4.314 4.170 -0.000 0.000 0.247 266 I C 1.832 177.901 176.117 -0.080 0.000 1.099 266 I CA 0.577 61.881 61.300 0.006 0.000 1.422 266 I CB -0.017 38.032 38.000 0.082 0.000 1.112 266 I HN 0.040 nan 8.210 nan 0.000 0.430 267 F N 0.892 120.737 119.950 -0.174 0.000 2.731 267 F HA 0.368 4.895 4.527 -0.000 0.000 0.298 267 F C 1.500 177.054 175.800 -0.411 0.000 1.106 267 F CA 0.070 57.840 58.000 -0.383 0.000 1.329 267 F CB -0.400 38.029 39.000 -0.953 0.000 1.100 267 F HN 0.112 nan 8.300 nan 0.000 0.592 268 G N 1.223 109.948 108.800 -0.125 0.000 2.385 268 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.294 268 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.294 268 G C -0.479 174.470 174.900 0.082 0.000 1.070 268 G CA -0.581 44.509 45.100 -0.017 0.000 1.172 268 G HN 0.076 nan 8.290 nan 0.000 0.516 269 F N 0.765 120.857 119.950 0.237 0.000 2.411 269 F HA 0.597 5.124 4.527 -0.000 0.000 0.355 269 F C 1.161 177.097 175.800 0.227 0.000 1.117 269 F CA -0.453 57.702 58.000 0.258 0.000 1.139 269 F CB 1.513 40.722 39.000 0.350 0.000 1.120 269 F HN 0.199 nan 8.300 nan 0.000 0.493 270 T N 0.495 115.279 114.554 0.382 0.000 2.754 270 T HA 0.119 4.469 4.350 -0.000 0.000 0.286 270 T C 0.766 175.624 174.700 0.263 0.000 0.997 270 T CA -0.393 61.861 62.100 0.257 0.000 0.982 270 T CB 0.632 69.601 68.868 0.169 0.000 1.027 270 T HN 0.563 nan 8.240 nan 0.000 0.529 271 D N 0.435 120.953 120.400 0.196 0.000 2.340 271 D HA 0.136 4.776 4.640 -0.000 0.000 0.220 271 D C 1.679 178.013 176.300 0.056 0.000 1.039 271 D CA 0.344 54.433 54.000 0.148 0.000 0.866 271 D CB 0.059 40.943 40.800 0.140 0.000 0.913 271 D HN 0.401 nan 8.370 nan 0.000 0.523 272 S N -0.171 115.561 115.700 0.053 0.000 2.593 272 S HA -0.006 4.464 4.470 -0.000 0.000 0.217 272 S C 0.215 174.796 174.600 -0.031 0.000 0.966 272 S CA -0.336 57.870 58.200 0.010 0.000 0.914 272 S CB 0.027 63.240 63.200 0.023 0.000 0.776 272 S HN -0.037 nan 8.310 nan 0.000 0.523 273 D N 2.328 122.707 120.400 -0.035 0.000 2.302 273 D HA 0.219 4.859 4.640 -0.000 0.000 0.248 273 D C 0.667 176.852 176.300 -0.193 0.000 1.094 273 D CA -0.306 53.616 54.000 -0.129 0.000 0.897 273 D CB 1.050 41.772 40.800 -0.130 0.000 1.200 273 D HN 0.498 nan 8.370 nan 0.000 0.429 274 C N 1.302 120.454 119.300 -0.246 0.000 2.703 274 C HA 0.196 4.656 4.460 -0.000 0.000 0.411 274 C C 2.451 177.286 174.990 -0.258 0.000 1.290 274 C CA -0.877 58.007 59.018 -0.224 0.000 2.054 274 C CB -0.704 26.901 27.740 -0.225 0.000 2.732 274 C HN 0.711 nan 8.230 nan 0.000 0.650 275 I N 0.577 121.026 120.570 -0.203 0.000 2.700 275 I HA 0.101 4.271 4.170 -0.000 0.000 0.261 275 I C 1.969 177.973 176.117 -0.189 0.000 1.219 275 I CA 1.546 62.722 61.300 -0.207 0.000 1.463 275 I CB -1.298 36.613 38.000 -0.149 0.000 1.092 275 I HN 0.846 nan 8.210 nan 0.000 0.452 276 G N 2.248 110.942 108.800 -0.176 0.000 2.511 276 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 276 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 276 G C 1.682 176.473 174.900 -0.183 0.000 1.218 276 G CA 0.936 45.960 45.100 -0.128 0.000 0.788 276 G HN 0.404 nan 8.290 nan 0.000 0.560 277 K N 0.088 120.232 120.400 -0.427 0.000 2.044 277 K HA -0.068 4.252 4.320 -0.000 0.000 0.210 277 K C 2.472 178.737 176.600 -0.560 0.000 1.049 277 K CA 1.362 57.287 56.287 -0.603 0.000 0.927 277 K CB -0.380 31.482 32.500 -1.063 0.000 0.713 277 K HN 0.338 nan 8.250 nan 0.000 0.443 278 I N 1.394 121.557 120.570 -0.678 0.000 2.248 278 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 278 I C 2.570 178.554 176.117 -0.222 0.000 1.107 278 I CA 1.712 62.639 61.300 -0.621 0.000 1.373 278 I CB -0.494 37.251 38.000 -0.425 0.000 1.055 278 I HN 0.277 nan 8.210 nan 0.000 0.418 279 S N 0.165 115.801 115.700 -0.106 0.000 2.458 279 S HA -0.099 4.371 4.470 -0.000 0.000 0.223 279 S C 1.949 176.620 174.600 0.118 0.000 1.019 279 S CA -0.013 58.198 58.200 0.019 0.000 0.937 279 S CB -0.741 62.481 63.200 0.036 0.000 0.788 279 S HN 0.389 nan 8.310 nan 0.000 0.511 280 F N 4.101 124.062 119.950 0.019 0.000 2.184 280 F HA 0.035 4.562 4.527 -0.000 0.000 0.301 280 F C -1.241 174.631 175.800 0.121 0.000 1.076 280 F CA 0.647 58.727 58.000 0.132 0.000 1.295 280 F CB -1.492 37.675 39.000 0.278 0.000 1.026 280 F HN 0.221 nan 8.300 nan 0.000 0.494 281 P HA -0.207 nan 4.420 nan 0.000 0.218 281 P C 1.502 178.713 177.300 -0.148 0.000 1.146 281 P CA 2.221 65.190 63.100 -0.219 0.000 0.813 281 P CB -0.310 31.217 31.700 -0.287 0.000 0.778 282 A N -0.825 121.943 122.820 -0.087 0.000 1.968 282 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 282 A C 2.009 179.537 177.584 -0.093 0.000 1.169 282 A CA 1.157 53.170 52.037 -0.040 0.000 0.638 282 A CB -1.219 17.780 19.000 -0.003 0.000 0.812 282 A HN 0.037 nan 8.150 nan 0.000 0.446 283 I N 0.846 121.322 120.570 -0.158 0.000 2.202 283 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 283 I C 2.581 178.654 176.117 -0.072 0.000 1.091 283 I CA 1.832 63.098 61.300 -0.057 0.000 1.368 283 I CB -1.620 36.441 38.000 0.102 0.000 1.058 283 I HN 0.685 nan 8.210 nan 0.000 0.410 284 Q N 0.772 120.363 119.800 -0.349 0.000 2.444 284 Q HA 0.163 4.503 4.340 -0.000 0.000 0.206 284 Q C 1.722 177.777 176.000 0.092 0.000 0.948 284 Q CA 0.937 56.718 55.803 -0.037 0.000 0.946 284 Q CB -0.049 28.628 28.738 -0.101 0.000 1.027 284 Q HN 0.399 nan 8.270 nan 0.000 0.513 285 A N 0.851 123.674 122.820 0.005 0.000 2.085 285 A HA 0.441 4.761 4.320 -0.000 0.000 0.208 285 A C 2.221 179.776 177.584 -0.048 0.000 1.191 285 A CA 0.593 52.655 52.037 0.043 0.000 0.799 285 A CB -0.192 18.863 19.000 0.092 0.000 0.877 285 A HN 0.410 nan 8.150 nan 0.000 0.473 286 A N 0.956 123.713 122.820 -0.104 0.000 2.015 286 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 286 A C -0.103 177.335 177.584 -0.243 0.000 1.163 286 A CA 1.490 53.405 52.037 -0.204 0.000 0.646 286 A CB -1.225 17.415 19.000 -0.601 0.000 0.806 286 A HN 0.447 nan 8.150 nan 0.000 0.448 287 P HA -0.022 nan 4.420 nan 0.000 0.234 287 P C 0.812 178.061 177.300 -0.084 0.000 1.167 287 P CA 1.011 64.178 63.100 0.112 0.000 0.763 287 P CB -0.097 31.755 31.700 0.253 0.000 0.835 288 S N -1.070 114.384 115.700 -0.412 0.000 2.603 288 S HA 0.104 4.574 4.470 -0.000 0.000 0.220 288 S C 0.228 174.444 174.600 -0.639 0.000 0.967 288 S CA 0.321 58.188 58.200 -0.555 0.000 0.920 288 S CB -0.539 62.236 63.200 -0.709 0.000 0.773 288 S HN 0.060 nan 8.310 nan 0.000 0.529 289 F N 1.162 121.161 119.950 0.082 0.000 2.477 289 F HA 0.330 4.857 4.527 0.000 0.000 0.335 289 F C 1.458 177.199 175.800 -0.098 0.000 1.130 289 F CA -1.605 56.322 58.000 -0.121 0.000 0.948 289 F CB 1.075 39.827 39.000 -0.413 0.000 1.154 289 F HN -0.049 nan 8.300 nan 0.000 0.439 290 S N 1.791 117.440 115.700 -0.084 0.000 2.390 290 S HA -0.387 4.083 4.470 -0.000 0.000 0.234 290 S C 1.512 176.170 174.600 0.097 0.000 1.063 290 S CA 2.086 60.072 58.200 -0.355 0.000 1.108 290 S CB -1.205 61.613 63.200 -0.637 0.000 0.975 290 S HN 0.850 nan 8.310 nan 0.000 0.442 291 N N 1.034 119.722 118.700 -0.019 0.000 2.635 291 N HA -0.022 4.718 4.740 -0.000 0.000 0.191 291 N C 1.085 176.623 175.510 0.046 0.000 1.155 291 N CA 0.833 53.913 53.050 0.051 0.000 0.927 291 N CB -0.328 38.159 38.487 -0.000 0.000 0.976 291 N HN 0.361 nan 8.380 nan 0.000 0.448 292 S N -0.214 115.469 