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 1t9a_1_A DATA FIRST_RESID 84 DATA SEQUENCE DMDTSFVGLT GGQIFNEMMS RQNVDTVFGY PGGAILPVYD AIHNSDKFNF DATA SEQUENCE VLPKHEQGAG HMAEGYARAS GKPGVVLVTS GPGATNVVTP MADAFADGIP DATA SEQUENCE MVVFTGQVPT SAIGTDAFQE ADVVGISRSC TKWNVMVKSV EELPLRINEA DATA SEQUENCE FEIATSGRPG PVLVDLPKDV TAAILRNPIP TKTTLPXXXX XXXTSRAQDE DATA SEQUENCE FVMQSINKAA DLINLAKKPV LYVGAGILNH ADGPRLLKEL SDRAQIPVTT DATA SEQUENCE TLQGLGSFDQ EDPKSLDMLG MHGCATANLA VQNADLIIAV GARFDDRVTG DATA SEQUENCE NISKFAPEAR RAAAEGRGGI IHFEVSPKNI NKVVQTQIAV EGDATTNLGK DATA SEQUENCE MMSKIFPVKE RSEWFAQINK WKKEYPYAYM EETPGSKIKP QTVIKKLSKV DATA SEQUENCE ANDTGRHVIV TTGVGQHQMW AAQHWTWRNP HTFITSGGLG TMGYGLPAAI DATA SEQUENCE GAQVAKPESL VIDIDGDASF NMTLTELSSA VQAGTPVKIL ILNNEEQGMV DATA SEQUENCE TQWQSLFYEH RYSHTHQLNP DFIKLAEAMG LKGLRVKKQE ELDAKLKEFV DATA SEQUENCE STKGPVLLEV EVDKKVPVLP MVAGGSGLDE FINFDPEVER QQTELRHKRT DATA SEQUENCE GGKH 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 84 D HA 0.000 nan 4.640 nan 0.000 0.175 84 D C 0.000 176.290 176.300 -0.017 0.000 2.045 84 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 84 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 85 M N 1.489 121.077 119.600 -0.021 0.000 2.530 85 M HA 0.407 4.887 4.480 0.000 0.000 0.307 85 M C -1.271 175.004 176.300 -0.041 0.000 1.161 85 M CA -0.697 54.589 55.300 -0.023 0.000 0.903 85 M CB 1.521 34.113 32.600 -0.013 0.000 1.711 85 M HN 0.451 nan 8.290 nan 0.000 0.451 86 D N 0.464 120.831 120.400 -0.055 0.000 2.391 86 D HA 0.498 5.138 4.640 0.000 0.000 0.245 86 D C 0.526 176.779 176.300 -0.079 0.000 1.069 86 D CA -0.109 53.832 54.000 -0.098 0.000 0.831 86 D CB 1.479 42.178 40.800 -0.168 0.000 1.204 86 D HN 0.709 nan 8.370 nan 0.000 0.503 87 T N -0.865 113.646 114.554 -0.072 0.000 3.044 87 T HA 0.035 4.385 4.350 0.000 0.000 0.260 87 T C 1.598 176.284 174.700 -0.023 0.000 1.019 87 T CA 0.411 62.493 62.100 -0.029 0.000 0.921 87 T CB -0.228 68.633 68.868 -0.012 0.000 1.053 87 T HN 0.251 nan 8.240 nan 0.000 0.533 88 S N 0.729 116.370 115.700 -0.098 0.000 2.465 88 S HA 0.044 4.514 4.470 0.000 0.000 0.241 88 S C 1.373 176.043 174.600 0.116 0.000 1.000 88 S CA 0.399 58.558 58.200 -0.068 0.000 0.964 88 S CB -1.085 62.004 63.200 -0.185 0.000 0.763 88 S HN 0.656 nan 8.310 nan 0.000 0.512 89 F N 0.999 120.954 119.950 0.009 0.000 2.731 89 F HA 0.294 4.821 4.527 0.000 0.000 0.298 89 F C 0.461 176.270 175.800 0.015 0.000 1.106 89 F CA -0.706 57.302 58.000 0.013 0.000 1.329 89 F CB 0.493 39.503 39.000 0.017 0.000 1.100 89 F HN -0.015 nan 8.300 nan 0.000 0.592 90 V N 1.513 121.540 119.914 0.189 0.000 2.509 90 V HA 0.117 4.237 4.120 0.000 0.000 0.297 90 V C 1.044 177.192 176.094 0.089 0.000 1.014 90 V CA 1.622 63.989 62.300 0.112 0.000 1.127 90 V CB -0.036 31.829 31.823 0.070 0.000 0.925 90 V HN 0.662 nan 8.190 nan 0.000 0.480 91 G N 3.871 112.712 108.800 0.069 0.000 2.278 91 G HA2 -0.172 3.788 3.960 0.000 0.000 0.210 91 G HA3 -0.172 3.788 3.960 0.000 0.000 0.210 91 G C 0.034 174.956 174.900 0.037 0.000 1.000 91 G CA -0.122 45.007 45.100 0.048 0.000 0.635 91 G HN 0.535 nan 8.290 nan 0.000 0.495 92 L N 1.990 123.237 121.223 0.041 0.000 2.439 92 L HA 0.612 4.952 4.340 0.000 0.000 0.259 92 L C 1.524 178.387 176.870 -0.012 0.000 1.129 92 L CA -0.141 54.700 54.840 0.001 0.000 0.803 92 L CB 0.987 43.021 42.059 -0.042 0.000 1.161 92 L HN 0.403 nan 8.230 nan 0.000 0.462 93 T N -2.355 112.183 114.554 -0.027 0.000 2.862 93 T HA 0.273 4.623 4.350 0.000 0.000 0.276 93 T C 1.167 175.845 174.700 -0.037 0.000 0.974 93 T CA -0.196 61.892 62.100 -0.020 0.000 0.966 93 T CB 1.418 70.276 68.868 -0.016 0.000 1.072 93 T HN 0.676 nan 8.240 nan 0.000 0.538 94 G N 0.025 108.814 108.800 -0.019 0.000 2.418 94 G HA2 0.016 3.976 3.960 0.000 0.000 0.217 94 G HA3 0.016 3.976 3.960 0.000 0.000 0.217 94 G C 1.577 176.472 174.900 -0.008 0.000 1.158 94 G CA 0.603 45.696 45.100 -0.012 0.000 0.771 94 G HN 1.007 nan 8.290 nan 0.000 0.545 95 G N 0.288 109.078 108.800 -0.017 0.000 2.440 95 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 95 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 95 G C 1.816 176.734 174.900 0.030 0.000 1.154 95 G CA 1.123 46.217 45.100 -0.010 0.000 0.767 95 G HN 0.524 nan 8.290 nan 0.000 0.552 96 Q N -0.319 119.468 119.800 -0.021 0.000 2.119 96 Q HA 0.060 4.400 4.340 0.000 0.000 0.201 96 Q C 2.575 178.493 176.000 -0.136 0.000 0.972 96 Q CA 0.764 56.538 55.803 -0.049 0.000 0.847 96 Q CB -0.144 28.559 28.738 -0.059 0.000 0.903 96 Q HN 0.521 nan 8.270 nan 0.000 0.433 97 I N 0.047 120.487 120.570 -0.217 0.000 2.252 97 I HA -0.260 3.910 4.170 0.000 0.000 0.245 97 I C 2.121 178.083 176.117 -0.257 0.000 1.102 97 I CA 0.983 62.006 61.300 -0.461 0.000 1.385 97 I CB -0.207 37.530 38.000 -0.438 0.000 1.064 97 I HN 0.168 nan 8.210 nan 0.000 0.414 98 F N 2.139 121.956 119.950 -0.222 0.000 2.069 98 F HA -0.338 4.189 4.527 0.000 0.000 0.298 98 F C 2.287 177.992 175.800 -0.160 0.000 1.113 98 F CA 2.310 60.188 58.000 -0.204 0.000 1.214 98 F CB -0.476 38.386 39.000 -0.230 0.000 0.978 98 F HN 0.068 nan 8.300 nan 0.000 0.474 99 N N 0.279 119.033 118.700 0.089 0.000 2.061 99 N HA -0.222 4.518 4.740 0.000 0.000 0.193 99 N C 1.739 177.228 175.510 -0.036 0.000 1.030 99 N CA 1.937 55.046 53.050 0.098 0.000 0.856 99 N CB -0.268 38.291 38.487 0.118 0.000 1.023 99 N HN 0.309 nan 8.380 nan 0.000 0.424 100 E N -0.229 119.906 120.200 -0.108 0.000 2.077 100 E HA -0.134 4.216 4.350 0.000 0.000 0.193 100 E C 1.889 178.439 176.600 -0.084 0.000 0.989 100 E CA 0.793 57.145 56.400 -0.079 0.000 0.800 100 E CB -0.300 29.331 29.700 -0.116 0.000 0.746 100 E HN 0.500 nan 8.360 nan 0.000 0.452 101 M N -0.091 119.401 119.600 -0.180 0.000 2.279 101 M HA -0.048 4.432 4.480 0.000 0.000 0.264 101 M C 2.054 178.173 176.300 -0.301 0.000 1.062 101 M CA 0.939 56.127 55.300 -0.186 0.000 1.099 101 M CB -0.706 31.772 32.600 -0.202 0.000 1.394 101 M HN 0.092 nan 8.290 nan 0.000 0.426 102 M N 0.180 119.549 119.600 -0.385 0.000 2.086 102 M HA -0.125 4.355 4.480 0.000 0.000 0.261 102 M C 2.380 178.563 176.300 -0.194 0.000 1.067 102 M CA 2.005 57.080 55.300 -0.376 0.000 1.116 102 M CB -1.710 30.648 32.600 -0.404 0.000 1.348 102 M HN 0.416 nan 8.290 nan 0.000 0.407 103 S N -0.193 115.465 115.700 -0.070 0.000 2.423 103 S HA -0.056 4.415 4.470 0.000 0.000 0.231 103 S C 1.951 176.511 174.600 -0.066 0.000 1.014 103 S CA 0.653 58.839 58.200 -0.024 0.000 0.965 103 S CB -0.476 62.735 63.200 0.018 0.000 0.785 103 S HN 0.460 nan 8.310 nan 0.000 0.495 104 R N 0.582 121.027 120.500 -0.091 0.000 2.148 104 R HA 0.152 4.492 4.340 0.000 0.000 0.223 104 R C 1.694 177.899 176.300 -0.159 0.000 1.088 104 R CA 0.841 56.888 56.100 -0.087 0.000 0.985 104 R CB -0.162 30.110 30.300 -0.048 0.000 0.880 104 R HN 0.387 nan 8.270 nan 0.000 0.451 105 Q N 0.465 120.094 119.800 -0.284 0.000 2.365 105 Q HA 0.001 4.341 4.340 0.000 0.000 0.203 105 Q C -0.177 175.648 176.000 -0.292 0.000 0.929 105 Q CA 0.057 55.591 55.803 -0.450 0.000 0.948 105 Q CB 0.005 28.098 28.738 -1.075 0.000 1.043 105 Q HN 0.199 nan 8.270 nan 0.000 0.505 106 N N -0.608 117.997 118.700 -0.158 0.000 2.747 106 N HA -0.162 4.578 4.740 0.000 0.000 0.249 106 N C -1.295 174.201 175.510 -0.025 0.000 1.107 106 N CA 0.342 53.353 53.050 -0.064 0.000 0.707 106 N CB -1.278 37.187 38.487 -0.037 0.000 1.054 106 N HN -0.034 nan 8.380 nan 0.000 0.555 107 V N 1.342 121.218 119.914 -0.063 0.000 2.432 107 V HA 0.199 4.319 4.120 0.000 0.000 0.271 107 V C 1.165 177.283 176.094 0.041 0.000 1.046 107 V CA 0.440 62.730 62.300 -0.016 0.000 0.945 107 V CB 1.440 33.197 31.823 -0.111 0.000 0.992 107 V HN 0.477 nan 8.190 nan 0.000 0.471 108 D N 1.643 122.092 120.400 0.081 0.000 2.441 108 D HA 0.116 4.756 4.640 0.000 0.000 0.210 108 D C 0.343 176.696 176.300 0.089 0.000 1.102 108 D CA 0.040 54.117 54.000 0.128 0.000 0.840 108 D CB 0.607 41.484 40.800 0.128 0.000 0.990 108 D HN 0.481 nan 8.370 nan 0.000 0.505 109 T N -0.093 114.409 114.554 -0.087 0.000 2.952 109 T HA 0.577 4.927 4.350 0.000 0.000 0.305 109 T C -1.226 173.177 174.700 -0.496 0.000 1.064 109 T CA -0.649 61.253 62.100 -0.329 0.000 1.008 109 T CB 2.501 71.019 68.868 -0.584 0.000 1.078 109 T HN -0.141 nan 8.240 nan 0.000 0.459 110 V N 3.309 122.872 119.914 -0.585 0.000 2.638 110 V HA 0.604 4.724 4.120 0.000 0.000 0.306 110 V C -1.355 174.204 176.094 -0.892 0.000 1.052 110 V CA -0.916 61.060 62.300 -0.540 0.000 0.885 110 V CB 1.571 33.164 31.823 -0.383 0.000 0.999 110 V HN 0.833 nan 8.190 nan 0.000 0.424 111 F N 2.745 122.459 119.950 -0.394 0.000 2.426 111 F HA 0.885 5.412 4.527 0.000 0.000 0.348 111 F C 0.776 176.420 175.800 -0.260 0.000 1.124 111 F CA -0.258 57.508 58.000 -0.390 0.000 1.008 111 F CB 2.037 40.917 39.000 -0.199 0.000 1.139 111 F HN 0.679 nan 8.300 nan 0.000 0.452 112 G N 1.631 110.347 108.800 -0.141 0.000 2.550 112 G HA2 0.486 4.446 3.960 0.000 0.000 0.293 112 G HA3 0.486 4.446 3.960 0.000 0.000 0.293 112 G C -2.684 172.538 174.900 0.536 0.000 1.402 112 G CA -0.707 44.568 45.100 0.291 0.000 0.784 112 G HN 0.384 nan 8.290 nan 0.000 0.482 113 Y N 1.474 122.003 120.300 0.381 0.000 2.396 113 Y HA 0.574 5.124 4.550 0.000 0.000 0.332 113 Y C -2.245 173.652 175.900 -0.005 0.000 1.034 113 Y CA -1.633 56.589 58.100 0.203 0.000 1.057 113 Y CB 2.991 41.497 38.460 0.076 0.000 1.220 113 Y HN 0.492 nan 8.280 nan 0.000 0.440 114 P HA 0.456 nan 4.420 nan 0.000 0.272 114 P C -0.480 176.603 177.300 -0.361 0.000 1.240 114 P CA 0.170 62.706 63.100 -0.940 0.000 0.791 114 P CB 1.607 32.630 31.700 -1.130 0.000 0.978 115 G N -1.207 107.398 108.800 -0.325 0.000 2.506 115 G HA2 0.438 4.398 3.960 0.000 0.000 0.292 115 G HA3 0.438 4.398 3.960 0.000 0.000 0.292 115 G C 0.618 175.456 174.900 -0.104 0.000 1.425 115 G CA -0.093 44.929 45.100 -0.129 0.000 0.788 115 G HN 0.482 nan 8.290 nan 0.000 0.490 116 G N 0.245 109.021 108.800 -0.040 0.000 2.511 116 G HA2 0.134 4.094 3.960 0.000 0.000 0.216 116 G HA3 0.134 4.094 3.960 0.000 0.000 0.216 116 G C 2.114 177.009 174.900 -0.008 0.000 1.218 116 G CA 2.250 47.346 45.100 -0.006 0.000 0.788 116 G HN 1.608 nan 8.290 nan 0.000 0.560 117 A N -0.002 122.812 122.820 -0.010 0.000 2.032 117 A HA -0.003 4.317 4.320 0.000 0.000 0.221 117 A C 2.197 179.780 177.584 -0.001 0.000 1.165 117 A CA 1.624 53.657 52.037 -0.007 0.000 0.645 117 A CB -0.251 18.735 19.000 -0.023 0.000 0.807 117 A HN 0.454 nan 8.150 nan 0.000 0.453 118 I N -0.835 119.738 120.570 0.005 0.000 3.875 118 I HA 0.176 4.346 4.170 0.000 0.000 0.329 118 I C 1.548 177.723 176.117 0.097 0.000 1.295 118 I CA -0.033 61.298 61.300 0.052 0.000 1.129 118 I CB -0.281 37.794 38.000 0.125 0.000 1.008 118 I HN 0.263 nan 8.210 nan 0.000 0.413 119 L N 1.388 122.625 121.223 0.023 0.000 2.013 119 L HA -0.182 4.158 4.340 0.000 0.000 0.212 119 L C -0.286 176.608 176.870 0.040 0.000 1.073 119 L CA 1.813 56.665 54.840 0.019 0.000 0.753 119 L CB -1.889 40.155 42.059 -0.025 0.000 0.890 119 L HN 0.230 nan 8.230 nan 0.000 0.432 120 P HA -0.167 nan 4.420 nan 0.000 0.217 120 P C 1.751 179.034 177.300 -0.028 0.000 1.148 120 P CA 1.264 64.358 63.100 -0.011 0.000 0.828 120 P CB 0.068 31.757 31.700 -0.019 0.000 0.783 121 V N -2.518 117.363 119.914 -0.056 0.000 2.535 121 V HA -0.190 3.930 4.120 0.000 0.000 0.246 121 V C 2.057 178.065 176.094 -0.143 0.000 1.045 121 V CA 1.445 63.639 62.300 -0.175 0.000 1.058 121 V CB -1.318 30.242 31.823 -0.438 0.000 0.689 121 V HN 0.019 nan 8.190 nan 0.000 0.461 122 Y N 0.952 121.176 120.300 -0.125 0.000 2.181 122 Y HA -0.244 4.306 4.550 0.000 0.000 0.288 122 Y C 2.438 178.289 175.900 -0.080 0.000 1.146 122 Y CA 2.053 60.084 58.100 -0.116 0.000 1.164 122 Y CB -0.427 37.944 38.460 -0.149 0.000 0.982 122 Y HN 0.356 nan 8.280 nan 0.000 0.515 123 D N -0.499 119.937 120.400 0.060 0.000 2.178 123 D HA -0.172 4.468 4.640 0.000 0.000 0.201 123 D C 2.086 178.405 176.300 0.031 0.000 0.980 123 D CA 1.220 55.225 54.000 0.008 0.000 0.842 123 D CB -0.130 40.656 40.800 -0.023 0.000 0.948 123 D HN 0.276 nan 8.370 nan 0.000 0.472 124 A N 0.212 123.040 122.820 0.012 0.000 2.016 124 A HA 0.040 4.360 4.320 0.000 0.000 0.217 124 A C 2.122 179.721 177.584 0.024 0.000 1.162 124 A CA 0.951 52.998 52.037 0.017 0.000 0.662 124 A CB -0.690 18.318 19.000 0.013 0.000 0.812 124 A HN 0.532 nan 8.150 nan 0.000 0.450 125 I N -3.597 116.982 120.570 0.014 0.000 3.904 125 I HA 0.244 4.415 4.170 0.000 0.000 0.333 125 I C 0.599 176.671 176.117 -0.075 0.000 1.361 125 I CA -0.598 60.698 61.300 -0.006 0.000 1.116 125 I CB -0.546 37.526 38.000 0.119 0.000 1.028 125 I HN 0.195 nan 8.210 nan 0.000 0.398 126 H N 3.443 122.442 119.070 -0.118 0.000 3.091 126 H HA 0.121 4.677 4.556 0.000 0.000 0.289 126 H C 0.717 175.971 175.328 -0.125 0.000 0.995 126 H CA 0.632 56.610 56.048 -0.117 0.000 1.461 126 H CB 0.177 29.893 29.762 -0.076 0.000 1.510 126 H HN 0.335 nan 8.280 nan 0.000 0.546 127 N N 1.805 120.213 118.700 -0.488 0.000 2.863 127 N HA -0.261 4.479 4.740 0.000 0.000 0.245 127 N C -0.294 175.034 175.510 -0.303 0.000 1.001 127 N CA 1.191 53.985 53.050 -0.427 0.000 0.901 127 N CB -1.349 36.834 38.487 -0.508 0.000 1.124 127 N HN 0.570 nan 8.380 nan 0.000 0.582 128 S N 0.294 115.802 115.700 -0.320 0.000 2.549 128 S HA 0.348 4.819 4.470 0.000 0.000 0.286 128 S C 1.044 175.394 174.600 -0.417 0.000 1.314 128 S CA 0.932 58.910 58.200 -0.370 0.000 1.062 128 S CB 0.643 63.541 63.200 -0.504 0.000 0.865 128 S HN 0.370 nan 8.310 nan 0.000 0.498 129 D N 3.236 123.451 120.400 -0.309 0.000 2.402 129 D HA 0.267 4.907 4.640 0.000 0.000 0.216 129 D C 1.345 177.508 176.300 -0.227 0.000 1.128 129 D CA -0.158 53.698 54.000 -0.240 0.000 0.833 129 D CB -0.182 40.531 40.800 -0.146 0.000 0.971 129 D HN 0.704 nan 8.370 nan 0.000 0.503 130 K N -0.702 119.498 120.400 -0.334 0.000 2.217 130 K HA 0.194 4.514 4.320 0.000 0.000 0.202 130 K C -0.050 176.544 176.600 -0.010 0.000 1.051 130 K CA 0.724 56.921 56.287 -0.150 0.000 0.952 130 K CB -0.042 32.425 32.500 -0.055 0.000 0.736 130 K HN 0.667 nan 8.250 nan 0.000 0.453 131 F N -2.541 117.393 119.950 -0.026 0.000 2.741 131 F HA 0.264 4.791 4.527 0.000 0.000 0.311 131 F C -1.268 174.520 175.800 -0.019 0.000 1.149 131 F CA -1.709 56.275 58.000 -0.027 0.000 0.930 131 F CB 0.661 39.640 39.000 -0.035 0.000 1.312 131 F HN -0.268 nan 8.300 nan 0.000 0.450 132 N N 0.764 119.585 118.700 0.203 0.000 2.499 132 N HA 0.393 5.133 4.740 0.000 0.000 0.281 132 N C -1.818 173.777 175.510 0.143 0.000 1.098 132 N CA -0.414 52.698 53.050 0.103 0.000 0.979 132 N CB 0.899 39.394 38.487 0.014 0.000 1.121 132 N HN 0.631 nan 8.380 nan 0.000 0.466 133 F N 4.334 124.292 119.950 0.014 0.000 2.427 133 F HA 0.409 4.936 4.527 0.000 0.000 0.346 133 F C -0.789 174.966 175.800 -0.075 0.000 1.120 133 F CA -0.613 57.383 58.000 -0.007 0.000 1.033 133 F CB 1.067 40.110 39.000 0.072 0.000 1.126 133 F HN 0.107 nan 8.300 nan 0.000 0.462 134 V N 7.474 127.005 119.914 -0.637 0.000 2.384 134 V HA 0.345 4.465 4.120 0.000 0.000 0.287 134 V C -0.781 175.184 176.094 -0.216 0.000 1.020 134 V CA -0.783 61.328 62.300 -0.315 0.000 0.850 134 V CB 1.359 32.962 31.823 -0.366 0.000 0.987 134 V HN 0.593 nan 8.190 nan 0.000 0.436 135 L N 9.821 131.112 121.223 0.113 0.000 2.272 135 L HA 0.751 5.091 4.340 0.000 0.000 0.289 135 L C -2.141 174.871 176.870 0.236 0.000 1.032 135 L CA -1.181 53.809 54.840 0.250 0.000 0.810 135 L CB 1.670 43.918 42.059 0.316 0.000 1.205 135 L HN 0.446 nan 8.230 nan 0.000 0.422 136 P HA 0.378 nan 4.420 nan 0.000 0.325 136 P C -0.707 176.784 177.300 0.319 0.000 1.298 136 P CA -0.408 62.844 63.100 0.254 0.000 0.771 136 P CB 1.429 33.258 31.700 0.214 0.000 1.389 137 K N -1.918 118.606 120.400 0.207 0.000 2.354 137 K HA 0.139 4.459 4.320 0.000 0.000 0.194 137 K C 0.533 177.127 176.600 -0.010 0.000 1.045 137 K CA 0.679 57.068 56.287 0.170 0.000 1.026 137 K CB 0.026 32.599 32.500 0.121 0.000 0.866 137 K HN 0.562 nan 8.250 nan 0.000 0.530 138 H N 0.054 119.052 119.070 -0.119 0.000 2.894 138 H HA 0.179 4.735 4.556 0.000 0.000 0.367 138 H C -0.087 175.150 175.328 -0.152 0.000 1.144 138 H CA -0.086 55.833 56.048 -0.215 0.000 1.180 138 H CB 2.027 31.712 29.762 -0.127 0.000 1.758 138 H HN -0.219 nan 8.280 nan 0.000 0.541 139 E N 1.856 121.961 120.200 -0.158 0.000 2.153 139 E HA -0.181 4.170 4.350 0.000 0.000 0.194 139 E C 1.858 178.511 176.600 0.089 0.000 0.988 139 E CA 1.219 57.614 56.400 -0.009 0.000 0.811 139 E CB 0.179 29.821 29.700 -0.098 0.000 0.746 139 E HN 0.593 nan 8.360 nan 0.000 0.466 140 Q N -0.102 119.869 119.800 0.284 0.000 2.170 140 Q HA -0.143 4.197 4.340 0.000 0.000 0.203 140 Q C 2.088 178.024 176.000 -0.107 0.000 0.976 140 Q CA 1.560 57.346 55.803 -0.027 0.000 0.858 140 Q CB -0.279 28.392 28.738 -0.111 0.000 0.907 140 Q HN 0.387 nan 8.270 nan 0.000 0.433 141 G N 0.220 109.041 108.800 0.036 0.000 2.402 141 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 141 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 141 G C 1.440 176.346 174.900 0.011 0.000 1.162 141 G CA 0.813 45.938 45.100 0.042 0.000 0.777 141 G HN 0.485 nan 8.290 nan 0.000 0.539 142 A N 0.930 123.773 122.820 0.038 0.000 1.902 142 A HA 0.144 4.464 4.320 0.000 0.000 0.217 142 A C 2.701 180.227 177.584 -0.097 0.000 1.181 142 A CA 2.137 54.201 52.037 0.044 0.000 0.623 142 A CB -1.092 17.983 19.000 0.125 0.000 0.818 142 A HN 0.513 nan 8.150 nan 0.000 0.443 143 G N -1.273 107.452 108.800 -0.125 0.000 2.421 143 G HA2 -0.256 3.705 3.960 0.000 0.000 0.216 143 G HA3 -0.256 3.705 3.960 0.000 0.000 0.216 143 G C 1.493 176.285 174.900 -0.181 0.000 1.171 143 G CA 1.138 46.128 45.100 -0.183 0.000 0.775 143 G HN 0.635 nan 8.290 nan 0.000 0.543 144 H N 0.008 119.027 119.070 -0.085 0.000 2.423 144 H HA 0.113 4.669 4.556 0.000 0.000 0.297 144 H C 2.695 177.854 175.328 -0.281 0.000 1.075 144 H CA 1.022 57.001 56.048 -0.115 0.000 1.342 144 H CB -0.278 29.423 29.762 -0.102 0.000 1.395 144 H HN 0.343 nan 8.280 nan 0.000 0.530 145 M N -0.124 119.335 119.600 -0.234 0.000 2.117 145 M HA -0.092 4.388 4.480 0.000 0.000 0.262 145 M C 2.692 178.500 176.300 -0.819 0.000 1.065 145 M CA 1.418 56.440 55.300 -0.462 0.000 1.114 145 M CB -0.155 32.170 32.600 -0.458 0.000 1.361 145 M HN 0.236 nan 8.290 nan 0.000 0.408 146 A N 0.411 122.674 122.820 -0.928 0.000 1.902 146 A HA -0.188 4.132 4.320 0.000 0.000 0.217 146 A C 1.913 179.383 177.584 -0.191 0.000 1.181 146 A CA 1.785 53.396 52.037 -0.709 0.000 0.623 146 A CB -0.686 18.108 19.000 -0.345 0.000 0.818 146 A HN 0.550 nan 8.150 nan 0.000 0.443 147 E N -0.700 119.439 120.200 -0.101 0.000 2.051 147 E HA -0.116 4.234 4.350 0.000 0.000 0.192 147 E C 2.192 178.807 176.600 0.025 0.000 0.991 147 E CA 0.798 57.224 56.400 0.043 0.000 0.799 147 E CB -0.433 29.390 29.700 0.205 0.000 0.748 147 E HN 0.600 nan 8.360 nan 0.000 0.449 148 G N 0.720 109.472 108.800 -0.080 0.000 2.440 148 G HA2 -0.321 3.640 3.960 0.000 0.000 0.218 148 G HA3 -0.321 3.640 3.960 0.000 0.000 0.218 148 G C 1.430 176.326 174.900 -0.006 0.000 1.154 148 G CA 0.999 46.043 45.100 -0.092 0.000 0.767 148 G HN 0.303 nan 8.290 nan 0.000 0.552 149 Y N 1.934 122.164 120.300 -0.116 0.000 2.145 149 Y HA -0.005 4.545 4.550 0.000 0.000 0.286 149 Y C 2.893 178.807 175.900 0.022 0.000 1.145 149 Y CA 1.653 59.754 58.100 0.002 0.000 1.148 149 Y CB -0.312 38.195 38.460 0.078 0.000 0.981 149 Y HN 0.246 nan 8.280 nan 0.000 0.507 150 A N 0.758 123.653 122.820 0.124 0.000 1.898 150 A HA -0.142 4.178 4.320 0.000 0.000 0.216 150 A C 2.256 179.814 177.584 -0.044 0.000 1.181 150 A CA 1.460 53.525 52.037 0.046 0.000 0.620 150 A CB -0.509 18.557 19.000 0.111 0.000 0.819 150 A HN 0.401 nan 8.150 nan 0.000 0.442 151 R N -0.413 120.080 120.500 -0.011 0.000 2.096 151 R HA -0.054 4.286 4.340 0.000 0.000 0.235 151 R C 2.227 178.516 176.300 -0.017 0.000 1.127 151 R CA 1.406 57.508 56.100 0.004 0.000 0.968 151 R CB -0.825 29.491 30.300 0.028 0.000 0.861 151 R HN 0.539 nan 8.270 nan 0.000 0.440 152 A N 0.269 123.049 122.820 -0.067 0.000 2.030 152 A HA -0.049 4.271 4.320 0.000 0.000 0.215 152 A C 2.086 179.567 177.584 -0.172 0.000 1.164 152 A CA 1.279 53.278 52.037 -0.063 0.000 0.697 152 A CB -0.049 18.929 19.000 -0.036 0.000 0.827 152 A HN 0.396 nan 8.150 nan 0.000 0.457 153 S N -2.869 112.653 115.700 -0.298 0.000 2.497 153 S HA 0.404 4.874 4.470 0.000 0.000 0.221 153 S C 1.531 175.968 174.600 -0.272 0.000 1.037 153 S CA 1.191 59.190 58.200 -0.336 0.000 0.920 153 S CB 0.125 62.984 63.200 -0.569 0.000 0.800 153 S HN 1.787 nan 8.310 nan 0.000 0.505 154 G N 1.309 109.968 108.800 -0.234 0.000 2.199 154 G HA2 -0.240 3.720 3.960 0.000 0.000 0.254 154 G HA3 -0.240 3.720 3.960 0.000 0.000 0.254 154 G C -0.059 174.796 174.900 -0.075 0.000 0.982 154 G CA 0.321 45.318 45.100 -0.172 0.000 0.632 154 G HN 0.615 nan 8.290 nan 0.000 0.529 155 K N 1.564 121.929 120.400 -0.059 0.000 2.098 155 K HA 0.523 4.843 4.320 0.000 0.000 0.258 155 K C -2.396 174.312 176.600 0.180 0.000 0.973 155 K CA -1.898 54.436 56.287 0.079 0.000 0.898 155 K CB 1.809 34.396 32.500 0.145 0.000 1.057 155 K HN 0.060 nan 8.250 nan 0.000 0.447 156 P HA 0.001 nan 4.420 nan 0.000 0.271 156 P C -0.361 177.115 177.300 0.293 0.000 1.216 156 P CA -0.231 62.992 63.100 0.206 0.000 0.776 156 P CB 0.693 32.494 31.700 0.168 0.000 0.881 157 G N 1.941 110.873 108.800 0.220 0.000 2.353 157 G HA2 0.437 4.397 3.960 0.000 0.000 0.284 157 G HA3 0.437 4.397 3.960 0.000 0.000 0.284 157 G C -0.594 174.374 174.900 0.114 0.000 1.172 157 G CA -0.390 44.833 45.100 0.206 0.000 0.854 157 G HN 0.351 nan 8.290 nan 0.000 0.485 158 V N 2.982 122.989 119.914 0.156 0.000 2.384 158 V HA 0.393 4.514 4.120 0.000 0.000 0.287 158 V C -0.046 176.173 176.094 0.208 0.000 1.020 158 V CA -0.649 61.753 62.300 0.171 0.000 0.850 158 V CB 1.438 33.385 31.823 0.207 0.000 0.987 158 V HN 0.514 nan 8.190 nan 0.000 0.436 159 V N 6.033 126.060 119.914 0.189 0.000 2.513 159 V HA 0.553 4.673 4.120 0.000 0.000 0.299 159 V C -0.565 175.691 176.094 0.270 0.000 1.035 159 V CA -0.636 61.775 62.300 0.185 0.000 0.889 159 V CB 1.865 33.741 31.823 0.089 0.000 0.988 159 V HN 0.669 nan 8.190 nan 0.000 0.440 160 L N 7.101 128.477 121.223 0.254 0.000 