115.700 -0.028 0.000 2.515 292 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 292 S C -0.351 174.048 174.600 -0.336 0.000 0.987 292 S CA 0.472 58.539 58.200 -0.220 0.000 0.936 292 S CB -0.125 62.798 63.200 -0.461 0.000 0.766 292 S HN 0.344 nan 8.310 nan 0.000 0.528 293 F N 0.623 120.757 119.950 0.307 0.000 2.564 293 F HA 0.387 4.914 4.527 0.000 0.000 0.361 293 F C -2.331 173.551 175.800 0.137 0.000 1.161 293 F CA -2.358 55.795 58.000 0.255 0.000 1.198 293 F CB 1.288 40.390 39.000 0.170 0.000 1.424 293 F HN -0.087 nan 8.300 nan 0.000 0.517 294 P HA -0.135 nan 4.420 nan 0.000 0.217 294 P C 0.916 178.255 177.300 0.064 0.000 1.151 294 P CA 1.267 64.444 63.100 0.130 0.000 0.828 294 P CB 0.212 31.966 31.700 0.091 0.000 0.788 295 Q N -1.371 118.453 119.800 0.040 0.000 2.491 295 Q HA 0.092 4.432 4.340 -0.000 0.000 0.214 295 Q C 1.351 177.264 176.000 -0.146 0.000 0.970 295 Q CA 0.781 56.550 55.803 -0.056 0.000 0.960 295 Q CB -0.431 28.250 28.738 -0.096 0.000 0.996 295 Q HN 0.347 nan 8.270 nan 0.000 0.524 296 I N -3.219 117.244 120.570 -0.178 0.000 4.079 296 I HA 0.042 4.212 4.170 -0.000 0.000 0.276 296 I C 0.167 176.036 176.117 -0.413 0.000 1.146 296 I CA 0.155 61.203 61.300 -0.420 0.000 1.324 296 I CB 0.562 38.066 38.000 -0.828 0.000 1.638 296 I HN 0.028 nan 8.210 nan 0.000 0.436 297 F N 2.190 122.169 119.950 0.049 0.000 2.678 297 F HA 0.263 4.790 4.527 -0.000 0.000 0.305 297 F C 0.591 176.421 175.800 0.049 0.000 1.090 297 F CA -0.732 57.291 58.000 0.039 0.000 1.272 297 F CB -0.252 38.721 39.000 -0.045 0.000 1.060 297 F HN -0.025 nan 8.300 nan 0.000 0.576 298 R N 2.173 122.766 120.500 0.155 0.000 2.291 298 R HA -0.333 4.007 4.340 -0.000 0.000 0.225 298 R C 0.440 176.809 176.300 0.115 0.000 0.858 298 R CA 0.843 57.009 56.100 0.110 0.000 0.796 298 R CB -1.652 28.687 30.300 0.065 0.000 2.134 298 R HN 0.643 nan 8.270 nan 0.000 0.524 299 D N -0.105 120.361 120.400 0.111 0.000 2.382 299 D HA -0.287 4.353 4.640 -0.000 0.000 0.163 299 D C -0.407 175.944 176.300 0.086 0.000 1.469 299 D CA 1.978 56.031 54.000 0.088 0.000 1.338 299 D CB -0.744 40.097 40.800 0.068 0.000 1.241 299 D HN 0.737 nan 8.370 nan 0.000 0.441 300 R N 0.321 120.885 120.500 0.107 0.000 2.678 300 R HA 0.193 4.533 4.340 -0.000 0.000 0.264 300 R C 0.957 177.273 176.300 0.026 0.000 0.995 300 R CA 1.412 57.562 56.100 0.084 0.000 1.098 300 R CB 0.132 30.506 30.300 0.124 0.000 0.949 300 R HN 0.399 nan 8.270 nan 0.000 0.422 301 T N -0.406 114.157 114.554 0.016 0.000 3.016 301 T HA -0.023 4.327 4.350 -0.000 0.000 0.271 301 T C 0.498 175.196 174.700 -0.003 0.000 0.968 301 T CA -0.073 62.015 62.100 -0.021 0.000 0.891 301 T CB 0.306 69.221 68.868 0.078 0.000 1.149 301 T HN 0.630 nan 8.240 nan 0.000 0.524 302 D N 1.128 121.539 120.400 0.018 0.000 2.340 302 D HA 0.076 4.716 4.640 -0.000 0.000 0.217 302 D C 0.414 176.729 176.300 0.025 0.000 1.081 302 D CA -0.216 53.805 54.000 0.035 0.000 0.842 302 D CB -0.200 40.630 40.800 0.049 0.000 0.934 302 D HN 0.374 nan 8.370 nan 0.000 0.511 303 I N 1.744 122.291 120.570 -0.038 0.000 2.278 303 I HA 0.061 4.231 4.170 -0.000 0.000 0.296 303 I C 0.756 176.888 176.117 0.024 0.000 1.121 303 I CA -0.482 60.785 61.300 -0.054 0.000 1.267 303 I CB 0.237 38.069 38.000 -0.280 0.000 1.447 303 I HN -0.082 nan 8.210 nan 0.000 0.509 304 Q N 4.447 124.306 119.800 0.099 0.000 2.428 304 Q HA 0.027 4.367 4.340 -0.000 0.000 0.276 304 Q C -0.592 175.475 176.000 0.111 0.000 1.059 304 Q CA 0.247 56.106 55.803 0.094 0.000 0.923 304 Q CB 1.175 29.928 28.738 0.026 0.000 1.283 304 Q HN 0.742 nan 8.270 nan 0.000 0.447 305 C N 4.042 123.297 119.300 -0.075 0.000 2.411 305 C HA 0.716 5.176 4.460 -0.000 0.000 0.330 305 C C -1.195 173.593 174.990 -0.337 0.000 1.224 305 C CA -0.831 57.921 59.018 -0.444 0.000 1.770 305 C CB 0.489 27.889 27.740 -0.567 0.000 2.297 305 C HN 0.808 nan 8.230 nan 0.000 0.507 306 L N 6.916 127.929 121.223 -0.351 0.000 2.333 306 L HA 0.699 5.039 4.340 -0.000 0.000 0.280 306 L C -0.740 175.962 176.870 -0.281 0.000 1.004 306 L CA -0.127 54.529 54.840 -0.307 0.000 0.820 306 L CB 1.179 43.053 42.059 -0.308 0.000 1.247 306 L HN 0.654 nan 8.230 nan 0.000 0.416 307 I N 7.731 128.113 120.570 -0.313 0.000 2.464 307 I HA 0.346 4.516 4.170 -0.000 0.000 0.277 307 I C -2.250 173.669 176.117 -0.330 0.000 1.040 307 I CA -1.639 59.447 61.300 -0.358 0.000 1.153 307 I CB 1.526 39.188 38.000 -0.563 0.000 1.274 307 I HN 0.458 nan 8.210 nan 0.000 0.469 308 P HA 0.216 nan 4.420 nan 0.000 0.276 308 P C -0.591 176.705 177.300 -0.006 0.000 1.230 308 P CA -0.057 63.069 63.100 0.043 0.000 0.776 308 P CB 1.385 33.184 31.700 0.165 0.000 0.888 309 C N 0.365 119.687 119.300 0.037 0.000 3.293 309 C HA 0.863 5.323 4.460 -0.000 0.000 0.362 309 C C -0.103 174.844 174.990 -0.071 0.000 1.539 309 C CA -1.045 57.966 59.018 -0.012 0.000 1.201 309 C CB 1.190 28.938 27.740 0.013 0.000 1.770 309 C HN 0.645 nan 8.230 nan 0.000 0.440 310 A N 0.603 123.394 122.820 -0.049 0.000 2.322 310 A HA 0.560 4.880 4.320 -0.000 0.000 0.269 310 A C 1.089 178.588 177.584 -0.143 0.000 1.094 310 A CA -0.442 51.506 52.037 -0.148 0.000 0.807 310 A CB 0.106 19.070 19.000 -0.060 0.000 1.047 310 A HN 1.160 nan 8.150 nan 0.000 0.487 311 I N 0.956 121.350 120.570 -0.293 0.000 2.226 311 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 311 I C 1.868 177.643 176.117 -0.569 0.000 1.100 311 I CA 2.447 63.467 61.300 -0.466 0.000 1.374 311 I CB -0.988 36.849 38.000 -0.271 0.000 1.057 311 I HN 0.909 nan 8.210 nan 0.000 0.413 312 D N -0.355 119.890 120.400 -0.259 0.000 2.263 312 D HA -0.252 4.388 4.640 -0.000 0.000 0.208 312 D C 1.840 177.984 176.300 -0.260 0.000 0.971 312 D CA 0.990 54.897 54.000 -0.155 0.000 0.867 312 D CB -0.759 40.216 40.800 0.290 0.000 0.929 312 D HN 0.448 nan 8.370 nan 0.000 0.492 313 Q N -0.339 119.389 119.800 -0.119 0.000 2.488 313 Q HA -0.089 4.251 4.340 -0.000 0.000 0.211 313 Q C 1.059 177.013 176.000 -0.078 0.000 0.967 313 Q CA 0.801 56.627 55.803 0.038 0.000 0.926 313 Q CB -0.044 28.838 28.738 0.241 0.000 0.992 313 Q HN 0.397 nan 8.270 nan 0.000 0.506 314 D N 0.940 121.159 120.400 -0.302 0.000 2.133 314 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 314 D C -0.972 175.182 176.300 -0.244 0.000 0.997 314 D CA 1.297 55.153 54.000 -0.239 0.000 0.840 314 D CB -0.393 40.004 40.800 -0.670 0.000 0.947 314 D HN 0.156 nan 8.370 nan 0.000 0.452 315 P HA -0.141 nan 4.420 nan 0.000 0.218 315 P C 0.703 177.705 177.300 -0.496 0.000 1.148 315 P CA 1.115 63.946 63.100 -0.448 0.000 0.822 315 P CB -0.134 31.219 31.700 -0.578 0.000 0.784 316 Y N -2.165 117.965 120.300 -0.283 0.000 2.242 316 Y HA -0.061 4.489 4.550 -0.000 0.000 0.291 316 Y C 1.967 177.687 175.900 -0.300 0.000 1.137 316 Y CA 0.818 58.664 58.100 -0.423 0.000 1.181 316 Y CB -1.592 36.498 38.460 -0.616 0.000 0.989 316 Y HN -0.065 nan 8.280 nan 0.000 0.527 317 F N -0.695 119.299 119.950 0.075 0.000 2.780 317 F HA 0.080 4.607 4.527 -0.000 0.000 0.299 317 F C 2.309 178.141 175.800 0.053 0.000 1.146 317 F CA 0.264 58.310 58.000 0.078 0.000 1.428 317 F CB -0.415 38.609 39.000 0.041 0.000 1.115 317 F HN -0.096 nan 8.300 nan 0.000 0.583 318 R N 0.591 121.171 120.500 0.134 0.000 2.083 318 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 318 R C 2.344 178.715 176.300 0.118 0.000 1.137 318 R CA 1.714 57.868 56.100 0.090 0.000 0.951 318 R CB -0.397 29.911 30.300 0.015 0.000 0.851 318 R HN 0.318 nan 8.270 nan 0.000 0.434 319 M N 0.220 119.901 119.600 0.135 0.000 2.065 319 M HA -0.174 4.306 4.480 -0.000 0.000 0.259 319 M C 1.671 178.087 176.300 0.194 0.000 1.071 319 M CA 2.375 57.781 55.300 0.175 0.000 1.109 319 M CB -0.419 32.329 32.600 0.247 0.000 1.313 319 M HN 0.125 nan 8.290 nan 0.000 0.408 320 T N 0.708 115.395 114.554 0.222 0.000 2.720 320 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 320 T C 1.816 176.674 174.700 0.264 0.000 1.037 320 T CA 1.823 64.076 62.100 0.254 0.000 1.144 320 T CB -0.413 68.601 68.868 0.243 0.000 0.864 320 T HN 0.490 nan 8.240 nan 0.000 0.444 321 R N 0.738 121.363 120.500 0.207 0.000 2.092 321 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 321 R C 2.181 178.565 176.300 0.139 0.000 1.119 321 R CA 1.355 57.556 56.100 0.168 0.000 0.970 321 R CB -0.206 30.164 30.300 0.117 0.000 0.864 321 R HN 0.331 nan 8.270 nan 0.000 0.440 322 D N -0.170 120.303 120.400 0.122 0.000 2.178 322 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 322 D C 1.896 178.237 176.300 0.070 0.000 0.974 322 D CA 1.260 55.312 54.000 0.085 0.000 0.841 322 D CB 0.004 40.853 40.800 0.081 0.000 0.953 322 D HN 0.204 nan 8.370 nan 0.000 0.478 323 V N -1.602 118.372 119.914 0.099 0.000 2.788 323 V HA 0.166 4.286 4.120 -0.000 0.000 0.251 323 V C 2.255 178.336 176.094 -0.021 0.000 1.068 323 V CA 0.929 63.249 62.300 0.034 0.000 1.090 323 V CB -0.653 31.218 31.823 0.081 0.000 0.710 323 V HN 0.079 nan 8.190 nan 0.000 0.467 324 A N 1.883 124.776 122.820 0.121 0.000 1.894 324 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 324 A C 0.746 178.284 177.584 -0.077 0.000 1.237 324 A CA 2.889 54.994 52.037 0.113 0.000 0.660 324 A CB -2.257 16.951 19.000 0.348 0.000 0.835 324 A HN 0.623 nan 8.150 nan 0.000 0.461 325 P HA -0.142 nan 4.420 nan 0.000 0.214 325 P C 1.389 178.578 177.300 -0.185 0.000 1.162 325 P CA 1.353 64.404 63.100 -0.082 0.000 0.879 325 P CB -0.227 31.450 31.700 -0.038 0.000 0.786 326 R N -0.038 120.340 120.500 -0.202 0.000 2.276 326 R HA -0.121 4.219 4.340 -0.000 0.000 0.243 326 R C 1.591 177.604 176.300 -0.478 0.000 1.161 326 R CA 1.243 57.160 56.100 -0.307 0.000 1.007 326 R CB -0.890 29.217 30.300 -0.321 0.000 0.867 326 R HN 0.387 nan 8.270 nan 0.000 0.472 327 I N -4.355 115.895 120.570 -0.533 0.000 3.856 327 I HA 0.392 4.562 4.170 -0.000 0.000 0.330 327 I C 0.410 176.024 176.117 -0.838 0.000 1.546 327 I CA -0.084 60.812 61.300 -0.673 0.000 1.132 327 I CB 0.800 38.358 38.000 -0.736 0.000 1.157 327 I HN 0.040 nan 8.210 nan 0.000 0.440 328 G N 1.364 109.851 108.800 -0.521 0.000 2.246 328 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 328 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 328 G C -0.592 174.165 174.900 -0.238 0.000 1.055 328 G CA 0.318 45.202 45.100 -0.359 0.000 0.851 328 G HN 0.493 nan 8.290 nan 0.000 0.500 329 Y N -0.931 119.247 120.300 -0.202 0.000 2.605 329 Y HA 0.659 5.209 4.550 -0.000 0.000 0.343 329 Y C -2.119 173.773 175.900 -0.013 0.000 1.036 329 Y CA -3.211 54.793 58.100 -0.160 0.000 1.065 329 Y CB 1.675 39.865 38.460 -0.450 0.000 1.288 329 Y HN 0.017 nan 8.280 nan 0.000 0.481 330 P HA 0.193 nan 4.420 nan 0.000 0.281 330 P C -1.041 176.420 177.300 0.270 0.000 1.252 330 P CA -0.539 62.675 63.100 0.191 0.000 0.778 330 P CB 1.128 32.907 31.700 0.133 0.000 0.895 331 K N 4.753 125.265 120.400 0.187 0.000 2.485 331 K HA 0.130 4.450 4.320 -0.000 0.000 0.277 331 K C -1.837 174.814 176.600 0.085 0.000 0.990 331 K CA -1.205 55.187 56.287 0.175 0.000 0.994 331 K CB -0.443 32.116 32.500 0.097 0.000 0.906 331 K HN 0.431 nan 8.250 nan 0.000 0.488 332 P HA 0.082 nan 4.420 nan 0.000 0.286 332 P C -0.921 176.301 177.300 -0.131 0.000 1.269 332 P CA -0.322 62.721 63.100 -0.094 0.000 0.787 332 P CB 1.286 32.888 31.700 -0.163 0.000 0.920 333 A N 4.588 127.301 122.820 -0.177 0.000 2.366 333 A HA 0.535 4.855 4.320 -0.000 0.000 0.249 333 A C 0.060 177.476 177.584 -0.281 0.000 1.084 333 A CA -0.243 51.670 52.037 -0.208 0.000 0.794 333 A CB -0.093 18.773 19.000 -0.223 0.000 1.034 333 A HN 0.581 nan 8.150 nan 0.000 0.491 334 L N 0.061 121.098 121.223 -0.311 0.000 2.350 334 L HA 0.585 4.925 4.340 -0.000 0.000 0.260 334 L C -0.949 175.673 176.870 -0.413 0.000 1.015 334 L CA -0.472 54.111 54.840 -0.428 0.000 0.821 334 L CB 1.860 43.602 42.059 -0.529 0.000 1.370 334 L HN 0.544 nan 8.230 nan 0.000 0.416 335 L N 2.125 123.142 121.223 -0.344 0.000 2.415 335 L HA 0.433 4.773 4.340 -0.000 0.000 0.268 335 L C -0.864 175.940 176.870 -0.112 0.000 0.984 335 L CA -0.681 54.095 54.840 -0.107 0.000 0.853 335 L CB 1.181 43.364 42.059 0.207 0.000 1.215 335 L HN 0.525 nan 8.230 nan 0.000 0.419 336 H N 1.409 120.368 119.070 -0.184 0.000 2.582 336 H HA 0.396 4.952 4.556 -0.000 0.000 0.345 336 H C 0.144 174.975 175.328 -0.827 0.000 1.104 336 H CA -0.301 55.455 56.048 -0.486 0.000 1.390 336 H CB 1.777 31.147 29.762 -0.654 0.000 1.461 336 H HN 0.565 nan 8.280 nan 0.000 0.551 337 S N 1.278 116.472 115.700 -0.845 0.000 2.704 337 S HA 0.486 4.956 4.470 -0.000 0.000 0.305 337 S C 0.529 174.826 174.600 -0.505 0.000 1.107 337 S CA -0.654 56.847 58.200 -1.166 0.000 0.993 337 S CB 1.738 63.970 63.200 -1.613 0.000 1.110 337 S HN 0.694 nan 8.310 nan 0.000 0.534 338 T N -1.081 113.178 114.554 -0.491 0.000 2.833 338 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 338 T C -0.332 174.157 174.700 -0.351 0.000 1.031 338 T CA -0.613 61.104 62.100 -0.638 0.000 0.937 338 T CB -0.367 67.929 68.868 -0.954 0.000 1.256 338 T HN 0.448 nan 8.240 nan 0.000 0.551 339 F N 0.167 120.238 119.950 0.201 0.000 2.375 339 F HA 0.509 5.036 4.527 -0.000 0.000 0.333 339 F C 0.110 176.004 175.800 0.157 0.000 1.104 339 F CA -1.483 56.623 58.000 0.177 0.000 1.149 339 F CB 0.480 39.593 39.000 0.188 0.000 1.190 339 F HN 0.490 nan 8.300 nan 0.000 0.533 340 F N 4.787 124.797 119.950 0.099 0.000 2.424 340 F HA 0.458 4.985 4.527 -0.000 0.000 0.356 340 F C -2.270 173.528 175.800 -0.004 0.000 1.110 340 F CA -3.120 54.770 58.000 -0.184 0.000 1.161 340 F CB 0.397 39.173 39.000 -0.373 0.000 1.115 340 F HN 0.253 nan 8.300 nan 0.000 0.507 341 P HA 0.106 nan 4.420 nan 0.000 0.265 341 P C -1.025 176.227 177.300 -0.080 0.000 1.187 341 P CA 0.007 63.008 63.100 -0.164 0.000 0.766 341 P CB 0.545 32.193 31.700 -0.086 0.000 0.820 342 A N 2.750 125.572 122.820 0.003 0.000 2.351 342 A HA 0.112 4.432 4.320 -0.000 0.000 0.257 342 A C 1.314 178.912 177.584 0.023 0.000 1.087 342 A CA -0.321 51.729 52.037 0.022 0.000 0.798 342 A CB -0.227 18.759 19.000 -0.024 0.000 1.033 342 A HN 0.593 nan 8.150 nan 0.000 0.488 343 L N 0.475 121.709 121.223 0.017 0.000 1.997 343 L HA -0.145 4.195 4.340 -0.000 0.000 0.216 343 L C 1.543 178.406 176.870 -0.013 0.000 1.074 343 L CA 2.156 56.971 54.840 -0.042 0.000 0.763 343 L CB -0.723 41.303 42.059 -0.054 0.000 0.890 343 L HN 0.818 nan 8.230 nan 0.000 0.434 344 Q N -0.021 119.782 119.800 0.004 0.000 2.230 344 Q HA 0.489 4.829 4.340 -0.000 0.000 0.253 344 Q C 0.324 176.291 176.000 -0.055 0.000 0.919 344 Q CA -0.203 55.627 55.803 0.045 0.000 0.908 344 Q CB 0.607 29.369 28.738 0.040 0.000 1.245 344 Q HN 0.381 nan 8.270 nan 0.000 0.437 345 G N 0.889 