2.442 160 L HA 0.738 5.078 4.340 0.000 0.000 0.261 160 L C -0.411 176.658 176.870 0.332 0.000 1.000 160 L CA -0.058 54.950 54.840 0.280 0.000 0.882 160 L CB 1.402 43.577 42.059 0.192 0.000 1.207 160 L HN 0.582 nan 8.230 nan 0.000 0.443 161 V N 0.648 120.711 119.914 0.247 0.000 3.181 161 V HA 0.750 4.870 4.120 0.000 0.000 0.314 161 V C 0.142 176.323 176.094 0.146 0.000 1.173 161 V CA -0.440 61.988 62.300 0.213 0.000 1.052 161 V CB 1.545 33.444 31.823 0.126 0.000 1.123 161 V HN 0.614 nan 8.190 nan 0.000 0.454 162 T N 0.434 115.039 114.554 0.084 0.000 2.852 162 T HA 0.516 4.866 4.350 0.000 0.000 0.281 162 T C 0.593 175.283 174.700 -0.018 0.000 0.993 162 T CA 0.355 62.469 62.100 0.024 0.000 0.933 162 T CB 1.135 69.994 68.868 -0.014 0.000 1.187 162 T HN 1.541 nan 8.240 nan 0.000 0.559 163 S N 0.024 115.694 115.700 -0.049 0.000 2.633 163 S HA 0.545 5.015 4.470 0.000 0.000 0.257 163 S C 1.385 175.915 174.600 -0.117 0.000 1.265 163 S CA 0.033 58.186 58.200 -0.077 0.000 0.980 163 S CB -0.388 62.759 63.200 -0.088 0.000 1.017 163 S HN 1.600 nan 8.310 nan 0.000 0.577 164 G N 1.552 110.275 108.800 -0.127 0.000 2.665 164 G HA2 -0.307 3.653 3.960 0.000 0.000 0.326 164 G HA3 -0.307 3.653 3.960 0.000 0.000 0.326 164 G C -0.897 173.927 174.900 -0.126 0.000 1.231 164 G CA 0.537 45.549 45.100 -0.146 0.000 0.992 164 G HN 0.764 nan 8.290 nan 0.000 0.549 165 P HA -0.048 nan 4.420 nan 0.000 0.218 165 P C 1.915 179.135 177.300 -0.134 0.000 1.149 165 P CA 2.626 65.648 63.100 -0.130 0.000 0.817 165 P CB -0.698 30.917 31.700 -0.141 0.000 0.785 166 G N 0.510 109.237 108.800 -0.121 0.000 2.408 166 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 166 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 166 G C 1.809 176.667 174.900 -0.071 0.000 1.150 166 G CA 0.972 46.014 45.100 -0.097 0.000 0.776 166 G HN 0.380 nan 8.290 nan 0.000 0.542 167 A N 0.802 123.582 122.820 -0.066 0.000 1.898 167 A HA 0.037 4.357 4.320 0.000 0.000 0.214 167 A C 2.632 180.176 177.584 -0.065 0.000 1.183 167 A CA 2.427 54.430 52.037 -0.057 0.000 0.622 167 A CB -0.991 17.973 19.000 -0.060 0.000 0.824 167 A HN 0.490 nan 8.150 nan 0.000 0.444 168 T N -2.105 112.406 114.554 -0.072 0.000 2.915 168 T HA -0.110 4.240 4.350 0.000 0.000 0.269 168 T C 1.372 176.042 174.700 -0.049 0.000 1.071 168 T CA 1.534 63.595 62.100 -0.064 0.000 1.132 168 T CB -0.770 68.060 68.868 -0.064 0.000 0.878 168 T HN 0.579 nan 8.240 nan 0.000 0.479 169 N N 1.019 119.687 118.700 -0.053 0.000 2.550 169 N HA 0.034 4.774 4.740 0.000 0.000 0.186 169 N C 1.425 176.931 175.510 -0.007 0.000 1.110 169 N CA 0.754 53.801 53.050 -0.005 0.000 0.912 169 N CB 0.074 38.510 38.487 -0.084 0.000 0.968 169 N HN 0.525 nan 8.380 nan 0.000 0.448 170 V N -3.388 116.498 119.914 -0.046 0.000 3.483 170 V HA 0.190 4.310 4.120 0.000 0.000 0.301 170 V C 1.558 177.604 176.094 -0.080 0.000 1.389 170 V CA -0.039 62.218 62.300 -0.071 0.000 1.101 170 V CB 0.017 31.804 31.823 -0.060 0.000 0.971 170 V HN -0.106 nan 8.190 nan 0.000 0.434 171 V N 1.246 121.120 119.914 -0.067 0.000 2.343 171 V HA -0.217 3.903 4.120 0.000 0.000 0.247 171 V C 2.770 178.827 176.094 -0.061 0.000 1.051 171 V CA 2.977 65.235 62.300 -0.070 0.000 1.036 171 V CB -1.108 30.675 31.823 -0.066 0.000 0.654 171 V HN 0.651 nan 8.190 nan 0.000 0.451 172 T N 0.332 114.856 114.554 -0.051 0.000 2.652 172 T HA -0.118 4.232 4.350 0.000 0.000 0.267 172 T C -0.014 174.679 174.700 -0.011 0.000 1.039 172 T CA 2.119 64.207 62.100 -0.019 0.000 1.153 172 T CB -1.171 67.703 68.868 0.010 0.000 0.863 172 T HN 0.425 nan 8.240 nan 0.000 0.428 173 P HA 0.007 nan 4.420 nan 0.000 0.216 173 P C 1.575 178.866 177.300 -0.015 0.000 1.150 173 P CA 1.136 64.160 63.100 -0.128 0.000 0.837 173 P CB -0.122 31.376 31.700 -0.336 0.000 0.786 174 M N -1.296 118.282 119.600 -0.037 0.000 2.099 174 M HA -0.089 4.391 4.480 0.000 0.000 0.262 174 M C 2.170 178.489 176.300 0.031 0.000 1.067 174 M CA 1.877 57.169 55.300 -0.013 0.000 1.124 174 M CB -0.879 31.686 32.600 -0.057 0.000 1.353 174 M HN -0.104 nan 8.290 nan 0.000 0.410 175 A N 0.021 122.842 122.820 0.002 0.000 1.972 175 A HA -0.222 4.098 4.320 0.000 0.000 0.219 175 A C 1.922 179.557 177.584 0.085 0.000 1.169 175 A CA 1.956 54.009 52.037 0.026 0.000 0.635 175 A CB -0.841 18.149 19.000 -0.016 0.000 0.810 175 A HN 0.547 nan 8.150 nan 0.000 0.446 176 D N -0.060 120.376 120.400 0.061 0.000 2.123 176 D HA -0.039 4.601 4.640 0.000 0.000 0.200 176 D C 2.084 178.402 176.300 0.029 0.000 0.976 176 D CA 1.258 55.277 54.000 0.031 0.000 0.831 176 D CB -0.032 40.810 40.800 0.070 0.000 0.974 176 D HN 0.336 nan 8.370 nan 0.000 0.469 177 A N 0.028 122.890 122.820 0.071 0.000 1.969 177 A HA -0.115 4.206 4.320 0.000 0.000 0.218 177 A C 1.991 179.621 177.584 0.076 0.000 1.169 177 A CA 0.579 52.653 52.037 0.062 0.000 0.635 177 A CB -0.903 18.137 19.000 0.067 0.000 0.810 177 A HN 0.342 nan 8.150 nan 0.000 0.445 178 F N 0.863 120.795 119.950 -0.032 0.000 2.146 178 F HA -0.024 4.503 4.527 0.000 0.000 0.298 178 F C 2.490 178.271 175.800 -0.032 0.000 1.096 178 F CA 1.076 59.060 58.000 -0.028 0.000 1.275 178 F CB -0.305 38.678 39.000 -0.028 0.000 1.008 178 F HN 0.241 nan 8.300 nan 0.000 0.480 179 A N -0.727 122.127 122.820 0.058 0.000 1.929 179 A HA -0.121 4.199 4.320 0.000 0.000 0.216 179 A C 1.568 179.090 177.584 -0.104 0.000 1.176 179 A CA 1.788 53.802 52.037 -0.039 0.000 0.628 179 A CB -0.624 18.375 19.000 -0.002 0.000 0.816 179 A HN 0.370 nan 8.150 nan 0.000 0.444 180 D N -0.875 119.468 120.400 -0.095 0.000 2.342 180 D HA 0.284 4.924 4.640 0.000 0.000 0.221 180 D C 1.023 177.267 176.300 -0.094 0.000 1.101 180 D CA 0.826 54.763 54.000 -0.106 0.000 0.837 180 D CB -0.085 40.640 40.800 -0.125 0.000 0.938 180 D HN 0.500 nan 8.370 nan 0.000 0.508 181 G N 1.770 110.501 108.800 -0.115 0.000 2.338 181 G HA2 -0.292 3.668 3.960 0.000 0.000 0.296 181 G HA3 -0.292 3.668 3.960 0.000 0.000 0.296 181 G C 0.153 175.023 174.900 -0.049 0.000 1.040 181 G CA -0.095 44.943 45.100 -0.103 0.000 1.004 181 G HN 0.374 nan 8.290 nan 0.000 0.509 182 I N 1.781 122.336 120.570 -0.025 0.000 2.336 182 I HA 0.292 4.462 4.170 0.000 0.000 0.292 182 I C -1.644 174.482 176.117 0.014 0.000 0.991 182 I CA -2.601 58.702 61.300 0.005 0.000 1.227 182 I CB 1.905 39.920 38.000 0.026 0.000 1.366 182 I HN -0.016 nan 8.210 nan 0.000 0.466 183 P HA 0.142 nan 4.420 nan 0.000 0.271 183 P C -0.966 176.342 177.300 0.014 0.000 1.233 183 P CA -0.153 62.957 63.100 0.016 0.000 0.764 183 P CB 1.144 32.863 31.700 0.031 0.000 0.825 184 M N 3.780 123.363 119.600 -0.028 0.000 2.325 184 M HA 0.287 4.767 4.480 0.000 0.000 0.285 184 M C -2.031 174.173 176.300 -0.160 0.000 1.119 184 M CA -0.754 54.513 55.300 -0.056 0.000 0.959 184 M CB 2.250 34.837 32.600 -0.023 0.000 1.737 184 M HN -0.069 nan 8.290 nan 0.000 0.486 185 V N 5.139 124.899 119.914 -0.257 0.000 2.334 185 V HA 0.470 4.590 4.120 0.000 0.000 0.281 185 V C -0.625 175.233 176.094 -0.394 0.000 1.016 185 V CA -0.680 61.342 62.300 -0.463 0.000 0.832 185 V CB 1.438 32.748 31.823 -0.854 0.000 0.999 185 V HN 0.654 nan 8.190 nan 0.000 0.439 186 V N 5.964 125.641 119.914 -0.395 0.000 2.350 186 V HA 0.455 4.575 4.120 0.000 0.000 0.276 186 V C -0.453 175.428 176.094 -0.354 0.000 1.028 186 V CA -0.338 61.809 62.300 -0.255 0.000 0.860 186 V CB 0.959 32.695 31.823 -0.144 0.000 0.990 186 V HN 0.658 nan 8.190 nan 0.000 0.453 187 F N 3.280 123.253 119.950 0.038 0.000 2.385 187 F HA 0.514 5.041 4.527 0.000 0.000 0.360 187 F C 0.864 176.668 175.800 0.007 0.000 1.122 187 F CA -0.473 57.552 58.000 0.041 0.000 1.090 187 F CB 1.701 40.754 39.000 0.090 0.000 1.150 187 F HN 0.495 nan 8.300 nan 0.000 0.472 188 T N 0.352 114.981 114.554 0.126 0.000 2.797 188 T HA 0.682 5.032 4.350 0.000 0.000 0.279 188 T C 0.254 174.985 174.700 0.053 0.000 0.991 188 T CA -0.942 61.198 62.100 0.066 0.000 0.979 188 T CB 1.485 70.354 68.868 0.001 0.000 0.943 188 T HN 0.725 nan 8.240 nan 0.000 0.444 189 G N 1.378 110.202 108.800 0.041 0.000 2.527 189 G HA2 0.484 4.444 3.960 0.000 0.000 0.248 189 G HA3 0.484 4.444 3.960 0.000 0.000 0.248 189 G C -0.568 174.329 174.900 -0.006 0.000 1.231 189 G CA -0.276 44.834 45.100 0.017 0.000 0.838 189 G HN 0.847 nan 8.290 nan 0.000 0.570 190 Q N -0.637 119.158 119.800 -0.010 0.000 2.495 190 Q HA 0.530 4.870 4.340 0.000 0.000 0.287 190 Q C -0.035 175.955 176.000 -0.017 0.000 1.078 190 Q CA -0.729 55.062 55.803 -0.022 0.000 0.793 190 Q CB 1.977 30.704 28.738 -0.018 0.000 1.459 190 Q HN 0.883 nan 8.270 nan 0.000 0.422 191 V N -0.345 119.557 119.914 -0.021 0.000 3.185 191 V HA 0.566 4.686 4.120 0.000 0.000 0.305 191 V C -2.220 173.876 176.094 0.002 0.000 1.090 191 V CA -1.587 60.710 62.300 -0.004 0.000 1.107 191 V CB -0.181 31.641 31.823 -0.001 0.000 1.061 191 V HN 0.777 nan 8.190 nan 0.000 0.480 192 P HA 0.077 nan 4.420 nan 0.000 0.265 192 P C 1.218 178.523 177.300 0.007 0.000 1.187 192 P CA 0.890 63.996 63.100 0.010 0.000 0.766 192 P CB 0.389 32.098 31.700 0.014 0.000 0.820 193 T N -0.973 113.585 114.554 0.006 0.000 2.778 193 T HA -0.217 4.133 4.350 0.000 0.000 0.269 193 T C 1.564 176.267 174.700 0.005 0.000 1.050 193 T CA 1.819 63.922 62.100 0.005 0.000 1.137 193 T CB -1.121 67.751 68.868 0.007 0.000 0.860 193 T HN 0.448 nan 8.240 nan 0.000 0.468 194 S N 1.031 116.735 115.700 0.007 0.000 2.561 194 S HA 0.447 4.917 4.470 0.000 0.000 0.225 194 S C 2.004 176.608 174.600 0.007 0.000 0.977 194 S CA 0.205 58.409 58.200 0.007 0.000 0.926 194 S CB -0.314 62.891 63.200 0.007 0.000 0.769 194 S HN 0.759 nan 8.310 nan 0.000 0.533 195 A N 0.825 123.650 122.820 0.009 0.000 2.288 195 A HA 0.495 4.815 4.320 0.000 0.000 0.216 195 A C 0.713 178.301 177.584 0.006 0.000 1.199 195 A CA -0.455 51.589 52.037 0.012 0.000 0.891 195 A CB -0.229 18.784 19.000 0.021 0.000 0.923 195 A HN 0.525 nan 8.150 nan 0.000 0.500 196 I N 0.658 121.229 120.570 0.001 0.000 2.752 196 I HA 0.226 4.396 4.170 0.000 0.000 0.289 196 I C 1.530 177.644 176.117 -0.006 0.000 1.197 196 I CA 1.475 62.771 61.300 -0.007 0.000 1.432 196 I CB 0.285 38.279 38.000 -0.010 0.000 1.359 196 I HN 0.467 nan 8.210 nan 0.000 0.571 197 G N 3.912 112.706 108.800 -0.009 0.000 2.141 197 G HA2 -0.277 3.684 3.960 0.000 0.000 0.242 197 G HA3 -0.277 3.684 3.960 0.000 0.000 0.242 197 G C 0.601 175.499 174.900 -0.004 0.000 0.982 197 G CA 0.444 45.539 45.100 -0.009 0.000 0.662 197 G HN 0.805 nan 8.290 nan 0.000 0.527 198 T N -2.357 112.197 114.554 0.000 0.000 3.132 198 T HA 0.405 4.755 4.350 0.000 0.000 0.274 198 T C 0.544 175.250 174.700 0.009 0.000 1.011 198 T CA 0.865 62.968 62.100 0.005 0.000 0.899 198 T CB 0.228 69.102 68.868 0.009 0.000 1.089 198 T HN 0.474 nan 8.240 nan 0.000 0.543 199 D N 1.265 121.668 120.400 0.005 0.000 2.716 199 D HA -0.119 4.521 4.640 0.000 0.000 0.239 199 D C 0.467 176.783 176.300 0.027 0.000 1.125 199 D CA 0.874 54.879 54.000 0.008 0.000 0.681 199 D CB -1.577 39.228 40.800 0.008 0.000 1.070 199 D HN 0.848 nan 8.370 nan 0.000 0.432 200 A N -0.016 122.821 122.820 0.029 0.000 2.386 200 A HA 0.392 4.712 4.320 0.000 0.000 0.246 200 A C 0.375 