109.582 108.800 -0.179 0.000 2.978 345 G HA2 0.043 4.003 3.960 -0.000 0.000 0.686 345 G HA3 0.043 4.003 3.960 -0.000 0.000 0.686 345 G C -0.340 174.397 174.900 -0.272 0.000 1.288 345 G CA -0.404 44.359 45.100 -0.562 0.000 1.026 345 G HN 1.134 nan 8.290 nan 0.000 0.587 346 A N 2.784 125.435 122.820 -0.281 0.000 2.395 346 A HA 0.607 4.927 4.320 -0.000 0.000 0.286 346 A C 1.154 178.689 177.584 -0.082 0.000 1.193 346 A CA 1.086 53.090 52.037 -0.054 0.000 0.852 346 A CB 0.182 19.205 19.000 0.038 0.000 1.118 346 A HN 1.796 nan 8.150 nan 0.000 0.524 347 Q N 0.953 120.726 119.800 -0.045 0.000 2.434 347 Q HA -0.112 4.228 4.340 -0.000 0.000 0.288 347 Q C -0.020 175.905 176.000 -0.125 0.000 1.372 347 Q CA 1.374 57.136 55.803 -0.068 0.000 0.731 347 Q CB -2.430 26.261 28.738 -0.079 0.000 1.126 347 Q HN 0.900 nan 8.270 nan 0.000 0.398 348 T N 0.178 114.671 114.554 -0.101 0.000 2.923 348 T HA 0.514 4.864 4.350 -0.000 0.000 0.281 348 T C 0.552 175.205 174.700 -0.078 0.000 0.995 348 T CA -0.723 61.314 62.100 -0.106 0.000 0.985 348 T CB 1.284 70.091 68.868 -0.102 0.000 1.114 348 T HN 0.063 nan 8.240 nan 0.000 0.548 349 K N 1.301 121.659 120.400 -0.070 0.000 2.201 349 K HA 0.485 4.805 4.320 -0.000 0.000 0.278 349 K C -0.120 176.467 176.600 -0.023 0.000 1.027 349 K CA -0.249 56.016 56.287 -0.037 0.000 0.909 349 K CB 1.015 33.492 32.500 -0.038 0.000 1.062 349 K HN 0.449 nan 8.250 nan 0.000 0.465 350 M N 0.845 120.446 119.600 0.003 0.000 2.527 350 M HA 0.352 4.832 4.480 -0.000 0.000 0.283 350 M C 0.071 176.360 176.300 -0.018 0.000 1.188 350 M CA -0.343 54.933 55.300 -0.041 0.000 0.941 350 M CB 1.617 34.164 32.600 -0.088 0.000 1.498 350 M HN 0.879 nan 8.290 nan 0.000 0.510 351 S N -1.049 114.619 115.700 -0.055 0.000 2.690 351 S HA 0.493 4.963 4.470 -0.000 0.000 0.264 351 S C -0.586 174.053 174.600 0.065 0.000 1.040 351 S CA -0.442 57.773 58.200 0.025 0.000 0.869 351 S CB 0.642 63.861 63.200 0.031 0.000 1.132 351 S HN 0.775 nan 8.310 nan 0.000 0.474 352 A N 0.705 123.595 122.820 0.116 0.000 2.348 352 A HA 0.417 4.737 4.320 -0.000 0.000 0.224 352 A C 1.936 179.580 177.584 0.101 0.000 1.227 352 A CA 0.963 53.101 52.037 0.169 0.000 0.885 352 A CB -0.902 18.120 19.000 0.036 0.000 0.933 352 A HN 1.566 nan 8.150 nan 0.000 0.506 353 S N 0.372 116.108 115.700 0.060 0.000 2.383 353 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 353 S C 0.160 174.781 174.600 0.035 0.000 1.026 353 S CA 0.905 59.126 58.200 0.035 0.000 0.981 353 S CB -0.233 62.981 63.200 0.023 0.000 0.818 353 S HN 0.463 nan 8.310 nan 0.000 0.472 354 D N 3.131 123.550 120.400 0.032 0.000 2.472 354 D HA 0.267 4.907 4.640 -0.000 0.000 0.234 354 D C -2.079 174.229 176.300 0.012 0.000 1.088 354 D CA -1.888 52.112 54.000 0.001 0.000 0.882 354 D CB 1.477 42.254 40.800 -0.038 0.000 1.037 354 D HN 0.228 nan 8.370 nan 0.000 0.520 355 P HA -0.134 nan 4.420 nan 0.000 0.231 355 P C -0.069 177.163 177.300 -0.113 0.000 1.154 355 P CA 0.697 63.881 63.100 0.139 0.000 0.762 355 P CB 0.244 32.046 31.700 0.169 0.000 0.790 356 N N -1.042 117.534 118.700 -0.206 0.000 2.541 356 N HA 0.139 4.879 4.740 -0.000 0.000 0.297 356 N C 0.495 175.813 175.510 -0.320 0.000 1.503 356 N CA -0.078 52.740 53.050 -0.385 0.000 0.919 356 N CB 0.465 38.554 38.487 -0.664 0.000 1.305 356 N HN -0.109 nan 8.380 nan 0.000 0.501 357 S N -1.446 114.092 115.700 -0.271 0.000 2.524 357 S HA 0.281 4.751 4.470 -0.000 0.000 0.222 357 S C 0.367 174.836 174.600 -0.219 0.000 1.040 357 S CA -0.159 57.918 58.200 -0.205 0.000 0.915 357 S CB 0.664 63.765 63.200 -0.164 0.000 0.831 357 S HN 0.245 nan 8.310 nan 0.000 0.492 358 S N -0.020 115.460 115.700 -0.367 0.000 2.615 358 S HA 0.562 5.032 4.470 -0.000 0.000 0.268 358 S C -2.141 172.157 174.600 -0.502 0.000 1.146 358 S CA -0.657 57.366 58.200 -0.294 0.000 0.818 358 S CB 0.444 63.430 63.200 -0.358 0.000 1.111 358 S HN 0.051 nan 8.310 nan 0.000 0.465 359 I N 3.200 123.645 120.570 -0.208 0.000 2.371 359 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 359 I C -0.458 175.545 176.117 -0.190 0.000 1.028 359 I CA 0.124 61.299 61.300 -0.208 0.000 1.345 359 I CB 0.172 38.173 38.000 0.001 0.000 1.407 359 I HN 0.390 nan 8.210 nan 0.000 0.501 360 F N 5.248 125.217 119.950 0.032 0.000 2.375 360 F HA 0.277 4.804 4.527 -0.000 0.000 0.333 360 F C 1.243 177.036 175.800 -0.011 0.000 1.104 360 F CA -0.721 57.292 58.000 0.021 0.000 1.149 360 F CB 0.453 39.462 39.000 0.014 0.000 1.190 360 F HN 0.295 nan 8.300 nan 0.000 0.533 361 L N 1.027 122.353 121.223 0.171 0.000 2.700 361 L HA -0.062 4.278 4.340 -0.000 0.000 0.240 361 L C 1.416 178.343 176.870 0.095 0.000 1.162 361 L CA 0.717 55.571 54.840 0.023 0.000 0.874 361 L CB -0.828 41.136 42.059 -0.159 0.000 1.001 361 L HN 0.749 nan 8.230 nan 0.000 0.447 362 T N -2.121 112.521 114.554 0.147 0.000 3.040 362 T HA 0.080 4.430 4.350 -0.000 0.000 0.266 362 T C 0.402 175.174 174.700 0.119 0.000 1.005 362 T CA -0.383 61.785 62.100 0.113 0.000 0.906 362 T CB 0.149 69.055 68.868 0.063 0.000 1.082 362 T HN 0.123 nan 8.240 nan 0.000 0.531 363 D N 2.643 123.130 120.400 0.146 0.000 2.313 363 D HA 0.285 4.925 4.640 -0.000 0.000 0.247 363 D C 0.782 177.125 176.300 0.072 0.000 1.094 363 D CA 0.143 54.212 54.000 0.116 0.000 0.925 363 D CB 1.423 42.289 40.800 0.111 0.000 1.188 363 D HN 0.337 nan 8.370 nan 0.000 0.430 364 T N -2.475 112.115 114.554 0.060 0.000 2.824 364 T HA 0.481 4.831 4.350 -0.000 0.000 0.277 364 T C 1.333 176.054 174.700 0.035 0.000 0.975 364 T CA -0.391 61.735 62.100 0.044 0.000 0.966 364 T CB 1.173 70.064 68.868 0.038 0.000 1.054 364 T HN 0.256 nan 8.240 nan 0.000 0.533 365 A N 0.319 123.156 122.820 0.028 0.000 1.940 365 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 365 A C 2.355 179.952 177.584 0.021 0.000 1.176 365 A CA 1.945 53.995 52.037 0.022 0.000 0.631 365 A CB -0.942 18.069 19.000 0.019 0.000 0.814 365 A HN 0.944 nan 8.150 nan 0.000 0.446 366 K N -0.752 119.662 120.400 0.023 0.000 2.097 366 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 366 K C 2.273 178.888 176.600 0.025 0.000 1.050 366 K CA 1.451 57.751 56.287 0.021 0.000 0.938 366 K CB -0.150 32.362 32.500 0.021 0.000 0.718 366 K HN 0.632 nan 8.250 nan 0.000 0.442 367 Q N 0.297 120.117 119.800 0.034 0.000 2.079 367 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 367 Q C 2.079 178.100 176.000 0.034 0.000 0.974 367 Q CA 1.576 57.404 55.803 0.042 0.000 0.840 367 Q CB -0.029 28.742 28.738 0.055 0.000 0.898 367 Q HN 0.341 nan 8.270 nan 0.000 0.430 368 I N 0.709 121.296 120.570 0.028 0.000 2.179 368 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 368 I C 2.506 178.632 176.117 0.015 0.000 1.088 368 I CA 1.130 62.442 61.300 0.020 0.000 1.357 368 I CB -0.339 37.672 38.000 0.018 0.000 1.051 368 I HN 0.179 nan 8.210 nan 0.000 0.409 369 K N 0.928 121.336 120.400 0.013 0.000 2.001 369 K HA -0.257 4.063 4.320 -0.000 0.000 0.214 369 K C 2.236 178.834 176.600 -0.003 0.000 1.050 369 K CA 2.729 59.018 56.287 0.005 0.000 0.934 369 K CB -0.321 32.182 32.500 0.006 0.000 0.718 369 K HN 0.461 nan 8.250 nan 0.000 0.443 370 T N -0.706 113.850 114.554 0.004 0.000 2.684 370 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 370 T C 1.871 176.571 174.700 -0.000 0.000 1.036 370 T CA 1.461 63.558 62.100 -0.005 0.000 1.148 370 T CB -0.285 68.590 68.868 0.011 0.000 0.863 370 T HN 0.273 nan 8.240 nan 0.000 0.436 371 K N 0.584 121.014 120.400 0.050 0.000 2.044 371 K HA -0.075 4.245 4.320 -0.000 0.000 0.210 371 K C 2.432 179.067 176.600 0.057 0.000 1.049 371 K CA 1.668 58.029 56.287 0.124 0.000 0.927 371 K CB -0.633 31.909 32.500 0.069 0.000 0.713 371 K HN 0.278 nan 8.250 nan 0.000 0.443 372 V N 1.949 121.861 119.914 -0.004 0.000 2.358 372 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 372 V C 1.934 177.987 176.094 -0.067 0.000 1.047 372 V CA 1.611 63.882 62.300 -0.048 0.000 1.035 372 V CB -0.529 31.266 31.823 -0.047 0.000 0.658 372 V HN 0.325 nan 8.190 nan 0.000 0.452 373 N N 0.286 118.948 118.700 -0.064 0.000 2.084 373 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 373 N C 1.907 177.341 175.510 -0.126 0.000 1.030 373 N CA 1.616 54.618 53.050 -0.081 0.000 0.849 373 N CB -0.218 38.230 38.487 -0.065 0.000 1.012 373 N HN 0.506 nan 8.380 nan 0.000 0.423 374 K N -0.270 120.014 120.400 -0.194 0.000 2.076 374 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 374 K C 1.381 177.710 176.600 -0.452 0.000 1.051 374 K CA 0.952 57.019 56.287 -0.367 0.000 0.949 374 K CB 0.120 32.290 32.500 -0.551 0.000 0.726 374 K HN 0.296 nan 8.250 nan 0.000 0.443 375 H N -0.484 118.560 119.070 -0.043 0.000 2.557 375 H HA 0.230 4.786 4.556 0.000 0.000 0.281 375 H C 0.296 175.602 175.328 -0.037 0.000 0.990 375 H CA 0.424 56.450 56.048 -0.037 0.000 1.278 375 H CB 0.020 29.753 29.762 -0.048 0.000 1.451 375 H HN 0.152 nan 8.280 nan 0.000 0.516 376 A N 2.367 125.195 122.820 0.013 0.000 2.566 376 A HA -0.018 4.302 4.320 -0.000 0.000 0.245 376 A C -0.150 177.441 177.584 0.012 0.000 1.056 376 A CA -0.039 51.968 52.037 -0.051 0.000 0.757 376 A CB -0.906 18.005 19.000 -0.148 0.000 0.979 376 A HN 0.251 nan 8.150 nan 0.000 0.508 377 F N 3.407 123.311 119.950 -0.076 0.000 2.518 377 F HA 0.378 4.905 4.527 0.000 0.000 0.359 377 F C 0.829 176.610 175.800 -0.031 0.000 1.118 377 F CA 0.692 58.666 58.000 -0.043 0.000 1.287 377 F CB 0.790 39.770 39.000 -0.033 0.000 1.132 377 F HN 0.497 nan 8.300 nan 0.000 0.587 378 S N 3.066 118.198 115.700 -0.946 0.000 2.509 378 S HA 0.606 5.076 4.470 -0.000 0.000 0.297 378 S C 0.427 174.565 174.600 -0.770 0.000 1.118 378 S CA -0.150 57.673 58.200 -0.628 0.000 1.074 378 S CB 1.104 64.074 63.200 -0.383 0.000 1.038 378 S HN 0.990 nan 8.310 nan 0.000 0.498 379 G N 2.476 111.135 108.800 -0.234 0.000 3.707 379 G HA2 0.508 4.468 3.960 -0.000 0.000 0.286 379 G HA3 0.508 4.468 3.960 -0.000 0.000 0.286 379 G C 0.314 175.189 174.900 -0.043 0.000 1.112 379 G CA -0.179 44.875 45.100 -0.078 0.000 0.861 379 G HN 0.921 nan 8.290 nan 0.000 0.534 380 G N 0.080 108.790 108.800 -0.149 0.000 2.448 380 G HA2 0.534 4.494 3.960 -0.000 0.000 0.324 380 G HA3 0.534 4.494 3.960 -0.000 0.000 0.324 380 G C -0.008 174.671 174.900 -0.368 0.000 1.203 380 G CA -0.854 44.051 45.100 -0.325 0.000 0.954 380 G HN 0.102 nan 8.290 nan 0.000 0.480 381 R N 0.650 120.961 120.500 -0.315 0.000 2.862 381 R HA -0.006 4.334 4.340 -0.000 0.000 0.267 381 R C 0.309 176.447 176.300 -0.269 0.000 0.995 381 R CA 0.072 56.025 56.100 -0.246 0.000 1.140 381 R CB 0.482 30.683 30.300 -0.164 0.000 1.031 381 R HN 0.623 nan 8.270 nan 0.000 0.459 382 D N 0.042 120.322 120.400 -0.200 0.000 2.333 382 D HA -0.024 4.616 4.640 -0.000 0.000 0.208 382 D C 0.241 176.464 176.300 -0.127 0.000 0.984 382 D CA 0.914 54.819 54.000 -0.158 0.000 0.873 382 D CB 0.331 41.056 40.800 -0.126 0.000 0.935 382 D HN 0.549 nan 8.370 nan 0.000 0.521 383 T N -1.261 113.220 114.554 -0.123 0.000 2.807 383 T HA 0.367 4.717 4.350 -0.000 0.000 0.279 383 T C 1.190 175.877 174.700 -0.022 0.000 0.993 383 T CA -0.776 61.280 62.100 -0.074 0.000 0.970 383 T CB 2.310 71.130 68.868 -0.080 0.000 0.950 383 T HN -0.098 nan 8.240 nan 0.000 0.441 384 I N 1.107 121.682 120.570 0.009 0.000 2.335 384 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 384 I C 1.892 178.047 176.117 0.062 0.000 1.129 384 I CA 1.722 63.062 61.300 0.066 0.000 1.402 384 I CB 0.089 38.115 38.000 0.045 0.000 1.069 384 I HN 0.715 nan 8.210 nan 0.000 0.424 385 E N 0.750 120.969 120.200 0.032 0.000 2.047 385 E HA -0.279 4.071 4.350 -0.000 0.000 0.191 385 E C 2.033 178.678 176.600 0.075 0.000 0.987 385 E CA 1.595 58.019 56.400 0.040 0.000 0.799 385 E CB -0.261 29.454 29.700 0.026 0.000 0.752 385 E HN 0.582 nan 8.360 nan 0.000 0.449 386 E N -0.271 119.946 120.200 0.029 0.000 2.106 386 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 386 E C 1.762 178.435 176.600 0.122 0.000 0.984 386 E CA 0.800 57.188 56.400 -0.019 0.000 0.806 386 E CB -0.054 29.427 29.700 -0.365 0.000 0.750 386 E HN 0.270 nan 8.360 nan 0.000 0.458 387 H N 0.245 119.285 119.070 -0.051 0.000 2.545 387 H HA 0.031 4.587 4.556 -0.000 0.000 0.282 387 H C 1.627 176.947 175.328 -0.013 0.000 1.020 387 H CA 0.985 56.999 56.048 -0.056 0.000 1.243 387 H CB 0.238 29.945 29.762 -0.091 0.000 1.377 387 H HN 0.006 nan 8.280 nan 0.000 0.581 388 R N -0.135 120.370 120.500 0.009 0.000 2.075 388 R HA -0.018 4.322 4.340 -0.000 0.000 0.220 388 R C 2.230 178.514 176.300 -0.027 0.000 1.118 388 R CA 1.485 57.550 56.100 -0.057 0.000 0.986 388 R CB -0.354 29.940 30.300 -0.011 0.000 0.884 388 R HN 0.708 nan 8.270 nan 0.000 0.439 389 Q N -1.269 118.576 119.800 0.076 0.000 2.339 389 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 389 Q C 1.327 177.287 176.000 -0.067 0.000 0.925 389 Q CA 0.734 56.531 55.803 -0.010 0.000 0.898 389 Q CB -0.038 28.674 28.738 -0.044 0.000 1.013 389 Q HN 0.117 nan 8.270 nan 0.000 0.504 390 F N 1.408 121.314 119.950 -0.073 0.000 2.220 390 F HA 0.338 4.865 4.527 -0.000 0.000 0.290 390 F C 1.648 177.386 175.800 -0.103 0.000 1.080 390 F CA 1.072 59.032 58.000 -0.066 0.000 1.318 390 F CB -0.363 38.614 39.000 -0.037 0.000 1.063 390 F HN 0.314 nan 8.300 nan 0.000 0.498 391 G N -0.435 108.405 108.800 0.066 0.000 2.632 391 G HA2 0.205 4.165 3.960 -0.000 0.000 0.224 391 G HA3 0.205 4.165 3.960 -0.000 0.000 0.224 391 G C -0.092 174.763 174.900 -0.076 0.000 1.341 391 G CA -0.621 44.379 45.100 -0.166 0.000 0.880 391 G HN 0.785 nan 8.290 nan 0.000 0.566 392 G N -0.296 108.323 108.800 -0.301 0.000 2.642 392 G HA2 0.751 4.711 3.960 -0.000 0.000 0.293 392 G HA3 0.751 4.711 3.960 -0.000 0.000 0.293 392 G C -0.568 174.224 174.900 -0.180 0.000 1.341 392 G CA 0.298 45.206 45.100 -0.320 0.000 0.916 392 G HN 1.483 nan 8.290 nan 0.000 0.474 393 N N -0.252 118.434 118.700 -0.024 0.000 2.408 393 N HA 0.144 4.884 4.740 -0.000 0.000 0.280 393 N C 0.884 176.458 175.510 0.107 0.000 1.002 393 N CA -0.564 52.502 53.050 0.026 0.000 0.907 393 N CB 1.689 40.197 38.487 0.035 0.000 1.161 393 N HN 0.295 nan 8.380 nan 0.000 0.488 394 C N 1.670 120.973 119.300 0.005 0.000 2.457 394 C HA -0.043 4.417 4.460 -0.000 0.000 0.278 394 C C 1.686 176.766 174.990 0.151 0.000 1.309 394 C CA 0.354 59.334 59.018 -0.063 0.000 1.735 394 C CB -0.970 26.275 27.740 -0.825 0.000 1.992 394 C HN 0.733 nan 8.230 nan 0.000 0.493 395 D N 1.085 121.552 120.400 0.112 0.000 2.315 395 D HA -0.106 4.534 4.640 -0.000 0.000 0.211 395 D C 1.895 178.297 176.300 0.169 0.000 0.977 395 D CA 1.523 55.612 54.000 0.149 0.000 0.894 395 D CB -0.078 40.779 40.800 0.095 0.000 0.910 395 D HN 0.577 nan 8.370 nan 