178.016 177.584 0.095 0.000 1.089 200 A CA -0.377 51.697 52.037 0.063 0.000 0.790 200 A CB 0.256 19.285 19.000 0.050 0.000 1.042 200 A HN 0.215 nan 8.150 nan 0.000 0.497 201 F N 1.024 120.964 119.950 -0.017 0.000 2.602 201 F HA 0.145 4.672 4.527 0.000 0.000 0.385 201 F C 1.188 176.977 175.800 -0.020 0.000 1.063 201 F CA 1.060 59.049 58.000 -0.018 0.000 1.233 201 F CB -0.361 38.628 39.000 -0.018 0.000 1.067 201 F HN 0.777 nan 8.300 nan 0.000 0.564 202 Q N 2.150 121.580 119.800 -0.616 0.000 2.475 202 Q HA -0.304 4.036 4.340 0.000 0.000 0.280 202 Q C -0.230 175.614 176.000 -0.260 0.000 1.234 202 Q CA 1.211 56.681 55.803 -0.554 0.000 0.873 202 Q CB -1.377 26.875 28.738 -0.811 0.000 1.256 202 Q HN 0.859 nan 8.270 nan 0.000 0.475 203 E N -0.052 120.056 120.200 -0.153 0.000 2.191 203 E HA 0.685 5.035 4.350 0.000 0.000 0.278 203 E C -0.901 175.650 176.600 -0.082 0.000 0.972 203 E CA 0.070 56.416 56.400 -0.091 0.000 0.804 203 E CB 1.231 30.902 29.700 -0.047 0.000 1.110 203 E HN 0.306 nan 8.360 nan 0.000 0.394 204 A N 3.643 126.418 122.820 -0.075 0.000 2.515 204 A HA 0.263 4.583 4.320 0.000 0.000 0.298 204 A C -1.166 176.381 177.584 -0.063 0.000 1.059 204 A CA -0.802 51.194 52.037 -0.069 0.000 0.698 204 A CB 1.725 20.678 19.000 -0.078 0.000 1.289 204 A HN 0.688 nan 8.150 nan 0.000 0.404 205 D N 2.332 122.696 120.400 -0.060 0.000 2.619 205 D HA 0.202 4.842 4.640 0.000 0.000 0.224 205 D C 1.480 177.736 176.300 -0.073 0.000 1.133 205 D CA 0.429 54.392 54.000 -0.061 0.000 1.017 205 D CB 0.276 41.043 40.800 -0.055 0.000 1.077 205 D HN 0.519 nan 8.370 nan 0.000 0.503 206 V N 1.134 121.002 119.914 -0.078 0.000 2.427 206 V HA -0.175 3.945 4.120 0.000 0.000 0.248 206 V C 1.991 178.021 176.094 -0.106 0.000 1.051 206 V CA 1.083 63.331 62.300 -0.088 0.000 1.048 206 V CB -0.681 31.091 31.823 -0.084 0.000 0.666 206 V HN 0.246 nan 8.190 nan 0.000 0.456 207 V N 1.863 121.711 119.914 -0.110 0.000 2.343 207 V HA -0.101 4.019 4.120 0.000 0.000 0.247 207 V C 2.896 178.916 176.094 -0.124 0.000 1.051 207 V CA 2.377 64.596 62.300 -0.136 0.000 1.036 207 V CB -1.398 30.343 31.823 -0.136 0.000 0.654 207 V HN 0.673 nan 8.190 nan 0.000 0.451 208 G N -0.540 108.200 108.800 -0.099 0.000 2.394 208 G HA2 -0.157 3.803 3.960 0.000 0.000 0.215 208 G HA3 -0.157 3.803 3.960 0.000 0.000 0.215 208 G C 1.561 176.405 174.900 -0.094 0.000 1.165 208 G CA 0.766 45.813 45.100 -0.089 0.000 0.784 208 G HN 0.477 nan 8.290 nan 0.000 0.535 209 I N 1.771 122.285 120.570 -0.094 0.000 2.202 209 I HA -0.154 4.016 4.170 0.000 0.000 0.242 209 I C 2.787 178.834 176.117 -0.118 0.000 1.091 209 I CA 1.579 62.821 61.300 -0.095 0.000 1.368 209 I CB -0.153 37.795 38.000 -0.086 0.000 1.058 209 I HN 0.303 nan 8.210 nan 0.000 0.410 210 S N 0.370 115.991 115.700 -0.132 0.000 2.593 210 S HA -0.004 4.466 4.470 0.000 0.000 0.217 210 S C 1.767 176.251 174.600 -0.193 0.000 0.966 210 S CA -0.131 57.972 58.200 -0.161 0.000 0.914 210 S CB -0.121 62.988 63.200 -0.152 0.000 0.776 210 S HN 0.255 nan 8.310 nan 0.000 0.523 211 R N 3.363 123.762 120.500 -0.168 0.000 2.112 211 R HA -0.145 4.195 4.340 0.000 0.000 0.242 211 R C 2.156 178.331 176.300 -0.208 0.000 1.137 211 R CA 2.522 58.525 56.100 -0.162 0.000 0.944 211 R CB -1.271 28.957 30.300 -0.120 0.000 0.857 211 R HN 0.569 nan 8.270 nan 0.000 0.435 212 S N -1.403 114.156 115.700 -0.234 0.000 2.562 212 S HA -0.026 4.444 4.470 0.000 0.000 0.221 212 S C 1.389 175.602 174.600 -0.646 0.000 0.975 212 S CA 0.190 58.200 58.200 -0.316 0.000 0.918 212 S CB -0.612 62.467 63.200 -0.202 0.000 0.772 212 S HN 0.535 nan 8.310 nan 0.000 0.531 213 C N 1.195 120.113 119.300 -0.636 0.000 2.741 213 C HA 0.666 5.126 4.460 0.000 0.000 0.267 213 C C 0.445 175.033 174.990 -0.670 0.000 1.549 213 C CA -0.353 58.146 59.018 -0.866 0.000 1.772 213 C CB -1.606 25.909 27.740 -0.375 0.000 2.962 213 C HN 0.523 nan 8.230 nan 0.000 0.514 214 T N -3.325 110.879 114.554 -0.583 0.000 2.923 214 T HA 0.438 4.788 4.350 0.000 0.000 0.311 214 T C 0.191 174.982 174.700 0.153 0.000 1.183 214 T CA -0.539 61.515 62.100 -0.077 0.000 1.020 214 T CB 1.583 70.400 68.868 -0.086 0.000 1.165 214 T HN 0.206 nan 8.240 nan 0.000 0.482 215 K N -0.109 120.504 120.400 0.356 0.000 2.283 215 K HA 0.132 4.452 4.320 0.000 0.000 0.202 215 K C -0.184 176.619 176.600 0.338 0.000 1.048 215 K CA 0.713 57.218 56.287 0.364 0.000 0.948 215 K CB 0.130 32.776 32.500 0.243 0.000 0.742 215 K HN 0.668 nan 8.250 nan 0.000 0.458 216 W N 0.708 122.025 121.300 0.029 0.000 3.499 216 W HA 0.158 4.818 4.660 0.000 0.000 0.288 216 W C -2.227 174.270 176.519 -0.038 0.000 1.258 216 W CA -0.973 56.369 57.345 -0.004 0.000 1.203 216 W CB 0.772 30.232 29.460 0.001 0.000 1.325 216 W HN 0.012 nan 8.180 nan 0.000 0.564 217 N N 2.915 121.138 118.700 -0.794 0.000 2.732 217 N HA 0.785 5.525 4.740 0.000 0.000 0.259 217 N C -2.249 172.595 175.510 -1.109 0.000 1.402 217 N CA -0.613 51.955 53.050 -0.804 0.000 0.829 217 N CB 2.249 40.495 38.487 -0.401 0.000 1.495 217 N HN 0.767 nan 8.380 nan 0.000 0.511 218 V N -0.685 118.779 119.914 -0.751 0.000 3.236 218 V HA 0.560 4.680 4.120 0.000 0.000 0.287 218 V C -1.747 174.188 176.094 -0.265 0.000 1.491 218 V CA -0.875 61.104 62.300 -0.535 0.000 1.037 218 V CB 2.110 33.560 31.823 -0.621 0.000 1.160 218 V HN 0.901 nan 8.190 nan 0.000 0.453 219 M N 5.153 124.660 119.600 -0.153 0.000 2.114 219 M HA 0.537 5.018 4.480 0.000 0.000 0.332 219 M C -1.184 175.103 176.300 -0.021 0.000 1.014 219 M CA -0.635 54.621 55.300 -0.074 0.000 0.956 219 M CB 1.408 33.971 32.600 -0.062 0.000 1.551 219 M HN 0.605 nan 8.290 nan 0.000 0.427 220 V N 6.864 126.789 119.914 0.019 0.000 2.485 220 V HA -0.008 4.112 4.120 0.000 0.000 0.287 220 V C 0.931 177.049 176.094 0.041 0.000 1.022 220 V CA 0.645 62.978 62.300 0.056 0.000 1.067 220 V CB 0.286 32.166 31.823 0.095 0.000 0.967 220 V HN 0.889 nan 8.190 nan 0.000 0.479 221 K N 2.613 123.038 120.400 0.042 0.000 2.356 221 K HA 0.133 4.453 4.320 0.000 0.000 0.195 221 K C 0.576 177.198 176.600 0.037 0.000 1.037 221 K CA 0.531 56.837 56.287 0.032 0.000 1.014 221 K CB 0.438 32.955 32.500 0.028 0.000 0.815 221 K HN 0.810 nan 8.250 nan 0.000 0.507 222 S N -1.640 114.089 115.700 0.050 0.000 2.550 222 S HA 0.135 4.605 4.470 0.000 0.000 0.270 222 S C 0.427 175.064 174.600 0.061 0.000 1.145 222 S CA -0.968 57.262 58.200 0.049 0.000 0.852 222 S CB 1.644 64.872 63.200 0.048 0.000 1.119 222 S HN -0.161 nan 8.310 nan 0.000 0.465 223 V N 1.288 121.235 119.914 0.055 0.000 2.594 223 V HA -0.077 4.043 4.120 0.000 0.000 0.253 223 V C 2.027 178.169 176.094 0.080 0.000 1.069 223 V CA 2.428 64.765 62.300 0.061 0.000 1.082 223 V CB -1.002 30.848 31.823 0.045 0.000 0.680 223 V HN 0.948 nan 8.190 nan 0.000 0.469 224 E N 0.789 121.036 120.200 0.079 0.000 2.153 224 E HA -0.211 4.139 4.350 0.000 0.000 0.194 224 E C 2.015 178.677 176.600 0.104 0.000 0.988 224 E CA 1.559 58.013 56.400 0.090 0.000 0.811 224 E CB -0.138 29.606 29.700 0.072 0.000 0.746 224 E HN 0.947 nan 8.360 nan 0.000 0.466 225 E N 0.121 120.382 120.200 0.100 0.000 2.474 225 E HA -0.018 4.332 4.350 0.000 0.000 0.195 225 E C 1.635 178.319 176.600 0.141 0.000 1.039 225 E CA -0.092 56.377 56.400 0.115 0.000 0.881 225 E CB 0.018 29.781 29.700 0.106 0.000 0.970 225 E HN 0.122 nan 8.360 nan 0.000 0.486 226 L N 2.108 123.413 121.223 0.137 0.000 2.012 226 L HA -0.037 4.303 4.340 0.000 0.000 0.210 226 L C -0.791 176.189 176.870 0.184 0.000 1.073 226 L CA 1.982 56.917 54.840 0.158 0.000 0.748 226 L CB -0.931 41.203 42.059 0.124 0.000 0.891 226 L HN 0.052 nan 8.230 nan 0.000 0.431 227 P HA -0.167 nan 4.420 nan 0.000 0.215 227 P C 1.957 179.367 177.300 0.183 0.000 1.153 227 P CA 1.220 64.439 63.100 0.198 0.000 0.853 227 P CB -0.119 31.742 31.700 0.268 0.000 0.788 228 L N -0.510 120.813 121.223 0.167 0.000 1.989 228 L HA -0.168 4.172 4.340 0.000 0.000 0.211 228 L C 2.251 179.240 176.870 0.198 0.000 1.071 228 L CA 2.060 56.991 54.840 0.151 0.000 0.749 228 L CB -0.856 41.282 42.059 0.131 0.000 0.890 228 L HN -0.217 nan 8.230 nan 0.000 0.431 229 R N 0.042 120.690 120.500 0.246 0.000 2.091 229 R HA -0.099 4.241 4.340 0.000 0.000 0.238 229 R C 2.333 178.864 176.300 0.385 0.000 1.136 229 R CA 1.968 58.276 56.100 0.346 0.000 0.959 229 R CB -1.178 29.304 30.300 0.303 0.000 0.856 229 R HN 0.490 nan 8.270 nan 0.000 0.437 230 I N 1.420 122.211 120.570 0.369 0.000 2.179 230 I HA -0.295 3.875 4.170 0.000 0.000 0.242 230 I C 1.807 178.194 176.117 0.450 0.000 1.088 230 I CA 1.236 62.821 61.300 0.474 0.000 1.357 230 I CB -0.380 37.852 38.000 0.387 0.000 1.051 230 I HN 0.151 nan 8.210 nan 0.000 0.409 231 N N 0.793 119.662 118.700 0.282 0.000 2.166 231 N HA -0.175 4.566 4.740 0.000 0.000 0.186 231 N C 1.698 177.311 175.510 0.172 0.000 1.019 231 N CA 1.290 54.463 53.050 0.205 0.000 0.856 231 N CB -0.226 38.329 38.487 0.113 0.000 0.993 231 N HN 0.486 nan 8.380 nan 0.000 0.426 232 E N 0.870 121.144 120.200 0.124 0.000 2.072 232 E HA -0.057 4.293 4.350 0.000 0.000 0.191 232 E C 2.014 178.580 176.600 -0.057 0.000 0.985 232 E CA 0.939 57.294 56.400 -0.076 0.000 0.801 232 E CB -0.079 29.478 29.700 -0.239 0.000 0.750 232 E HN 0.318 nan 8.360 nan 0.000 0.452 233 A N 1.113 124.068 122.820 0.226 0.000 1.865 233 A HA -0.191 4.129 4.320 0.000 0.000 0.217 233 A C 1.944 179.559 177.584 0.053 0.000 1.191 233 A CA 1.340 53.522 52.037 0.242 0.000 0.623 233 A CB -0.893 18.221 19.000 0.190 0.000 0.826 233 A HN 0.179 nan 8.150 nan 0.000 0.444 234 F N -0.184 119.817 119.950 0.086 0.000 2.171 234 F HA -0.106 4.421 4.527 0.000 0.000 0.300 234 F C 2.396 178.209 175.800 0.021 0.000 1.090 234 F CA 1.723 59.758 58.000 0.057 0.000 1.293 234 F CB -0.159 38.879 39.000 0.062 0.000 1.013 234 F HN 0.426 nan 8.300 nan 0.000 0.486 235 E N 0.673 120.970 120.200 0.162 0.000 2.072 235 E HA -0.178 4.172 4.350 0.000 0.000 0.191 235 E C 2.235 178.834 176.600 -0.001 0.000 0.985 235 E CA 1.256 57.692 56.400 0.059 0.000 0.801 235 E CB -0.187 29.516 29.700 0.005 0.000 0.750 235 E HN 0.409 nan 8.360 nan 0.000 0.452 236 I N 0.868 121.408 120.570 -0.050 0.000 2.394 236 I HA -0.181 3.989 4.170 0.000 0.000 0.251 236 I C 2.492 178.608 176.117 -0.002 0.000 1.136 236 I CA 0.815 62.075 61.300 -0.065 0.000 1.425 236 I CB -0.228 37.690 38.000 -0.138 0.000 1.079 236 I HN 0.170 nan 8.210 nan 0.000 0.425 237 A N 0.575 123.399 122.820 0.007 0.000 1.969 237 A HA -0.162 4.158 4.320 0.000 0.000 0.218 237 A C 2.243 179.835 177.584 0.012 0.000 1.169 237 A CA 2.078 54.115 52.037 -0.001 0.000 0.635 237 A CB -0.811 18.148 19.000 -0.068 0.000 0.810 237 A HN 0.498 nan 8.150 nan 0.000 0.445 238 T N -2.464 112.109 114.554 0.031 0.000 3.069 238 T HA 0.303 4.653 4.350 0.000 0.000 0.252 238 T C 0.667 175.380 174.700 0.022 0.000 1.053 238 T CA 0.494 62.617 62.100 0.038 0.000 0.964 238 T CB -0.399 68.512 68.868 0.073 0.000 1.005 238 T HN 0.517 nan 8.240 nan 0.000 0.532 239 S N -0.364 115.342 115.700 0.011 0.000 2.739 239 S HA 0.802 5.272 4.470 0.000 0.000 0.306 239 S C 1.008 175.605 174.600 -0.004 0.000 1.115 239 S CA -0.227 57.975 58.200 0.003 0.000 0.985 239 S CB 