0.000 0.490 396 V N -3.568 116.460 119.914 0.191 0.000 3.548 396 V HA 0.143 4.263 4.120 -0.000 0.000 0.279 396 V C 0.320 176.612 176.094 0.330 0.000 1.446 396 V CA -0.395 62.055 62.300 0.250 0.000 1.023 396 V CB 0.486 32.479 31.823 0.283 0.000 0.820 396 V HN -0.128 nan 8.190 nan 0.000 0.438 397 D N 1.223 121.767 120.400 0.240 0.000 2.338 397 D HA 0.192 4.832 4.640 -0.000 0.000 0.255 397 D C 1.316 177.722 176.300 0.177 0.000 1.237 397 D CA 0.416 54.516 54.000 0.167 0.000 0.883 397 D CB 1.996 42.887 40.800 0.152 0.000 1.087 397 D HN 0.101 nan 8.370 nan 0.000 0.485 398 V N 3.862 123.862 119.914 0.144 0.000 2.282 398 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 398 V C 2.546 178.607 176.094 -0.056 0.000 1.057 398 V CA 1.669 63.995 62.300 0.044 0.000 1.032 398 V CB -0.614 31.176 31.823 -0.054 0.000 0.645 398 V HN 0.553 nan 8.190 nan 0.000 0.447 399 S N -0.480 115.150 115.700 -0.117 0.000 2.369 399 S HA -0.277 4.193 4.470 -0.000 0.000 0.225 399 S C 1.790 176.408 174.600 0.030 0.000 1.043 399 S CA 2.342 60.474 58.200 -0.114 0.000 1.074 399 S CB -0.558 62.568 63.200 -0.123 0.000 0.962 399 S HN 0.608 nan 8.310 nan 0.000 0.433 400 F N 1.778 121.683 119.950 -0.075 0.000 2.202 400 F HA -0.109 4.418 4.527 -0.000 0.000 0.301 400 F C 2.114 177.977 175.800 0.105 0.000 1.082 400 F CA 1.348 59.336 58.000 -0.021 0.000 1.313 400 F CB -0.338 38.627 39.000 -0.059 0.000 1.024 400 F HN 0.175 nan 8.300 nan 0.000 0.495 401 M N -1.542 118.165 119.600 0.178 0.000 2.175 401 M HA -0.238 4.242 4.480 -0.000 0.000 0.264 401 M C 1.954 178.422 176.300 0.281 0.000 1.063 401 M CA 1.453 56.873 55.300 0.200 0.000 1.119 401 M CB -0.778 31.981 32.600 0.265 0.000 1.377 401 M HN 0.123 nan 8.290 nan 0.000 0.415 402 Y N 0.938 121.265 120.300 0.044 0.000 2.224 402 Y HA -0.139 4.411 4.550 0.000 0.000 0.289 402 Y C 2.170 178.198 175.900 0.214 0.000 1.146 402 Y CA 1.069 59.278 58.100 0.182 0.000 1.182 402 Y CB -0.894 37.701 38.460 0.225 0.000 0.983 402 Y HN 0.174 nan 8.280 nan 0.000 0.524 403 L N -1.237 120.077 121.223 0.152 0.000 2.083 403 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 403 L C 2.223 179.036 176.870 -0.096 0.000 1.083 403 L CA 1.709 56.543 54.840 -0.009 0.000 0.752 403 L CB -1.077 40.831 42.059 -0.252 0.000 0.899 403 L HN 0.132 nan 8.230 nan 0.000 0.433 404 T N -0.256 114.170 114.554 -0.213 0.000 2.778 404 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 404 T C 1.495 176.103 174.700 -0.153 0.000 1.050 404 T CA 1.606 63.569 62.100 -0.227 0.000 1.137 404 T CB -0.243 68.472 68.868 -0.256 0.000 0.860 404 T HN 0.162 nan 8.240 nan 0.000 0.468 405 F N -0.620 119.250 119.950 -0.133 0.000 2.317 405 F HA 0.287 4.814 4.527 -0.000 0.000 0.290 405 F C 1.423 177.117 175.800 -0.176 0.000 1.075 405 F CA 0.287 58.161 58.000 -0.209 0.000 1.380 405 F CB -0.087 38.447 39.000 -0.778 0.000 1.093 405 F HN 0.120 nan 8.300 nan 0.000 0.524 406 F N -0.949 119.252 119.950 0.417 0.000 2.704 406 F HA 0.275 4.802 4.527 -0.000 0.000 0.304 406 F C 0.367 176.210 175.800 0.071 0.000 1.094 406 F CA -0.452 57.703 58.000 0.259 0.000 1.275 406 F CB -0.194 38.942 39.000 0.226 0.000 1.073 406 F HN -0.273 nan 8.300 nan 0.000 0.586 407 L N 1.015 122.304 121.223 0.109 0.000 2.283 407 L HA 0.279 4.619 4.340 -0.000 0.000 0.287 407 L C 1.136 177.871 176.870 -0.224 0.000 1.073 407 L CA -0.041 54.784 54.840 -0.024 0.000 0.822 407 L CB 0.607 42.644 42.059 -0.037 0.000 1.186 407 L HN 0.061 nan 8.230 nan 0.000 0.436 408 E N 1.981 122.038 120.200 -0.237 0.000 2.072 408 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 408 E C -0.072 176.355 176.600 -0.289 0.000 0.982 408 E CA 0.852 57.013 56.400 -0.398 0.000 0.803 408 E CB 0.225 29.784 29.700 -0.234 0.000 0.755 408 E HN 0.799 nan 8.360 nan 0.000 0.453 409 D N 0.420 120.725 120.400 -0.157 0.000 2.339 409 D HA -0.043 4.597 4.640 -0.000 0.000 0.256 409 D C 0.310 176.557 176.300 -0.088 0.000 1.214 409 D CA 0.081 54.019 54.000 -0.103 0.000 0.877 409 D CB 0.693 41.460 40.800 -0.056 0.000 1.111 409 D HN 0.012 nan 8.370 nan 0.000 0.478 410 D N 3.340 123.692 120.400 -0.080 0.000 2.087 410 D HA -0.180 4.460 4.640 -0.000 0.000 0.192 410 D C 1.074 177.367 176.300 -0.012 0.000 0.993 410 D CA 1.059 55.029 54.000 -0.049 0.000 0.828 410 D CB 0.035 40.813 40.800 -0.038 0.000 0.968 410 D HN 0.598 nan 8.370 nan 0.000 0.448 411 D N 0.753 121.148 120.400 -0.008 0.000 2.172 411 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 411 D C 1.902 178.215 176.300 0.021 0.000 0.999 411 D CA 0.959 54.964 54.000 0.009 0.000 0.856 411 D CB -0.169 40.633 40.800 0.004 0.000 0.934 411 D HN 0.303 nan 8.370 nan 0.000 0.453 412 K N 0.152 120.560 120.400 0.013 0.000 2.116 412 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 412 K C 2.175 178.806 176.600 0.051 0.000 1.052 412 K CA 0.177 56.479 56.287 0.026 0.000 0.952 412 K CB -0.021 32.486 32.500 0.012 0.000 0.729 412 K HN -0.002 nan 8.250 nan 0.000 0.446 413 L N 1.531 122.776 121.223 0.037 0.000 2.056 413 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 413 L C 2.139 179.117 176.870 0.181 0.000 1.078 413 L CA 1.816 56.699 54.840 0.070 0.000 0.749 413 L CB -0.386 41.669 42.059 -0.007 0.000 0.901 413 L HN 0.157 nan 8.230 nan 0.000 0.433 414 E N -0.302 119.972 120.200 0.124 0.000 2.072 414 E HA -0.287 4.063 4.350 -0.000 0.000 0.191 414 E C 2.198 178.866 176.600 0.114 0.000 0.985 414 E CA 1.704 58.181 56.400 0.128 0.000 0.801 414 E CB -0.367 29.378 29.700 0.074 0.000 0.750 414 E HN 0.673 nan 8.360 nan 0.000 0.452 415 Q N 0.066 119.919 119.800 0.089 0.000 2.077 415 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 415 Q C 2.281 178.342 176.000 0.100 0.000 0.989 415 Q CA 2.169 58.017 55.803 0.074 0.000 0.853 415 Q CB -0.281 28.491 28.738 0.057 0.000 0.907 415 Q HN 0.426 nan 8.270 nan 0.000 0.418 416 I N 0.241 120.899 120.570 0.147 0.000 2.226 416 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 416 I C 2.850 179.081 176.117 0.191 0.000 1.100 416 I CA 1.236 62.650 61.300 0.189 0.000 1.374 416 I CB -0.481 37.668 38.000 0.248 0.000 1.057 416 I HN 0.291 nan 8.210 nan 0.000 0.413 417 R N 1.522 122.151 120.500 0.215 0.000 2.082 417 R HA -0.250 4.090 4.340 -0.000 0.000 0.234 417 R C 2.370 178.644 176.300 -0.043 0.000 1.136 417 R CA 2.071 58.128 56.100 -0.072 0.000 0.935 417 R CB -0.243 30.079 30.300 0.036 0.000 0.842 417 R HN 0.225 nan 8.270 nan 0.000 0.430 418 K N 0.000 120.411 120.400 0.018 0.000 2.032 418 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 418 K C 1.592 178.195 176.600 0.004 0.000 1.048 418 K CA 2.146 58.435 56.287 0.003 0.000 0.927 418 K CB -0.066 32.443 32.500 0.014 0.000 0.712 418 K HN 0.206 nan 8.250 nan 0.000 0.441 419 D N -0.624 119.799 120.400 0.037 0.000 2.149 419 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 419 D C 1.683 178.013 176.300 0.051 0.000 0.972 419 D CA 0.847 54.867 54.000 0.035 0.000 0.835 419 D CB -0.232 40.601 40.800 0.056 0.000 0.966 419 D HN 0.252 nan 8.370 nan 0.000 0.476 420 Y N 1.717 121.985 120.300 -0.054 0.000 2.242 420 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 420 Y C 2.277 178.128 175.900 -0.081 0.000 1.137 420 Y CA 1.305 59.374 58.100 -0.052 0.000 1.181 420 Y CB -0.343 38.090 38.460 -0.046 0.000 0.989 420 Y HN -0.118 nan 8.280 nan 0.000 0.527 421 T N -0.871 113.642 114.554 -0.068 0.000 2.812 421 T HA -0.149 4.201 4.350 -0.000 0.000 0.264 421 T C 2.022 176.639 174.700 -0.138 0.000 1.042 421 T CA 1.682 63.706 62.100 -0.128 0.000 1.140 421 T CB -0.553 68.263 68.868 -0.087 0.000 0.870 421 T HN 0.506 nan 8.240 nan 0.000 0.445 422 S N 0.393 116.028 115.700 -0.109 0.000 2.555 422 S HA 0.257 4.727 4.470 -0.000 0.000 0.230 422 S C 1.961 176.470 174.600 -0.152 0.000 0.978 422 S CA 0.879 59.016 58.200 -0.106 0.000 0.934 422 S CB -0.456 62.702 63.200 -0.070 0.000 0.766 422 S HN 0.740 nan 8.310 nan 0.000 0.533 423 G N 0.914 109.566 108.800 -0.246 0.000 2.268 423 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.240 423 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.240 423 G C 1.191 175.911 174.900 -0.299 0.000 1.010 423 G CA 0.332 45.198 45.100 -0.391 0.000 0.618 423 G HN 1.304 nan 8.290 nan 0.000 0.516 424 A N -0.275 122.453 122.820 -0.152 0.000 1.997 424 A HA 0.285 4.605 4.320 -0.000 0.000 0.221 424 A C 1.501 179.059 177.584 -0.043 0.000 1.172 424 A CA 2.109 54.099 52.037 -0.078 0.000 0.645 424 A CB -0.136 18.841 19.000 -0.038 0.000 0.813 424 A HN 1.073 nan 8.150 nan 0.000 0.454 425 M N 0.668 120.258 119.600 -0.017 0.000 2.268 425 M HA 0.483 4.963 4.480 -0.000 0.000 0.344 425 M C -1.131 175.275 176.300 0.176 0.000 1.106 425 M CA -0.490 54.873 55.300 0.105 0.000 1.010 425 M CB 0.934 33.655 32.600 0.201 0.000 1.649 425 M HN 0.171 nan 8.290 nan 0.000 0.443 426 L N 2.620 123.977 121.223 0.223 0.000 2.421 426 L HA 0.210 4.550 4.340 -0.000 0.000 0.263 426 L C 1.484 178.627 176.870 0.456 0.000 1.122 426 L CA -0.166 54.900 54.840 0.376 0.000 0.804 426 L CB 1.364 43.557 42.059 0.223 0.000 1.150 426 L HN 0.840 nan 8.230 nan 0.000 0.457 427 T N 1.582 116.402 114.554 0.444 0.000 2.803 427 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 427 T C 1.529 176.286 174.700 0.096 0.000 1.052 427 T CA 1.940 64.217 62.100 0.295 0.000 1.136 427 T CB -0.109 68.787 68.868 0.048 0.000 0.864 427 T HN 0.855 nan 8.240 nan 0.000 0.467 428 G N 0.127 108.971 108.800 0.072 0.000 2.511 428 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.217 428 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.217 428 G C 1.423 176.344 174.900 0.034 0.000 1.133 428 G CA 0.425 45.542 45.100 0.028 0.000 0.792 428 G HN 0.617 nan 8.290 nan 0.000 0.539 429 E N -0.317 119.925 120.200 0.069 0.000 2.371 429 E HA 0.158 4.508 4.350 -0.000 0.000 0.194 429 E C 2.184 178.809 176.600 0.041 0.000 1.012 429 E CA -0.147 56.289 56.400 0.059 0.000 0.860 429 E CB 0.097 29.846 29.700 0.081 0.000 0.811 429 E HN 0.365 nan 8.360 nan 0.000 0.502 430 L N 0.759 121.994 121.223 0.021 0.000 2.127 430 L HA -0.087 4.253 4.340 -0.000 0.000 0.203 430 L C 1.952 178.790 176.870 -0.052 0.000 1.080 430 L CA 1.004 55.807 54.840 -0.061 0.000 0.768 430 L CB 0.139 42.025 42.059 -0.289 0.000 0.924 430 L HN -0.051 nan 8.230 nan 0.000 0.444 431 K N 0.372 120.744 120.400 -0.047 0.000 2.057 431 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 431 K C 2.015 178.606 176.600 -0.016 0.000 1.049 431 K CA 1.477 57.739 56.287 -0.043 0.000 0.931 431 K CB -0.160 32.313 32.500 -0.045 0.000 0.714 431 K HN 0.092 nan 8.250 nan 0.000 0.440 432 K N -0.006 120.392 120.400 -0.003 0.000 2.032 432 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 432 K C 1.980 178.589 176.600 0.015 0.000 1.048 432 K CA 1.430 57.722 56.287 0.007 0.000 0.927 432 K CB -0.215 32.293 32.500 0.013 0.000 0.712 432 K HN 0.168 nan 8.250 nan 0.000 0.441 433 A N 0.924 123.755 122.820 0.019 0.000 1.908 433 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 433 A C 2.029 179.634 177.584 0.036 0.000 1.181 433 A CA 1.572 53.626 52.037 0.028 0.000 0.627 433 A CB -0.648 18.372 19.000 0.033 0.000 0.818 433 A HN 0.394 nan 8.150 nan 0.000 0.445 434 L N -0.047 121.196 121.223 0.034 0.000 2.072 434 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 434 L C 2.121 179.027 176.870 0.060 0.000 1.079 434 L CA 1.573 56.452 54.840 0.065 0.000 0.752 434 L CB -0.522 41.572 42.059 0.057 0.000 0.906 434 L HN 0.425 nan 8.230 nan 0.000 0.436 435 I N -0.464 120.125 120.570 0.031 0.000 2.361 435 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 435 I C 2.163 178.295 176.117 0.025 0.000 1.133 435 I CA 1.188 62.502 61.300 0.024 0.000 1.413 435 I CB -0.378 37.629 38.000 0.011 0.000 1.073 435 I HN 0.369 nan 8.210 nan 0.000 0.424 436 E N 0.184 120.400 120.200 0.027 0.000 2.274 436 E HA -0.110 4.239 4.350 -0.000 0.000 0.194 436 E C 2.173 178.791 176.600 0.030 0.000 0.996 436 E CA 0.764 57.179 56.400 0.025 0.000 0.840 436 E CB 0.227 29.942 29.700 0.025 0.000 0.772 436 E HN 0.340 nan 8.360 nan 0.000 0.491 437 V N 0.676 120.616 119.914 0.043 0.000 2.685 437 V HA -0.112 4.008 4.120 -0.000 0.000 0.244 437 V C 2.032 178.137 176.094 0.017 0.000 1.054 437 V CA 0.854 63.186 62.300 0.053 0.000 1.076 437 V CB -0.149 31.739 31.823 0.108 0.000 0.725 437 V HN 0.230 nan 8.190 nan 0.000 0.467 438 L N -0.386 120.841 121.223 0.007 0.000 2.072 438 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 438 L C 2.676 179.519 176.870 -0.045 0.000 1.079 438 L CA 1.405 56.211 54.840 -0.057 0.000 0.752 438 L CB -0.729 41.324 42.059 -0.011 0.000 0.906 438 L HN 0.336 nan 8.230 nan 0.000 0.436 439 Q N 0.330 120.124 119.800 -0.010 0.000 2.061 439 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 439 Q C -0.458 175.542 176.000 0.000 0.000 0.984 439 Q CA 1.721 57.524 55.803 -0.000 0.000 0.846 439 Q CB -1.141 27.602 28.738 0.009 0.000 0.902 439 Q HN 0.481 nan 8.270 nan 0.000 0.421 440 P HA -0.140 nan 4.420 nan 0.000 0.220 440 P C 1.501 178.804 177.300 0.005 0.000 1.152 440 P CA 0.877 63.982 63.100 0.008 0.000 0.812 440 P CB 0.003 31.711 31.700 0.013 0.000 0.792 441 L N 0.001 121.211 121.223 -0.021 0.000 2.012 441 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 441 L C 2.526 179.386 176.870 -0.018 0.000 1.073 441 L CA 1.875 56.690 54.840 -0.042 0.000 0.748 441 L CB -1.141 40.820 42.059 -0.164 0.000 0.891 441 L HN -0.196 nan 8.230 nan 0.000 0.431 442 I N -0.960 119.590 120.570 -0.033 0.000 2.500 442 I HA -0.171 3.999 4.170 -0.000 0.000 0.252 442 I C 2.481 178.633 176.117 0.057 0.000 1.142 442 I CA 0.861 62.165 61.300 0.006 0.000 1.451 442 I CB -0.500 37.493 38.000 -0.013 0.000 1.093 442 I HN 0.331 nan 8.210 nan 0.000 0.430 443 A N 0.921 123.764 122.820 0.037 0.000 1.930 443 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 443 A C 2.190 179.800 177.584 0.043 0.000 1.175 443 A CA 1.897 53.957 52.037 0.039 0.000 0.627 443 A CB -0.470 18.546 19.000 0.026 0.000 0.815 443 A HN 0.458 nan 8.150 nan 0.000 0.443 444 E N -0.034 120.193 120.200 0.044 0.000 2.058 444 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 444 E C 1.949 178.580 176.600 0.052 0.000 0.997 444 E CA 1.995 58.420 56.400 0.041 0.000 0.801 444 E CB -0.717 29.009 29.700 0.042 0.000 0.746 444 E HN 0.717 nan 8.360 nan 0.000 0.450 445 H N 0.315 119.379 119.070 -0.010 0.000 2.357 445 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 445 H C 1.962 177.285 175.328 -0.010 0.000 1.082 445 H CA 1.953 57.993 56.048 -0.013 0.000 1.342 445 H CB 0.064 29.817 29.762 -0.016 0.000 1.389 445 H HN 0.346 nan 8.280 nan 0.000 0.511 446 Q N -0.140 119.736 119.800 0.127 0.000 2.170 446 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 