1.072 64.269 63.200 -0.005 0.000 1.133 239 S HN 1.064 nan 8.310 nan 0.000 0.541 240 G N 1.420 110.219 108.800 -0.003 0.000 2.596 240 G HA2 -0.312 3.648 3.960 0.000 0.000 0.295 240 G HA3 -0.312 3.648 3.960 0.000 0.000 0.295 240 G C -0.160 174.733 174.900 -0.011 0.000 1.240 240 G CA 0.390 45.486 45.100 -0.008 0.000 0.985 240 G HN 1.036 nan 8.290 nan 0.000 0.555 241 R N 1.644 122.128 120.500 -0.026 0.000 2.216 241 R HA 0.448 4.788 4.340 0.000 0.000 0.332 241 R C -2.194 174.081 176.300 -0.043 0.000 1.056 241 R CA -1.429 54.647 56.100 -0.040 0.000 0.901 241 R CB 0.568 30.827 30.300 -0.069 0.000 1.039 241 R HN 0.275 nan 8.270 nan 0.000 0.456 242 P HA 0.060 nan 4.420 nan 0.000 0.269 242 P C -0.550 176.728 177.300 -0.038 0.000 1.205 242 P CA 0.216 63.305 63.100 -0.019 0.000 0.780 242 P CB 0.722 32.418 31.700 -0.006 0.000 0.858 243 G N 0.561 109.354 108.800 -0.011 0.000 2.441 243 G HA2 0.474 4.434 3.960 0.000 0.000 0.294 243 G HA3 0.474 4.434 3.960 0.000 0.000 0.294 243 G C -3.356 171.574 174.900 0.049 0.000 1.393 243 G CA -0.840 44.264 45.100 0.007 0.000 0.796 243 G HN 0.279 nan 8.290 nan 0.000 0.494 244 P HA 0.582 nan 4.420 nan 0.000 0.284 244 P C -0.416 176.919 177.300 0.058 0.000 1.258 244 P CA -0.521 62.611 63.100 0.053 0.000 0.824 244 P CB 2.022 33.755 31.700 0.056 0.000 1.038 245 V N 0.277 120.175 119.914 -0.026 0.000 3.007 245 V HA 0.706 4.826 4.120 0.000 0.000 0.311 245 V C -1.163 174.837 176.094 -0.156 0.000 1.120 245 V CA -1.151 61.138 62.300 -0.019 0.000 0.980 245 V CB 1.966 33.843 31.823 0.089 0.000 1.033 245 V HN 0.503 nan 8.190 nan 0.000 0.429 246 L N 3.240 124.345 121.223 -0.197 0.000 2.365 246 L HA 0.879 5.219 4.340 0.000 0.000 0.273 246 L C -1.303 175.387 176.870 -0.301 0.000 1.000 246 L CA -0.613 54.074 54.840 -0.255 0.000 0.819 246 L CB 2.077 44.015 42.059 -0.200 0.000 1.284 246 L HN 0.698 nan 8.230 nan 0.000 0.418 247 V N 3.422 123.160 119.914 -0.293 0.000 2.376 247 V HA 0.310 4.430 4.120 0.000 0.000 0.287 247 V C -0.740 175.335 176.094 -0.032 0.000 1.015 247 V CA -0.605 61.596 62.300 -0.165 0.000 0.834 247 V CB 1.411 33.186 31.823 -0.081 0.000 1.001 247 V HN 0.659 nan 8.190 nan 0.000 0.428 248 D N 4.278 124.646 120.400 -0.052 0.000 2.308 248 D HA 0.434 5.074 4.640 0.000 0.000 0.251 248 D C -0.467 175.854 176.300 0.036 0.000 1.127 248 D CA 0.148 54.138 54.000 -0.017 0.000 0.876 248 D CB 1.116 41.881 40.800 -0.058 0.000 1.176 248 D HN 0.420 nan 8.370 nan 0.000 0.446 249 L N 5.786 127.039 121.223 0.051 0.000 2.337 249 L HA 0.367 4.707 4.340 0.000 0.000 0.269 249 L C -2.230 174.651 176.870 0.019 0.000 1.018 249 L CA -1.966 52.905 54.840 0.052 0.000 0.876 249 L CB 1.645 43.739 42.059 0.060 0.000 1.236 249 L HN 0.161 nan 8.230 nan 0.000 0.436 250 P HA -0.014 nan 4.420 nan 0.000 0.264 250 P C 0.558 177.861 177.300 0.006 0.000 1.193 250 P CA 0.005 63.109 63.100 0.007 0.000 0.763 250 P CB 0.838 32.543 31.700 0.009 0.000 0.810 251 K N 3.598 123.999 120.400 0.003 0.000 2.113 251 K HA -0.231 4.089 4.320 0.000 0.000 0.208 251 K C 1.223 177.825 176.600 0.003 0.000 1.047 251 K CA 1.980 58.268 56.287 0.002 0.000 0.928 251 K CB -0.199 32.304 32.500 0.005 0.000 0.716 251 K HN 0.553 nan 8.250 nan 0.000 0.446 252 D N -0.175 120.229 120.400 0.007 0.000 2.224 252 D HA -0.113 4.527 4.640 0.000 0.000 0.205 252 D C 1.817 178.124 176.300 0.011 0.000 0.965 252 D CA 0.713 54.718 54.000 0.009 0.000 0.852 252 D CB -0.219 40.587 40.800 0.010 0.000 0.947 252 D HN 0.107 nan 8.370 nan 0.000 0.494 253 V N 1.464 121.386 119.914 0.014 0.000 2.407 253 V HA -0.163 3.957 4.120 0.000 0.000 0.245 253 V C 2.828 178.932 176.094 0.016 0.000 1.041 253 V CA 2.139 64.451 62.300 0.021 0.000 1.040 253 V CB -0.636 31.205 31.823 0.031 0.000 0.671 253 V HN 0.466 nan 8.190 nan 0.000 0.455 254 T N -1.572 112.985 114.554 0.005 0.000 3.023 254 T HA 0.071 4.421 4.350 0.000 0.000 0.266 254 T C 1.740 176.433 174.700 -0.011 0.000 1.093 254 T CA 1.119 63.213 62.100 -0.010 0.000 1.129 254 T CB -0.093 68.752 68.868 -0.039 0.000 0.899 254 T HN 0.400 nan 8.240 nan 0.000 0.491 255 A N 1.408 124.225 122.820 -0.005 0.000 2.081 255 A HA 0.723 5.043 4.320 0.000 0.000 0.214 255 A C 1.611 179.195 177.584 -0.000 0.000 1.158 255 A CA 0.322 52.356 52.037 -0.005 0.000 0.724 255 A CB -0.789 18.209 19.000 -0.003 0.000 0.826 255 A HN 0.752 nan 8.150 nan 0.000 0.463 256 A N -0.107 122.716 122.820 0.005 0.000 2.466 256 A HA 0.504 4.824 4.320 0.000 0.000 0.238 256 A C 0.019 177.610 177.584 0.010 0.000 1.074 256 A CA 0.061 52.104 52.037 0.010 0.000 0.774 256 A CB -0.100 18.910 19.000 0.016 0.000 1.015 256 A HN 0.387 nan 8.150 nan 0.000 0.498 257 I N 1.198 121.777 120.570 0.014 0.000 2.392 257 I HA 0.188 4.358 4.170 0.000 0.000 0.295 257 I C -0.282 175.852 176.117 0.028 0.000 0.985 257 I CA -0.720 60.590 61.300 0.017 0.000 1.221 257 I CB 1.620 39.630 38.000 0.016 0.000 1.366 257 I HN 0.595 nan 8.210 nan 0.000 0.467 258 L N 7.352 128.598 121.223 0.038 0.000 2.456 258 L HA 0.193 4.533 4.340 0.000 0.000 0.277 258 L C 0.671 177.575 176.870 0.055 0.000 1.124 258 L CA 0.722 55.597 54.840 0.057 0.000 0.880 258 L CB -0.221 41.892 42.059 0.090 0.000 1.192 258 L HN 0.525 nan 8.230 nan 0.000 0.463 259 R N 3.408 123.936 120.500 0.046 0.000 2.546 259 R HA 0.343 4.683 4.340 0.000 0.000 0.320 259 R C -0.574 175.749 176.300 0.039 0.000 1.021 259 R CA -0.224 55.899 56.100 0.039 0.000 1.088 259 R CB 0.134 30.452 30.300 0.030 0.000 1.278 259 R HN 0.622 nan 8.270 nan 0.000 0.557 260 N N 0.943 119.671 118.700 0.047 0.000 2.260 260 N HA 0.318 5.058 4.740 0.000 0.000 0.293 260 N C -2.918 172.621 175.510 0.049 0.000 1.058 260 N CA -1.617 51.458 53.050 0.042 0.000 0.824 260 N CB 2.678 41.189 38.487 0.040 0.000 1.551 260 N HN -0.232 nan 8.380 nan 0.000 0.475 261 P HA 0.295 nan 4.420 nan 0.000 0.271 261 P C -0.432 176.887 177.300 0.032 0.000 1.218 261 P CA -0.138 62.979 63.100 0.029 0.000 0.780 261 P CB 0.720 32.428 31.700 0.013 0.000 0.901 262 I N -1.455 119.131 120.570 0.027 0.000 2.846 262 I HA 0.641 4.812 4.170 0.000 0.000 0.307 262 I C -2.800 173.321 176.117 0.007 0.000 1.053 262 I CA -3.677 57.643 61.300 0.033 0.000 1.050 262 I CB 2.070 40.111 38.000 0.068 0.000 1.239 262 I HN 0.030 nan 8.210 nan 0.000 0.439 263 P HA 0.054 nan 4.420 nan 0.000 0.261 263 P C 0.494 177.785 177.300 -0.015 0.000 1.183 263 P CA 0.279 63.380 63.100 0.002 0.000 0.761 263 P CB 0.604 32.312 31.700 0.014 0.000 0.785 264 T N 3.506 118.041 114.554 -0.032 0.000 2.737 264 T HA -0.231 4.119 4.350 0.000 0.000 0.269 264 T C 1.573 176.250 174.700 -0.038 0.000 1.040 264 T CA 1.707 63.776 62.100 -0.053 0.000 1.142 264 T CB -0.391 68.447 68.868 -0.050 0.000 0.861 264 T HN 0.567 nan 8.240 nan 0.000 0.456 265 K N 1.742 122.131 120.400 -0.018 0.000 2.032 265 K HA -0.152 4.168 4.320 0.000 0.000 0.209 265 K C 2.310 178.913 176.600 0.005 0.000 1.048 265 K CA 1.922 58.205 56.287 -0.008 0.000 0.927 265 K CB -1.229 31.270 32.500 -0.001 0.000 0.712 265 K HN 0.470 nan 8.250 nan 0.000 0.441 266 T N -1.126 113.439 114.554 0.019 0.000 3.139 266 T HA -0.070 4.280 4.350 0.000 0.000 0.267 266 T C 1.654 176.391 174.700 0.062 0.000 1.164 266 T CA 1.248 63.376 62.100 0.046 0.000 1.075 266 T CB -0.554 68.352 68.868 0.063 0.000 0.904 266 T HN 0.546 nan 8.240 nan 0.000 0.540 267 T N -1.248 113.321 114.554 0.025 0.000 3.010 267 T HA 0.438 4.789 4.350 0.000 0.000 0.257 267 T C 0.296 175.001 174.700 0.008 0.000 1.020 267 T CA -0.585 61.534 62.100 0.031 0.000 0.938 267 T CB -0.158 68.650 68.868 -0.100 0.000 1.049 267 T HN 0.376 nan 8.240 nan 0.000 0.522 268 L N 2.498 123.718 121.223 -0.005 0.000 2.287 268 L HA 0.535 4.875 4.340 0.000 0.000 0.287 268 L C -2.246 174.622 176.870 -0.003 0.000 1.022 268 L CA -2.474 52.358 54.840 -0.013 0.000 0.814 268 L CB 1.288 43.333 42.059 -0.025 0.000 1.217 268 L HN -0.042 nan 8.230 nan 0.000 0.420 278 S N 1.179 116.890 115.700 0.018 0.000 2.560 278 S HA 0.237 4.707 4.470 0.000 0.000 0.284 278 S C 1.737 176.352 174.600 0.025 0.000 1.327 278 S CA -0.310 57.900 58.200 0.017 0.000 1.055 278 S CB 0.782 63.989 63.200 0.012 0.000 0.868 278 S HN 0.605 nan 8.310 nan 0.000 0.506 279 R N 3.185 123.698 120.500 0.021 0.000 2.152 279 R HA -0.089 4.251 4.340 0.000 0.000 0.232 279 R C 2.048 178.369 176.300 0.036 0.000 1.117 279 R CA 1.553 57.669 56.100 0.026 0.000 0.981 279 R CB -0.973 29.338 30.300 0.019 0.000 0.870 279 R HN 0.787 nan 8.270 nan 0.000 0.451 280 A N 0.480 123.320 122.820 0.034 0.000 1.897 280 A HA -0.121 4.199 4.320 0.000 0.000 0.215 280 A C 2.090 179.725 177.584 0.085 0.000 1.181 280 A CA 0.710 52.774 52.037 0.045 0.000 0.620 280 A CB -0.348 18.663 19.000 0.018 0.000 0.821 280 A HN 0.235 nan 8.150 nan 0.000 0.443 281 Q N 0.397 120.242 119.800 0.074 0.000 2.002 281 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 281 Q C 1.587 177.675 176.000 0.148 0.000 0.988 281 Q CA 1.955 57.832 55.803 0.124 0.000 0.843 281 Q CB -0.521 28.262 28.738 0.076 0.000 0.908 281 Q HN 0.639 nan 8.270 nan 0.000 0.420 282 D N 0.254 120.704 120.400 0.083 0.000 2.158 282 D HA -0.191 4.449 4.640 0.000 0.000 0.197 282 D C 1.726 178.057 176.300 0.051 0.000 0.995 282 D CA 1.028 55.062 54.000 0.056 0.000 0.846 282 D CB -0.057 40.766 40.800 0.038 0.000 0.941 282 D HN 0.421 nan 8.370 nan 0.000 0.456 283 E N -0.664 119.579 120.200 0.071 0.000 2.150 283 E HA -0.147 4.204 4.350 0.000 0.000 0.193 283 E C 1.840 178.491 176.600 0.084 0.000 0.985 283 E CA 0.300 56.737 56.400 0.063 0.000 0.814 283 E CB -0.048 29.692 29.700 0.067 0.000 0.752 283 E HN 0.172 nan 8.360 nan 0.000 0.466 284 F N 0.166 120.108 119.950 -0.014 0.000 2.206 284 F HA -0.106 4.421 4.527 0.000 0.000 0.298 284 F C 1.806 177.590 175.800 -0.028 0.000 1.090 284 F CA 0.819 58.807 58.000 -0.020 0.000 1.323 284 F CB -0.227 38.760 39.000 -0.021 0.000 1.028 284 F HN -0.149 nan 8.300 nan 0.000 0.492 285 V N 0.349 120.155 119.914 -0.180 0.000 2.358 285 V HA -0.290 3.830 4.120 0.000 0.000 0.246 285 V C 2.385 178.341 176.094 -0.229 0.000 1.047 285 V CA 1.921 64.062 62.300 -0.264 0.000 1.035 285 V CB -0.640 31.136 31.823 -0.079 0.000 0.658 285 V HN 0.411 nan 8.190 nan 0.000 0.452 286 M N -0.074 119.451 119.600 -0.125 0.000 2.213 286 M HA -0.176 4.304 4.480 0.000 0.000 0.263 286 M C 2.097 178.325 176.300 -0.120 0.000 1.062 286 M CA 1.707 56.955 55.300 -0.088 0.000 1.105 286 M CB -0.777 31.801 32.600 -0.036 0.000 1.385 286 M HN 0.370 nan 8.290 nan 0.000 0.417 287 Q N -1.183 118.521 119.800 -0.160 0.000 2.119 287 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 287 Q C 1.821 177.688 176.000 -0.221 0.000 0.972 287 Q CA 1.746 57.457 55.803 -0.152 0.000 0.847 287 Q CB 0.054 28.724 28.738 -0.113 0.000 0.903 287 Q HN 0.554 nan 8.270 nan 0.000 0.433 288 S N 0.670 116.147 115.700 -0.370 0.000 2.368 288 S HA -0.099 4.371 4.470 0.000 0.000 0.224 288 S C 1.861 176.312 174.600 -0.247 0.000 1.029 288 S CA 0.989 58.968 58.200 -0.369 0.000 0.988 288 S CB -0.174 62.718 63.200 -0.514 0.000 0.838 288 S HN 0.369 nan 8.310 nan 0.000 0.462 289 I N 2.207 122.656 120.570 -0.201 0.000 2.226 289 I HA -0.210 3.961 4.170 0.000 0.000 0.245 289 I C 2.057 178.126 176.117 -0.080 0.000 1.100 289 I CA 0.883 62.117 61.300 -0.110 0.000 1.374 289 I CB -0.428 37.540 38.000 -0.054 0.000 1.057 289 I HN 0.242 nan 8.210 nan 0.000 0.413 290 N N 1.084 119.731 118.700 -0.088 0.000 2.142 290 N HA -0.151 4.589 4.740 0.000 0.000 0.186 290 N C 1.756 177.219 175.510 -0.078 0.000 1.023 290 N CA 1.234 54.241 53.050 -0.071 0.000 0.852 290 N CB -0.202 38.250 38.487 -0.058 0.000 0.998 290 N HN 0.381 nan 8.380 nan 0.000 0.424 291 K N 0.790 121.135 120.400 -0.091 0.000 2.057 291 K HA 0.042 4.362 4.320 0.000 0.000 0.206 291 K C 2.078 178.633 176.600 -0.074 0.000 1.050 291 K CA 1.083 57.323 56.287 -0.079 0.000 0.935 291 K CB -0.095 32.353 32.500 -0.087 0.000 0.715 291 K HN 0.107 nan 8.250 nan 0.000 0.439 292 A N 1.618 124.387 122.820 -0.086 0.000 1.902 292 A HA -0.144 4.176 4.320 0.000 0.000 0.217 292 A C 2.383 179.954 177.584 -0.022 0.000 1.181 292 A CA 1.912 53.921 52.037 -0.048 0.000 0.623 292 A CB -0.713 18.252 19.000 -0.059 0.000 0.818 292 A HN 0.335 nan 8.150 nan 0.000 0.443 293 A N 0.108 122.900 122.820 -0.046 0.000 1.877 293 A HA -0.198 4.122 4.320 0.000 0.000 0.216 293 A C 1.788 179.277 177.584 -0.159 0.000 1.186 293 A CA 1.905 53.884 52.037 -0.096 0.000 0.620 293 A CB -0.645 18.284 19.000 -0.119 0.000 0.822 293 A HN 0.474 nan 8.150 nan 0.000 0.443 294 D N -0.416 119.904 120.400 -0.134 0.000 2.123 294 D HA -0.138 4.503 4.640 0.000 0.000 0.196 294 D C 1.807 178.054 176.300 -0.089 0.000 0.992 294 D CA 1.190 55.114 54.000 -0.127 0.000 0.833 294 D CB -0.431 40.326 40.800 -0.072 0.000 0.954 294 D HN 0.304 nan 8.370 nan 0.000 0.455 295 L N 0.863 122.051 121.223 -0.058 0.000 2.093 295 L HA -0.054 4.286 4.340 0.000 0.000 0.208 295 L C 2.199 179.052 176.870 -0.029 0.000 1.085 295 L CA 1.131 55.951 54.840 -0.033 0.000 0.755 295 L CB -0.436 41.612 42.059 -0.018 0.000 0.904 295 L HN 0.015 nan 8.230 nan 0.000 0.435 296 I N -0.495 120.056 120.570 -0.033 0.000 2.315 296 I HA -0.263 3.907 4.170 0.000 0.000 0.248 296 I C 1.654 177.746 176.117 -0.043 0.000 1.117 296 I CA 0.832 62.120 61.300 -0.019 0.000 1.404 296 I CB -0.411 37.587 38.000 -0.004 0.000 1.071 296 I HN 0.330 nan 8.210 nan 0.000 0.419 297 N N 0.629 119.265 118.700 -0.107 0.000 2.520 297 N HA -0.052 4.688 4.740 0.000 0.000 0.185 297 N C 1.733 177.247 175.510 0.007 0.000 1.068 297 N CA 0.881 53.872 53.050 -0.099 0.000 0.911 297 N CB 0.105 38.373 38.487 -0.365 0.000 0.961 297 N HN 0.397 nan 8.380 nan 0.000 0.446 298 L N 0.178 121.394 121.223 -0.012 0.000 2.408 298 L HA 0.246 4.587 4.340 0.000 0.000 0.215 298 L C 0.635 177.495 176.870 -0.016 0.000 1.081 298 L CA -0.146 54.694 54.840 0.000 0.000 0.840 298 L CB -0.071 41.983 42.059 -0.009 0.000 1.002 298 L HN -0.044 nan 8.230 nan 0.000 0.468 299 A N -0.071 122.734 122.820 -0.026 0.000 2.531 299 A HA -0.021 4.299 4.320 0.000 0.000 0.236 299 A C 0.777 178.313 177.584 -0.079 0.000 1.062 299 A CA 0.344 52.348 52.037 -0.055 0.000 0.760 299 A CB 0.374 19.348 19.000 -0.042 0.000 0.995 299 A HN 0.168 nan 8.150 nan 0.000 0.501 300 K N 0.033 120.344 120.400 -0.147 0.000 2.399 300 K HA 0.174 4.494 4.320 0.000 0.000 0.196 300 K C 0.069 176.434 176.600 -0.392 0.000 1.117 300 K CA 1.040 57.216 56.287 -0.185 0.000 0.965 300 K CB 0.522 32.928 32.500 -0.157 0.000 0.983 300 K HN 0.658 nan 8.250 nan 0.000 0.531 301 K N 1.332 121.380 120.400 -0.587 0.000 3.146 301 K HA 0.227 4.547 4.320 0.000 0.000 0.168 301 K C -2.777 173.403 176.600 -0.700 0.000 1.075 301 K CA -1.408 54.063 56.287 -1.359 0.000 0.843 301 K CB 1.797 33.334 32.500 -1.605 0.000 1.002 301 K HN 0.002 nan 8.250 nan 0.000 0.597 302 P HA 0.209 nan 4.420 nan 0.000 0.277 302 P C -0.388 177.110 177.300 0.331 0.000 1.240 302 P CA -0.347 62.800 63.100 0.078 0.000 0.798 302 P CB 1.756 33.511 31.700 0.091 0.000 0.979 303 V N 3.185 123.244 119.914 0.241 0.000 2.808 303 V HA 0.302 4.422 4.120 0.000 0.000 0.308 303 V C 0.068 176.250 176.094 0.146 0.000 1.099 303 V CA -0.735 61.706 62.300 0.236 0.000 0.920 303 V CB 2.237 34.206 31.823 0.242 0.000 1.014 303 V HN 0.421 nan 8.190 nan 0.000 0.425 304 L N 4.415 125.686 121.223 0.079 0.000 2.265 304 L HA 0.460 4.800 4.340 0.000 0.000 0.289 304 L C -1.144 175.766 176.870 0.066 0.000 1.033 304 L CA -0.633 54.230 54.840 0.038 0.000 0.814 304 L CB 0.971 42.991 42.059 -0.066 0.000 1.203 304 L HN 0.750 nan 8.230 nan 0.000 0.423 305 Y N 5.718 125.994 120.300 -0.040 0.000 2.595 305 Y HA 0.503 5.053 4.550 0.000 0.000 0.336 305 Y C -0.917 174.930 175.900 -0.088 0.000 0.996 305 Y CA -1.108 56.948 58.100 -0.075 0.000 1.260 305 Y CB 0.650 39.059 38.460 -0.085 0.000 1.108 305 Y HN 0.177 nan 8.280 nan 0.000 0.509 306 V N 6.318 126.145 119.914 -0.145 0.000 2.472 306 V HA 0.836 4.956 4.120 0.000 0.000 0.290 306 V C 0.550 176.507 176.094 -0.227 0.000 1.037 306 V CA -0.021 62.147 62.300 -0.220 0.000 0.908 306 V CB 1.085 32.832 31.823 -0.127 0.000 0.985 306 V HN 0.941 nan 8.190 nan 0.000 0.454 307 G N 1.878 110.528 108.800 -0.250 0.000 3.251 307 G HA2 0.583 4.543 3.960 0.000 0.000 0.248 307 G HA3 0.583 4.543 3.960 0.000 0.000 0.248 307 G C 0.866 175.700 174.900 -0.110 0.000 1.320 307 G CA 0.041 45.032 45.100 -0.182 0.000 0.982 307 G HN 0.845 nan 8.290 nan 0.000 0.575 308 A N -0.821 121.946 122.820 -0.087 0.000 2.024 308 A HA 0.075 4.395 4.320 0.000 0.000 0.220 308 A C 2.490 180.054 177.584 -0.034 0.000 1.164 308 A CA 2.500 54.502 52.037 -0.058 0.000 0.643 308 A CB -1.034 17.932 19.000 -0.056 0.000 0.806 308 A HN 1.266 nan 8.150 nan 0.000 0.451 309 G N -0.190 108.586 108.800 -0.040 0.000 2.450 309 G HA2 -0.197 3.764 3.960 0.000 0.000 0.220 309 G HA3 -0.197 3.764 3.960 0.000 0.000 0.220 309 G C 1.361 176.262 174.900 0.002 0.000 1.130 309 G CA 1.152 46.244 45.100 -0.013 0.000 0.760 309 G HN 0.485 nan 8.290 nan 0.000 0.557 310 I N 0.400 120.956 120.570 -0.024 0.000 2.756 310 I HA 0.085 4.256 4.170 0.000 0.000 0.262 310 I C 2.113 178.243 176.117 0.021 0.000 1.225 310 I CA 0.525 61.815 61.300 -0.017 0.000 1.472 310 I CB 0.042 38.014 38.000 -0.047 0.000 1.094 310 I HN 0.097 nan 8.210 nan 0.000 0.454 311 L N -0.477 120.757 121.223 0.018 0.000 2.591 311 L HA 0.083 4.423 4.340 0.000 0.000 0.228 311 L C 1.120 178.108 176.870 0.197 0.000 1.133 311 L CA 0.342 55.210 54.840 0.047 0.000 0.880 311 L CB -0.615 41.415 42.059 -0.049 0.000 1.033 311 L HN 0.202 nan 8.230 nan 0.000 0.450 312 N N -0.861 117.920 118.700 0.134 0.000 2.362 312 N HA -0.006 4.734 4.740 0.000 0.000 0.204 312 N C -0.178 175.417 175.510 0.142 0.000 1.166 312 N CA -0.020 53.103 53.050 0.122 0.000 0.831 312 N CB 0.233 38.764 38.487 0.073 0.000 1.008 312 N HN 0.174 nan 8.380 nan 0.000 0.472 313 H N -0.606 118.510 119.070 0.077 0.000 3.026 313 H HA 0.250 4.806 4.556 0.000 0.000 0.352 313 H C 0.045 175.423 175.328 0.083 0.000 1.090 313 H CA -0.530 55.554 56.048 0.059 0.000 1.268 313 H CB 1.656 31.440 29.762 0.036 0.000 1.816 313 H HN -0.001 nan 8.280 nan 0.000 0.518 314 A N 3.111 126.036 122.820 0.175 0.000 1.940 314 A HA -0.163 4.157 4.320 0.000 0.000 0.219 314 A C 1.292 179.037 177.584 0.269 0.000 1.176 314 A CA 1.911 54.071 52.037 0.205 0.000 0.631 314 A CB -0.040 19.008 19.000 0.080 0.000 0.814 314 A HN 0.697 nan 8.150 nan 0.000 0.446 315 D N -0.698 119.962 120.400 0.434 0.000 2.340 315 D HA 0.104 4.744 4.640 0.000 0.000 0.220 315 D C 1.852 178.176 176.300 0.041 0.000 1.039 315 D CA 0.780 54.874 54.000 0.157 0.000 0.866 315 D CB -0.361 40.477 40.800 0.063 0.000 0.913 315 D HN 0.411 nan 8.370 nan 0.000 0.523 316 G N 2.575 111.422 108.800 0.078 0.000 2.586 316 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 316 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 316 G C -0.657 174.249 174.900 0.010 0.000 1.216 316 G CA 0.633 45.740 45.100 0.011 0.000 0.786 316 G HN 0.279 nan 8.290 nan 0.000 0.583 317 P HA -0.096 nan 4.420 nan 0.000 0.216 317 P C 1.964 179.295 177.300 0.051 0.000 1.153 317 P CA 1.324 64.453 63.100 0.049 0.000 0.858 317 P CB -0.092 31.631 31.700 0.039 0.000 0.789 318 R N -0.186 120.337 120.500 0.038 0.000 2.073 318 R HA -0.105 4.235 4.340 0.000 0.000 0.234 318 R C 2.200 178.513 176.300 0.022 0.000 1.134 318 R CA 1.438 57.557 56.100 0.031 0.000 0.952 318 R CB -0.929 29.390 30.300 0.031 0.000 0.850 318 R HN 0.182 nan 8.270 nan 0.000 0.433 319 L N 0.768 121.989 121.223 -0.004 0.000 2.141 319 L HA -0.170 4.170 4.340 0.000 0.000 0.209 319 L C 2.449 179.308 176.870 -0.018 0.000 1.094 319 L CA 0.352 55.176 54.840 -0.026 0.000 0.763 319 L CB -0.384 41.629 42.059 -0.076 0.000 0.908 319 L HN 0.278 nan 8.230 nan 0.000 0.437 320 L N 0.473 121.695 121.223 -0.002 0.000 2.027 320 L HA -0.220 4.120 4.340 0.000 0.000 0.206 320 L C 2.544 179.479 176.870 0.108 0.000 1.074 320 L CA 1.888 56.739 54.840 0.019 0.000 0.745 320 L CB -0.648 41.440 42.059 0.049 0.000 0.898 320 L HN 0.128 nan 8.230 nan 0.000 0.433 321 K N -0.500 119.997 120.400 0.162 0.000 2.057 321 K HA -0.263 4.057 4.320 0.000 0.000 0.207 321 K C 2.155 178.836 176.600 0.136 0.000 1.049 321 K CA 1.822 58.235 56.287 0.211 0.000 0.931 321 K CB -0.263 32.299 32.500 0.104 0.000 0.714 321 K HN 0.575 nan 8.250 nan 0.000 0.440 322 E N 0.427 120.673 120.200 0.077 0.000 2.038 322 E HA -0.229 4.121 4.350 0.000 0.000 0.195 322 E C 2.091 178.727 176.600 0.060 0.000 1.000 322 E CA 1.287 57.721 56.400 0.058 0.000 0.803 322 E CB -0.123 29.596 29.700 0.032 0.000 0.750 322 E HN 0.280 nan 8.360 nan 0.000 0.448 323 L N 0.769 122.016 121.223 0.039 0.000 2.012 323 L HA -0.182 4.158 4.340 0.000 0.000 0.210 323 L C 2.443 179.351 176.870 0.063 0.000 1.073 323 L CA 2.378 57.235 54.840 0.028 0.000 0.748 323 L CB -1.016 41.029 42.059 -0.023 0.000 0.891 323 L HN 0.084 nan 8.230 nan 0.000 0.431 324 S N -0.878 114.875 115.700 0.090 0.000 2.359 324 S HA -0.210 4.260 4.470 0.000 0.000 0.224 324 S C 1.742 176.440 174.600 0.163 0.000 1.035 324 S CA 1.626 59.903 58.200 0.127 0.000 1.018 324 S CB -0.469 62.841 63.200 0.185 0.000 0.876 324 S HN 0.628 nan 8.310 nan 0.000 0.448 325 D N 0.761 121.254 120.400 0.156 0.000 2.097 325 D HA -0.076 4.564 4.640 0.000 0.000 0.197 325 D C 2.191 178.559 176.300 0.114 0.000 0.984 325 D CA 0.921 55.005 54.000 0.141 0.000 0.826 325 D CB -0.487 40.379 40.800 0.110 0.000 0.973 325 D HN 0.411 nan 8.370 nan 0.000 0.460 326 R N 0.521 121.076 120.500 0.093 0.000 2.083 326 R HA -0.097 4.243 4.340 0.000 0.000 0.237 326 R C 1.572 177.924 176.300 0.087 0.000 1.137 326 R CA 1.716 57.864 56.100 0.080 0.000 0.951 326 R CB -0.072 30.267 30.300 0.066 0.000 0.851 326 R HN 0.114 nan 8.270 nan 0.000 0.434 327 A N -0.221 122.655 122.820 0.093 0.000 2.387 327 A HA 0.119 4.439 4.320 0.000 0.000 0.234 327 A C -0.213 177.447 177.584 0.126 0.000 1.253 327 A CA -0.248 51.847 52.037 0.097 0.000 0.894 327 A CB 0.525 19.573 19.000 0.080 0.000 0.963 327 A HN 0.401 nan 8.150 nan 0.000 0.508 328 Q N -0.444 119.452 119.800 0.161 0.000 2.453 328 Q HA -0.173 4.167 4.340 0.000 0.000 0.330 328 Q C -0.752 175.479 176.000 0.386 0.000 1.417 328 Q CA 1.007 56.964 55.803 0.256 0.000 0.902 328 Q CB -1.806 26.977 28.738 0.076 0.000 1.154 328 Q HN 0.747 nan 8.270 