446 Q C 2.381 178.371 176.000 -0.015 0.000 0.976 446 Q CA 1.207 57.050 55.803 0.067 0.000 0.858 446 Q CB 0.057 28.845 28.738 0.083 0.000 0.907 446 Q HN 0.514 nan 8.270 nan 0.000 0.433 447 A N 0.877 123.687 122.820 -0.017 0.000 1.843 447 A HA -0.120 4.200 4.320 -0.000 0.000 0.213 447 A C 1.962 179.513 177.584 -0.054 0.000 1.202 447 A CA 1.018 53.041 52.037 -0.023 0.000 0.607 447 A CB -0.432 18.564 19.000 -0.006 0.000 0.847 447 A HN 0.169 nan 8.150 nan 0.000 0.445 448 R N -0.398 120.056 120.500 -0.077 0.000 2.159 448 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 448 R C 2.359 178.571 176.300 -0.147 0.000 1.131 448 R CA 1.597 57.639 56.100 -0.097 0.000 0.982 448 R CB -0.219 30.021 30.300 -0.100 0.000 0.868 448 R HN 0.582 nan 8.270 nan 0.000 0.453 449 R N 0.713 121.080 120.500 -0.222 0.000 2.057 449 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 449 R C 1.464 177.702 176.300 -0.104 0.000 1.136 449 R CA 1.432 57.398 56.100 -0.223 0.000 0.952 449 R CB -0.017 30.119 30.300 -0.274 0.000 0.848 449 R HN 0.087 nan 8.270 nan 0.000 0.430 450 K N 0.504 120.862 120.400 -0.070 0.000 2.520 450 K HA -0.146 4.174 4.320 -0.000 0.000 0.197 450 K C 0.731 177.317 176.600 -0.023 0.000 1.044 450 K CA 1.204 57.471 56.287 -0.033 0.000 0.938 450 K CB 0.033 32.522 32.500 -0.019 0.000 0.767 450 K HN 0.444 nan 8.250 nan 0.000 0.481 451 E N 0.469 120.652 120.200 -0.029 0.000 2.465 451 E HA 0.047 4.397 4.350 -0.000 0.000 0.195 451 E C -0.723 175.879 176.600 0.003 0.000 1.028 451 E CA -0.167 56.227 56.400 -0.009 0.000 0.899 451 E CB 0.809 30.504 29.700 -0.009 0.000 1.032 451 E HN -0.078 nan 8.360 nan 0.000 0.468 452 V N 2.735 122.646 119.914 -0.006 0.000 2.368 452 V HA 0.083 4.203 4.120 -0.000 0.000 0.266 452 V C 0.610 176.719 176.094 0.026 0.000 1.045 452 V CA -0.473 61.837 62.300 0.016 0.000 0.899 452 V CB 0.713 32.527 31.823 -0.015 0.000 1.006 452 V HN 0.216 nan 8.190 nan 0.000 0.470 453 T N 0.327 114.909 114.554 0.046 0.000 2.909 453 T HA 0.185 4.535 4.350 -0.000 0.000 0.289 453 T C 0.870 175.603 174.700 0.054 0.000 1.005 453 T CA -0.687 61.438 62.100 0.043 0.000 1.084 453 T CB 1.170 70.062 68.868 0.041 0.000 0.975 453 T HN 0.565 nan 8.240 nan 0.000 0.509 454 D N 1.489 121.916 120.400 0.045 0.000 2.228 454 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 454 D C 1.654 177.993 176.300 0.065 0.000 0.988 454 D CA 1.321 55.352 54.000 0.051 0.000 0.864 454 D CB 0.119 40.946 40.800 0.044 0.000 0.928 454 D HN 0.712 nan 8.370 nan 0.000 0.469 455 E N 0.326 120.560 120.200 0.058 0.000 2.107 455 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 455 E C 2.287 178.931 176.600 0.074 0.000 0.982 455 E CA 0.248 56.681 56.400 0.055 0.000 0.809 455 E CB -0.178 29.544 29.700 0.037 0.000 0.756 455 E HN 0.353 nan 8.360 nan 0.000 0.459 456 I N 0.020 120.649 120.570 0.099 0.000 2.142 456 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 456 I C 2.056 178.351 176.117 0.297 0.000 1.078 456 I CA 0.759 62.162 61.300 0.171 0.000 1.343 456 I CB -0.331 37.794 38.000 0.208 0.000 1.046 456 I HN -0.009 nan 8.210 nan 0.000 0.405 457 V N 1.177 121.220 119.914 0.214 0.000 2.233 457 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 457 V C 2.544 178.752 176.094 0.191 0.000 1.050 457 V CA 2.312 64.722 62.300 0.184 0.000 1.010 457 V CB -0.802 31.069 31.823 0.079 0.000 0.637 457 V HN 0.393 nan 8.190 nan 0.000 0.444 458 K N 0.658 121.141 120.400 0.138 0.000 2.113 458 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 458 K C 2.065 178.746 176.600 0.135 0.000 1.047 458 K CA 2.238 58.603 56.287 0.131 0.000 0.928 458 K CB -0.438 32.121 32.500 0.098 0.000 0.716 458 K HN 0.616 nan 8.250 nan 0.000 0.446 459 E N -1.123 119.143 120.200 0.111 0.000 2.028 459 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 459 E C 1.725 178.372 176.600 0.078 0.000 0.984 459 E CA 1.057 57.482 56.400 0.042 0.000 0.800 459 E CB -0.246 29.416 29.700 -0.064 0.000 0.758 459 E HN 0.335 nan 8.360 nan 0.000 0.448 460 F N 0.521 120.521 119.950 0.083 0.000 2.236 460 F HA -0.161 4.366 4.527 0.000 0.000 0.302 460 F C 2.033 177.948 175.800 0.192 0.000 1.073 460 F CA 1.252 59.316 58.000 0.108 0.000 1.336 460 F CB -0.006 39.027 39.000 0.056 0.000 1.040 460 F HN 0.110 nan 8.300 nan 0.000 0.507 461 M N -1.103 118.714 119.600 0.361 0.000 2.419 461 M HA 0.105 4.585 4.480 -0.000 0.000 0.252 461 M C -0.040 176.529 176.300 0.448 0.000 1.143 461 M CA 0.233 55.749 55.300 0.359 0.000 0.985 461 M CB -0.042 32.689 32.600 0.219 0.000 1.489 461 M HN -0.284 nan 8.290 nan 0.000 0.484 462 T N 4.079 118.829 114.554 0.328 0.000 2.733 462 T HA 0.310 4.660 4.350 -0.000 0.000 0.294 462 T C -2.349 172.352 174.700 0.001 0.000 0.956 462 T CA -1.225 60.986 62.100 0.185 0.000 0.987 462 T CB 0.923 69.840 68.868 0.083 0.000 0.920 462 T HN 0.090 nan 8.240 nan 0.000 0.470 463 P HA 0.167 nan 4.420 nan 0.000 0.268 463 P C -0.314 176.781 177.300 -0.341 0.000 1.204 463 P CA -0.131 62.619 63.100 -0.583 0.000 0.768 463 P CB 0.621 32.197 31.700 -0.206 0.000 0.842 464 R N 0.691 120.939 120.500 -0.421 0.000 2.728 464 R HA 0.338 4.678 4.340 -0.000 0.000 0.274 464 R C -1.247 174.918 176.300 -0.224 0.000 1.032 464 R CA -0.993 54.967 56.100 -0.232 0.000 0.866 464 R CB 0.725 30.927 30.300 -0.164 0.000 1.263 464 R HN 0.228 nan 8.270 nan 0.000 0.475 465 K N 1.948 122.263 120.400 -0.142 0.000 2.355 465 K HA 0.395 4.715 4.320 -0.000 0.000 0.270 465 K C -0.017 176.531 176.600 -0.087 0.000 1.003 465 K CA -0.226 55.995 56.287 -0.110 0.000 0.957 465 K CB 0.445 32.899 32.500 -0.077 0.000 0.939 465 K HN 0.543 nan 8.250 nan 0.000 0.482 466 L N -1.747 119.457 121.223 -0.033 0.000 2.472 466 L HA 0.511 4.851 4.340 -0.000 0.000 0.260 466 L C -0.492 176.472 176.870 0.156 0.000 0.963 466 L CA -1.024 53.834 54.840 0.030 0.000 0.829 466 L CB 2.103 44.167 42.059 0.009 0.000 1.348 466 L HN 0.615 nan 8.230 nan 0.000 0.408 467 S N 1.462 117.219 115.700 0.094 0.000 2.610 467 S HA 0.905 5.375 4.470 -0.000 0.000 0.273 467 S C -0.525 174.205 174.600 0.217 0.000 1.274 467 S CA -0.413 57.787 58.200 0.001 0.000 1.023 467 S CB 1.138 64.297 63.200 -0.069 0.000 0.962 467 S HN 0.805 nan 8.310 nan 0.000 0.523 468 F N -2.409 117.532 119.950 -0.015 0.000 2.842 468 F HA 0.533 5.060 4.527 -0.000 0.000 0.319 468 F C -1.277 174.540 175.800 0.028 0.000 1.159 468 F CA -1.477 56.529 58.000 0.010 0.000 0.902 468 F CB -0.289 38.726 39.000 0.025 0.000 1.311 468 F HN 0.363 nan 8.300 nan 0.000 0.453 469 D N 0.998 121.560 120.400 0.270 0.000 2.449 469 D HA 0.287 4.927 4.640 -0.000 0.000 0.236 469 D C -0.287 176.202 176.300 0.315 0.000 1.149 469 D CA 0.897 54.992 54.000 0.158 0.000 0.878 469 D CB -0.074 40.954 40.800 0.380 0.000 1.198 469 D HN 0.579 nan 8.370 nan 0.000 0.446 470 F N -0.680 119.306 119.950 0.059 0.000 2.773 470 F HA -0.255 4.272 4.527 -0.000 0.000 0.251 470 F C 0.914 176.728 175.800 0.023 0.000 1.020 470 F CA 0.321 58.350 58.000 0.047 0.000 0.924 470 F CB -1.629 37.433 39.000 0.104 0.000 0.919 470 F HN 0.360 nan 8.300 nan 0.000 0.846 471 Q N 0.000 119.747 119.800 -0.089 0.000 2.315 471 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 471 Q CA 0.000 55.636 55.803 -0.278 0.000 1.022 471 Q CB 0.000 28.338 28.738 -0.666 0.000 1.108 471 Q HN 0.000 nan 8.270 nan 0.000 0.481