nan 0.000 0.395 329 I N 0.971 121.723 120.570 0.302 0.000 2.362 329 I HA 0.310 4.480 4.170 0.000 0.000 0.289 329 I C -2.030 174.184 176.117 0.162 0.000 0.994 329 I CA -2.253 59.210 61.300 0.273 0.000 1.158 329 I CB 1.762 39.857 38.000 0.158 0.000 1.315 329 I HN -0.112 nan 8.210 nan 0.000 0.451 330 P HA 0.114 nan 4.420 nan 0.000 0.269 330 P C -0.868 176.343 177.300 -0.148 0.000 1.209 330 P CA -0.136 62.907 63.100 -0.096 0.000 0.776 330 P CB 0.792 32.391 31.700 -0.167 0.000 0.876 331 V N 2.270 121.979 119.914 -0.342 0.000 2.487 331 V HA 0.533 4.653 4.120 0.000 0.000 0.298 331 V C 0.152 176.065 176.094 -0.302 0.000 1.028 331 V CA -0.268 61.740 62.300 -0.487 0.000 0.860 331 V CB 1.821 32.867 31.823 -1.295 0.000 0.991 331 V HN 0.521 nan 8.190 nan 0.000 0.427 332 T N 3.080 117.548 114.554 -0.144 0.000 2.876 332 T HA 0.732 5.082 4.350 0.000 0.000 0.289 332 T C -0.261 174.446 174.700 0.012 0.000 1.014 332 T CA -0.095 61.983 62.100 -0.037 0.000 0.986 332 T CB 1.576 70.446 68.868 0.003 0.000 1.021 332 T HN 0.985 nan 8.240 nan 0.000 0.458 333 T N 0.800 115.377 114.554 0.039 0.000 2.930 333 T HA 0.740 5.090 4.350 0.000 0.000 0.290 333 T C 0.635 175.376 174.700 0.068 0.000 1.052 333 T CA -0.498 61.627 62.100 0.042 0.000 1.017 333 T CB 1.285 70.168 68.868 0.024 0.000 1.137 333 T HN 0.790 nan 8.240 nan 0.000 0.511 334 T N -0.141 114.446 114.554 0.054 0.000 2.814 334 T HA 0.341 4.691 4.350 0.000 0.000 0.284 334 T C 1.349 176.060 174.700 0.018 0.000 0.998 334 T CA -0.599 61.537 62.100 0.059 0.000 0.935 334 T CB 0.305 69.200 68.868 0.044 0.000 1.167 334 T HN 0.522 nan 8.240 nan 0.000 0.545 335 L N 0.423 121.658 121.223 0.020 0.000 2.046 335 L HA -0.034 4.306 4.340 0.000 0.000 0.208 335 L C 2.509 179.388 176.870 0.015 0.000 1.077 335 L CA 1.713 56.577 54.840 0.040 0.000 0.747 335 L CB -0.904 41.178 42.059 0.039 0.000 0.896 335 L HN 0.589 nan 8.230 nan 0.000 0.432 336 Q N -0.688 119.088 119.800 -0.041 0.000 2.444 336 Q HA 0.113 4.453 4.340 0.000 0.000 0.206 336 Q C 1.722 177.679 176.000 -0.071 0.000 0.948 336 Q CA 0.912 56.669 55.803 -0.077 0.000 0.946 336 Q CB 0.008 28.692 28.738 -0.091 0.000 1.027 336 Q HN 0.629 nan 8.270 nan 0.000 0.513 337 G N -0.254 108.509 108.800 -0.061 0.000 3.126 337 G HA2 0.177 4.137 3.960 0.000 0.000 0.224 337 G HA3 0.177 4.137 3.960 0.000 0.000 0.224 337 G C 0.471 175.330 174.900 -0.068 0.000 1.142 337 G CA -0.340 44.722 45.100 -0.063 0.000 0.759 337 G HN 0.151 nan 8.290 nan 0.000 0.550 338 L N 0.990 122.136 121.223 -0.129 0.000 2.559 338 L HA 0.336 4.676 4.340 0.000 0.000 0.274 338 L C 1.582 178.317 176.870 -0.227 0.000 1.205 338 L CA 1.247 55.917 54.840 -0.283 0.000 0.907 338 L CB 0.619 42.197 42.059 -0.802 0.000 1.153 338 L HN 0.329 nan 8.230 nan 0.000 0.490 339 G N 1.399 110.196 108.800 -0.005 0.000 2.218 339 G HA2 -0.312 3.648 3.960 0.000 0.000 0.216 339 G HA3 -0.312 3.648 3.960 0.000 0.000 0.216 339 G C 0.947 175.880 174.900 0.055 0.000 0.994 339 G CA 0.383 45.541 45.100 0.096 0.000 0.637 339 G HN 0.695 nan 8.290 nan 0.000 0.505 340 S N -1.136 114.588 115.700 0.040 0.000 2.470 340 S HA 0.520 4.990 4.470 0.000 0.000 0.225 340 S C 0.519 175.217 174.600 0.164 0.000 1.006 340 S CA 0.756 58.984 58.200 0.046 0.000 0.934 340 S CB 0.192 63.401 63.200 0.016 0.000 0.778 340 S HN 0.994 nan 8.310 nan 0.000 0.517 341 F N 2.250 122.212 119.950 0.020 0.000 2.540 341 F HA 0.487 5.015 4.527 0.000 0.000 0.317 341 F C -0.797 175.043 175.800 0.067 0.000 1.104 341 F CA -1.638 56.382 58.000 0.034 0.000 0.913 341 F CB 1.695 40.711 39.000 0.026 0.000 1.170 341 F HN -0.104 nan 8.300 nan 0.000 0.450 342 D N 4.312 124.368 120.400 -0.572 0.000 2.346 342 D HA 0.039 4.679 4.640 0.000 0.000 0.260 342 D C 0.617 176.766 176.300 -0.252 0.000 1.252 342 D CA 0.509 54.306 54.000 -0.337 0.000 0.895 342 D CB 1.053 41.636 40.800 -0.362 0.000 1.097 342 D HN 0.708 nan 8.370 nan 0.000 0.489 343 Q N 2.298 122.105 119.800 0.010 0.000 2.488 343 Q HA -0.080 4.260 4.340 0.000 0.000 0.211 343 Q C 0.817 176.833 176.000 0.026 0.000 0.967 343 Q CA 0.533 56.393 55.803 0.095 0.000 0.926 343 Q CB 0.490 29.322 28.738 0.157 0.000 0.992 343 Q HN 0.510 nan 8.270 nan 0.000 0.506 344 E N 0.811 120.989 120.200 -0.036 0.000 2.371 344 E HA -0.047 4.303 4.350 0.000 0.000 0.194 344 E C 0.239 176.814 176.600 -0.041 0.000 1.012 344 E CA 0.275 56.652 56.400 -0.039 0.000 0.860 344 E CB 0.053 29.721 29.700 -0.052 0.000 0.811 344 E HN 0.289 nan 8.360 nan 0.000 0.502 345 D N 1.592 121.946 120.400 -0.077 0.000 2.390 345 D HA -0.014 4.626 4.640 0.000 0.000 0.249 345 D C -1.438 174.886 176.300 0.039 0.000 1.144 345 D CA -1.624 52.346 54.000 -0.049 0.000 0.880 345 D CB 1.615 42.308 40.800 -0.179 0.000 1.182 345 D HN -0.105 nan 8.370 nan 0.000 0.451 346 P HA -0.125 nan 4.420 nan 0.000 0.221 346 P C 0.563 177.841 177.300 -0.038 0.000 1.145 346 P CA 0.958 64.061 63.100 0.004 0.000 0.795 346 P CB 0.299 32.007 31.700 0.013 0.000 0.775 347 K N -0.108 120.317 120.400 0.041 0.000 2.487 347 K HA 0.093 4.413 4.320 0.000 0.000 0.192 347 K C 0.994 177.627 176.600 0.055 0.000 1.027 347 K CA -0.028 56.237 56.287 -0.036 0.000 1.054 347 K CB -0.012 32.544 32.500 0.095 0.000 0.824 347 K HN 0.024 nan 8.250 nan 0.000 0.510 348 S N 0.933 116.772 115.700 0.231 0.000 2.528 348 S HA 0.188 4.658 4.470 0.000 0.000 0.277 348 S C 0.800 175.424 174.600 0.041 0.000 1.297 348 S CA -0.538 57.817 58.200 0.258 0.000 1.052 348 S CB 0.501 63.924 63.200 0.370 0.000 0.917 348 S HN 0.207 nan 8.310 nan 0.000 0.492 349 L N 3.698 124.911 121.223 -0.017 0.000 2.640 349 L HA 0.310 4.650 4.340 0.000 0.000 0.230 349 L C 1.010 177.873 176.870 -0.012 0.000 1.123 349 L CA 0.032 54.842 54.840 -0.051 0.000 0.900 349 L CB -0.449 41.560 42.059 -0.084 0.000 1.146 349 L HN 0.817 nan 8.230 nan 0.000 0.484 350 D N -0.086 120.349 120.400 0.059 0.000 3.876 350 D HA -0.259 4.381 4.640 0.000 0.000 0.275 350 D C -0.275 176.083 176.300 0.096 0.000 2.055 350 D CA 0.652 54.721 54.000 0.116 0.000 1.173 350 D CB -0.142 40.725 40.800 0.111 0.000 0.929 350 D HN -0.016 nan 8.370 nan 0.000 1.134 351 M N 1.248 120.933 119.600 0.142 0.000 2.233 351 M HA 0.425 4.905 4.480 0.000 0.000 0.350 351 M C 0.122 176.463 176.300 0.067 0.000 1.176 351 M CA -0.329 55.036 55.300 0.109 0.000 1.150 351 M CB 0.577 33.256 32.600 0.131 0.000 1.530 351 M HN 0.362 nan 8.290 nan 0.000 0.459 352 L N 2.688 123.934 121.223 0.038 0.000 2.335 352 L HA 1.109 5.449 4.340 0.000 0.000 0.268 352 L C -0.077 176.792 176.870 -0.001 0.000 1.016 352 L CA -0.191 54.645 54.840 -0.007 0.000 0.805 352 L CB 1.542 43.577 42.059 -0.039 0.000 1.311 352 L HN 0.840 nan 8.230 nan 0.000 0.456 353 G N 0.096 108.880 108.800 -0.027 0.000 2.422 353 G HA2 -0.205 3.755 3.960 0.000 0.000 0.607 353 G HA3 -0.205 3.755 3.960 0.000 0.000 0.607 353 G C 0.019 174.897 174.900 -0.035 0.000 1.270 353 G CA -0.006 45.076 45.100 -0.029 0.000 0.992 353 G HN 1.094 nan 8.290 nan 0.000 0.499 354 M N -0.820 118.738 119.600 -0.070 0.000 2.103 354 M HA -0.156 4.324 4.480 0.000 0.000 0.255 354 M C 1.399 177.536 176.300 -0.271 0.000 1.074 354 M CA 2.523 57.715 55.300 -0.179 0.000 1.090 354 M CB -0.230 32.229 32.600 -0.235 0.000 1.325 354 M HN 0.579 nan 8.290 nan 0.000 0.403 355 H N -0.432 118.667 119.070 0.049 0.000 2.475 355 H HA 0.388 4.944 4.556 0.000 0.000 0.276 355 H C 0.292 175.664 175.328 0.074 0.000 1.126 355 H CA 0.268 56.347 56.048 0.051 0.000 1.023 355 H CB -0.472 29.298 29.762 0.013 0.000 1.669 355 H HN 0.423 nan 8.280 nan 0.000 0.573 356 G N 0.030 108.906 108.800 0.126 0.000 2.528 356 G HA2 0.172 4.132 3.960 0.000 0.000 0.289 356 G HA3 0.172 4.132 3.960 0.000 0.000 0.289 356 G C -0.076 174.870 174.900 0.077 0.000 1.192 356 G CA -0.439 44.735 45.100 0.124 0.000 0.921 356 G HN 0.426 nan 8.290 nan 0.000 0.512 357 C N 1.090 120.414 119.300 0.040 0.000 2.596 357 C HA 0.363 4.823 4.460 0.000 0.000 0.414 357 C C 2.163 176.935 174.990 -0.364 0.000 1.396 357 C CA 0.196 59.034 59.018 -0.301 0.000 1.698 357 C CB -0.576 26.931 27.740 -0.389 0.000 2.572 357 C HN 0.913 nan 8.230 nan 0.000 0.604 358 A N 4.765 127.253 122.820 -0.553 0.000 1.940 358 A HA -0.119 4.201 4.320 0.000 0.000 0.219 358 A C 2.162 179.377 177.584 -0.615 0.000 1.176 358 A CA 2.593 54.096 52.037 -0.889 0.000 0.631 358 A CB -0.976 17.159 19.000 -1.443 0.000 0.814 358 A HN 0.968 nan 8.150 nan 0.000 0.446 359 T N 0.183 114.516 114.554 -0.368 0.000 2.746 359 T HA 0.001 4.351 4.350 0.000 0.000 0.267 359 T C 2.215 176.779 174.700 -0.226 0.000 1.039 359 T CA 1.491 63.462 62.100 -0.215 0.000 1.142 359 T CB -0.408 68.438 68.868 -0.036 0.000 0.866 359 T HN 0.614 nan 8.240 nan 0.000 0.444 360 A N 2.447 125.147 122.820 -0.201 0.000 1.877 360 A HA -0.141 4.179 4.320 0.000 0.000 0.216 360 A C 2.278 179.767 177.584 -0.158 0.000 1.186 360 A CA 1.432 53.386 52.037 -0.138 0.000 0.620 360 A CB -0.585 18.360 19.000 -0.093 0.000 0.822 360 A HN 0.371 nan 8.150 nan 0.000 0.443 361 N N 0.163 118.735 118.700 -0.213 0.000 2.142 361 N HA -0.073 4.667 4.740 0.000 0.000 0.186 361 N C 1.669 177.042 175.510 -0.229 0.000 1.023 361 N CA 1.254 54.197 53.050 -0.179 0.000 0.852 361 N CB -0.502 37.886 38.487 -0.164 0.000 0.998 361 N HN 0.495 nan 8.380 nan 0.000 0.424 362 L N 0.673 121.642 121.223 -0.423 0.000 2.046 362 L HA -0.094 4.246 4.340 0.000 0.000 0.208 362 L C 2.399 179.006 176.870 -0.439 0.000 1.077 362 L CA 1.055 55.494 54.840 -0.669 0.000 0.747 362 L CB -0.466 40.655 42.059 -1.564 0.000 0.896 362 L HN 0.110 nan 8.230 nan 0.000 0.432 363 A N -0.445 122.232 122.820 -0.238 0.000 1.902 363 A HA -0.160 4.160 4.320 0.000 0.000 0.217 363 A C 2.317 180.031 177.584 0.217 0.000 1.181 363 A CA 1.824 53.955 52.037 0.157 0.000 0.623 363 A CB -0.807 18.229 19.000 0.059 0.000 0.818 363 A HN 0.202 nan 8.150 nan 0.000 0.443 364 V N -0.049 119.883 119.914 0.030 0.000 2.427 364 V HA -0.202 3.918 4.120 0.000 0.000 0.248 364 V C 2.526 178.561 176.094 -0.099 0.000 1.051 364 V CA 1.853 64.134 62.300 -0.031 0.000 1.048 364 V CB -0.609 31.157 31.823 -0.095 0.000 0.666 364 V HN 0.538 nan 8.190 nan 0.000 0.456 365 Q N -0.338 119.410 119.800 -0.087 0.000 2.369 365 Q HA -0.005 4.335 4.340 0.000 0.000 0.206 365 Q C 1.558 177.556 176.000 -0.004 0.000 0.963 365 Q CA 0.776 56.523 55.803 -0.093 0.000 0.894 365 Q CB -0.184 28.504 28.738 -0.082 0.000 0.965 365 Q HN 0.645 nan 8.270 nan 0.000 0.475 366 N N -0.498 118.275 118.700 0.121 0.000 2.197 366 N HA 0.132 4.872 4.740 0.000 0.000 0.201 366 N C -0.033 175.559 175.510 0.136 0.000 1.148 366 N CA 0.083 53.264 53.050 0.219 0.000 0.883 366 N CB 0.830 39.615 38.487 0.498 0.000 1.012 366 N HN 0.010 nan 8.380 nan 0.000 0.507 367 A N 1.571 124.470 122.820 0.131 0.000 2.445 367 A HA 0.069 4.389 4.320 0.000 0.000 0.242 367 A C 0.991 178.506 177.584 -0.115 0.000 1.075 367 A CA 0.025 52.042 52.037 -0.034 0.000 0.777 367 A CB 0.299 19.364 19.000 0.109 0.000 1.013 367 A HN 0.243 nan 8.150 nan 0.000 0.493 368 D N 0.187 120.473 120.400 -0.191 0.000 2.366 368 D HA 0.128 4.768 4.640 0.000 0.000 0.205 368 D C -0.027 176.225 176.300 -0.079 0.000 1.022 368 D CA 0.220 54.141 54.000 -0.132 0.000 0.868 368 D CB 0.074 40.780 40.800 -0.158 0.000 0.953 368 D HN 0.262 nan 8.370 nan 0.000 0.514 369 L N 0.679 121.865 121.223 -0.061 0.000 2.476 369 L HA 0.457 4.797 4.340 0.000 0.000 0.269 369 L C -1.736 175.164 176.870 0.051 0.000 0.965 369 L CA -0.748 54.091 54.840 -0.001 0.000 0.845 369 L CB 2.057 44.116 42.059 0.000 0.000 1.259 369 L HN -0.123 nan 8.230 nan 0.000 0.403 370 I N 6.300 126.921 120.570 0.085 0.000 2.339 370 I HA 0.399 4.569 4.170 0.000 0.000 0.290 370 I C -0.451 175.791 176.117 0.209 0.000 0.994 370 I CA -0.379 61.009 61.300 0.147 0.000 1.191 370 I CB 1.433 39.525 38.000 0.154 0.000 1.343 370 I HN 0.505 nan 8.210 nan 0.000 0.458 371 I N 6.725 127.420 120.570 0.208 0.000 2.313 371 I HA 0.354 4.524 4.170 0.000 0.000 0.286 371 I C 0.539 176.800 176.117 0.240 0.000 1.091 371 I CA -0.365 61.078 61.300 0.239 0.000 1.216 371 I CB 0.931 39.036 38.000 0.176 0.000 1.434 371 I HN 0.558 nan 8.210 nan 0.000 0.487 372 A N 6.607 129.618 122.820 0.318 0.000 2.347 372 A HA 0.561 4.881 4.320 0.000 0.000 0.287 372 A C -0.123 177.596 177.584 0.225 0.000 1.199 372 A CA -0.218 51.920 52.037 0.169 0.000 0.851 372 A CB 0.302 19.428 19.000 0.211 0.000 1.118 372 A HN 0.477 nan 8.150 nan 0.000 0.525 373 V N 2.725 122.617 119.914 -0.035 0.000 2.349 373 V HA 0.567 4.687 4.120 0.000 0.000 0.284 373 V C 1.022 177.061 176.094 -0.092 0.000 1.014 373 V CA 0.343 62.627 62.300 -0.027 0.000 0.826 373 V CB 0.639 32.356 31.823 -0.176 0.000 1.009 373 V HN 1.790 nan 8.190 nan 0.000 0.431 374 G N 4.007 112.810 108.800 0.006 0.000 2.295 374 G HA2 0.080 4.040 3.960 0.000 0.000 0.287 374 G HA3 0.080 4.040 3.960 0.000 0.000 0.287 374 G C 0.106 174.940 174.900 -0.110 0.000 1.055 374 G CA 0.470 45.551 45.100 -0.031 0.000 0.922 374 G HN 1.569 nan 8.290 nan 0.000 0.503 375 A N -0.478 122.252 122.820 -0.149 0.000 2.498 375 A HA 0.903 5.223 4.320 0.000 0.000 0.298 375 A C 0.673 178.225 177.584 -0.054 0.000 1.075 375 A CA -0.072 51.777 52.037 -0.313 0.000 0.714 375 A CB 0.971 19.342 19.000 -1.050 0.000 1.299 375 A HN 1.146 nan 8.150 nan 0.000 0.407 376 R N 0.535 121.050 120.500 0.025 0.000 2.586 376 R HA 0.409 4.749 4.340 0.000 0.000 0.336 376 R C -1.095 175.410 176.300 0.342 0.000 1.060 376 R CA -0.152 56.085 56.100 0.227 0.000 1.079 376 R CB -0.576 29.803 30.300 0.131 0.000 1.317 376 R HN 0.600 nan 8.270 nan 0.000 0.568 377 F N 2.751 122.767 119.950 0.110 0.000 3.004 377 F HA -0.287 4.240 4.527 0.000 0.000 0.264 377 F C 0.209 175.954 175.800 -0.091 0.000 0.979 377 F CA 1.167 59.159 58.000 -0.014 0.000 0.896 377 F CB -1.847 37.075 39.000 -0.130 0.000 0.813 377 F HN 0.479 nan 8.300 nan 0.000 0.804 378 D N 0.756 121.192 120.400 0.061 0.000 2.361 378 D HA 0.046 4.686 4.640 0.000 0.000 0.239 378 D C 1.081 177.357 176.300 -0.041 0.000 1.200 378 D CA 0.323 54.327 54.000 0.008 0.000 0.915 378 D CB 0.793 41.589 40.800 -0.007 0.000 1.170 378 D HN 0.403 nan 8.370 nan 0.000 0.444 379 D N -0.270 120.103 120.400 -0.044 0.000 2.378 379 D HA -0.164 4.476 4.640 0.000 0.000 0.222 379 D C 1.190 177.458 176.300 -0.054 0.000 0.980 379 D CA 0.498 54.464 54.000 -0.057 0.000 0.907 379 D CB 0.012 40.785 40.800 -0.045 0.000 0.899 379 D HN 0.148 nan 8.370 nan 0.000 0.527 380 R N -0.011 120.460 120.500 -0.049 0.000 2.300 380 R HA 0.212 4.553 4.340 0.000 0.000 0.199 380 R C 1.287 177.557 176.300 -0.051 0.000 0.920 380 R CA 0.116 56.191 56.100 -0.041 0.000 1.046 380 R CB 0.254 30.534 30.300 -0.032 0.000 0.984 380 R HN 0.281 nan 8.270 nan 0.000 0.493 381 V N -0.059 119.808 119.914 -0.077 0.000 3.151 381 V HA -0.067 4.053 4.120 0.000 0.000 0.241 381 V C 2.131 178.121 176.094 -0.174 0.000 1.173 381 V CA 1.728 63.962 62.300 -0.111 0.000 1.154 381 V CB 0.453 32.206 31.823 -0.117 0.000 0.898 381 V HN 0.325 nan 8.190 nan 0.000 0.473 382 T N -1.980 112.420 114.554 -0.256 0.000 3.043 382 T HA 0.321 4.671 4.350 0.000 0.000 0.263 382 T C 1.287 175.930 174.700 -0.095 0.000 1.094 382 T CA 0.981 62.840 62.100 -0.402 0.000 1.127 382 T CB 0.043 68.520 68.868 -0.652 0.000 0.905 382 T HN 1.034 nan 8.240 nan 0.000 0.490 383 G N 2.100 110.868 108.800 -0.053 0.000 2.598 383 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 383 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 383 G C -0.369 174.534 174.900 0.006 0.000 1.302 383 G CA -0.249 44.854 45.100 0.005 0.000 0.903 383 G HN 0.753 nan 8.290 nan 0.000 0.575 384 N N 0.490 119.208 118.700 0.029 0.000 2.429 384 N HA 0.111 4.851 4.740 0.000 0.000 0.271 384 N C 1.596 177.138 175.510 0.054 0.000 1.272 384 N CA 0.320 53.386 53.050 0.027 0.000 0.921 384 N CB 0.677 39.180 38.487 0.026 0.000 1.128 384 N HN 0.667 nan 8.380 nan 0.000 0.481 385 I N 3.795 124.379 120.570 0.024 0.000 2.335 385 I HA -0.266 3.904 4.170 0.000 0.000 0.251 385 I C 2.176 178.353 176.117 0.099 0.000 1.129 385 I CA 1.467 62.794 61.300 0.044 0.000 1.402 385 I CB -0.380 37.610 38.000 -0.017 0.000 1.069 385 I HN 0.717 nan 8.210 nan 0.000 0.424 386 S N -0.702 115.034 115.700 0.060 0.000 2.515 386 S HA -0.093 4.377 4.470 0.000 0.000 0.231 386 S C 1.712 176.350 174.600 0.063 0.000 0.987 386 S CA 0.672 58.904 58.200 0.053 0.000 0.936 386 S CB -0.445 62.772 63.200 0.027 0.000 0.766 386 S HN 0.532 nan 8.310 nan 0.000 0.528 387 K N -0.081 120.369 120.400 0.083 0.000 2.358 387 K HA 0.280 4.600 4.320 0.000 0.000 0.200 387 K C -0.316 176.346 176.600 0.104 0.000 1.030 387 K CA -0.468 55.861 56.287 0.068 0.000 1.097 387 K CB 0.174 32.702 32.500 0.046 0.000 0.862 387 K HN 0.393 nan 8.250 nan 0.000 0.534 388 F N 2.842 122.787 119.950 -0.009 0.000 2.543 388 F HA 0.166 4.693 4.527 0.000 0.000 0.375 388 F C 0.601 176.402 175.800 0.001 0.000 1.075 388 F CA -0.482 57.514 58.000 -0.006 0.000 1.225 388 F CB 0.240 39.243 39.000 0.005 0.000 1.099 388 F HN 0.258 nan 8.300 nan 0.000 0.561 389 A N 6.717 129.096 122.820 -0.734 0.000 2.312 389 A HA -0.188 4.132 4.320 0.000 0.000 0.286 389 A C -1.692 175.737 177.584 -0.258 0.000 1.425 389 A CA 0.482 52.156 52.037 -0.605 0.000 0.748 389 A CB -1.840 16.614 19.000 -0.910 0.000 1.126 389 A HN 0.687 nan 8.150 nan 0.000 0.368 390 P HA -0.175 nan 4.420 nan 0.000 0.217 390 P C 1.212 178.475 177.300 -0.061 0.000 1.150 390 P CA 1.425 64.483 63.100 -0.071 0.000 0.832 390 P CB 0.184 31.860 31.700 -0.040 0.000 0.787 391 E N -0.043 120.119 120.200 -0.063 0.000 2.150 391 E HA -0.055 4.295 4.350 0.000 0.000 0.193 391 E C 2.174 178.736 176.600 -0.064 0.000 0.985 391 E CA 1.135 57.505 56.400 -0.050 0.000 0.814 391 E CB -0.680 28.999 29.700 -0.036 0.000 0.752 391 E HN 0.223 nan 8.360 nan 0.000 0.466 392 A N 1.168 123.937 122.820 -0.085 0.000 1.929 392 A HA -0.129 4.191 4.320 0.000 0.000 0.216 392 A C 2.193 179.747 177.584 -0.050 0.000 1.176 392 A CA 1.233 53.228 52.037 -0.070 0.000 0.628 392 A CB -0.358 18.591 19.000 -0.086 0.000 0.816 392 A HN 0.083 nan 8.150 nan 0.000 0.444 393 R N -0.500 119.967 120.500 -0.055 0.000 2.092 393 R HA -0.098 4.243 4.340 0.000 0.000 0.231 393 R C 2.420 178.705 176.300 -0.025 0.000 1.119 393 R CA 1.496 57.576 56.100 -0.032 0.000 0.970 393 R CB -0.256 30.027 30.300 -0.028 0.000 0.864 393 R HN 0.530 nan 8.270 nan 0.000 0.440 394 R N -0.102 120.381 120.500 -0.029 0.000 2.075 394 R HA -0.069 4.271 4.340 0.000 0.000 0.232 394 R C 2.119 178.405 176.300 -0.024 0.000 1.126 394 R CA 1.372 57.458 56.100 -0.023 0.000 0.963 394 R CB -0.239 30.047 30.300 -0.023 0.000 0.858 394 R HN 0.276 nan 8.270 nan 0.000 0.435 395 A N 0.748 123.549 122.820 -0.032 0.000 1.902 395 A HA -0.133 4.187 4.320 0.000 0.000 0.217 395 A C 2.315 179.885 177.584 -0.023 0.000 1.181 395 A CA 1.746 53.764 52.037 -0.032 0.000 0.623 395 A CB -0.698 18.276 19.000 -0.043 0.000 0.818 395 A HN 0.527 nan 8.150 nan 0.000 0.443 396 A N -0.112 122.697 122.820 -0.019 0.000 1.877 396 A HA 0.168 4.488 4.320 0.000 0.000 0.216 396 A C 2.501 180.078 177.584 -0.011 0.000 1.186 396 A CA 2.039 54.069 52.037 -0.012 0.000 0.620 396 A CB -1.074 17.921 19.000 -0.009 0.000 0.822 396 A HN 1.137 nan 8.150 nan 0.000 0.443 397 A N -0.391 122.422 122.820 -0.011 0.000 2.024 397 A HA -0.154 4.166 4.320 0.000 0.000 0.220 397 A C 1.691 179.270 177.584 -0.009 0.000 1.164 397 A CA 1.640 53.671 52.037 -0.009 0.000 0.643 397 A CB -0.391 18.604 19.000 -0.009 0.000 0.806 397 A HN 0.649 nan 8.150 nan 0.000 0.451 398 E N -1.388 118.805 120.200 -0.012 0.000 2.465 398 E HA 0.315 4.665 4.350 0.000 0.000 0.195 398 E C 0.853 177.447 176.600 -0.011 0.000 1.028 398 E CA 0.109 56.502 56.400 -0.011 0.000 0.899 398 E CB -0.008 29.684 29.700 -0.014 0.000 1.032 398 E HN 0.645 nan 8.360 nan 0.000 0.468 399 G N 3.055 111.849 108.800 -0.010 0.000 2.283 399 G HA2 -0.355 3.605 3.960 0.000 0.000 0.280 399 G HA3 -0.355 3.605 3.960 0.000 0.000 0.280 399 G C 0.637 175.530 174.900 -0.011 0.000 1.029 399 G CA 0.986 46.080 45.100 -0.009 0.000 0.840 399 G HN 0.451 nan 8.290 nan 0.000 0.505 400 R N -1.253 119.238 120.500 -0.016 0.000 2.629 400 R HA 0.569 4.909 4.340 0.000 0.000 0.408 400 R C 0.820 177.104 176.300 -0.025 0.000 1.057 400 R CA 0.369 56.457 56.100 -0.020 0.000 1.119 400 R CB 0.535 30.822 30.300 -0.023 0.000 1.403 400 R HN 1.261 nan 8.270 nan 0.000 0.576 401 G N -0.911 107.877 108.800 -0.021 0.000 2.452 401 G HA2 0.421 4.381 3.960 0.000 0.000 0.224 401 G HA3 0.421 4.381 3.960 0.000 0.000 0.224 401 G C -0.265 174.630 174.900 -0.009 0.000 1.208 401 G CA -0.063 45.025 45.100 -0.019 0.000 0.946 401 G HN 0.567 nan 8.290 nan 0.000 0.481 402 G N -1.017 107.780 108.800 -0.006 0.000 2.348 402 G HA2 0.293 4.253 3.960 0.000 0.000 0.199 402 G HA3 0.293 4.253 3.960 0.000 0.000 0.199 402 G C -1.076 173.846 174.900 0.038 0.000 1.235 402 G CA -0.059 45.044 45.100 0.006 0.000 1.264 402 G HN 1.361 nan 8.290 nan 0.000 0.543 403 I N 1.221 121.827 120.570 0.060 0.000 2.533 403 I HA 0.553 4.723 4.170 0.000 0.000 0.290 403 I C -0.359 175.832 176.117 0.125 0.000 1.056 403 I CA -0.700 60.673 61.300 0.123 0.000 1.057 403 I CB 1.964 40.054 38.000 0.150 0.000 1.240 403 I HN 0.384 nan 8.210 nan 0.000 0.423 404 I N 5.030 125.704 120.570 0.174 0.000 2.441 404 I HA 0.355 4.525 4.170 0.000 0.000 0.295 404 I C -0.434 175.853 176.117 0.284 0.000 0.994 404 I CA -0.505 60.885 61.300 0.150 0.000 1.144 404 I CB 1.644 39.734 38.000 0.150 0.000 1.314 404 I HN 0.580 nan 8.210 nan 0.000 0.445 405 H N 6.265 125.361 119.070 0.043 0.000 2.906 405 H HA 0.362 4.918 4.556 0.000 0.000 0.324 405 H C -1.472 173.841 175.328 -0.025 0.000 0.973 405 H CA -0.771 55.356 56.048 0.132 0.000 1.321 405 H CB 1.102 30.961 29.762 0.161 0.000 1.535 405 H HN 0.386 nan 8.280 nan 0.000 0.518 406 F N 3.843 123.846 119.950 0.088 0.000 2.377 406 F HA 0.149 4.676 4.527 0.000 0.000 0.360 406 F C 0.318 175.998 175.800 -0.201 0.000 1.147 406 F CA -0.375 57.587 58.000 -0.062 0.000 1.170 406 F CB 0.642 39.631 39.000 -0.019 0.000 1.339 406 F HN 0.542 nan 8.300 nan 0.000 0.552 407 E N 1.924 121.968 120.200 -0.259 0.000 2.248 407 E HA 0.353 4.703 4.350 0.000 0.000 0.267 407 E C -0.222 176.303 176.600 -0.126 0.000 0.877 407 E CA -0.502 55.722 56.400 -0.293 0.000 0.759 407 E CB 2.039 31.359 29.700 -0.633 0.000 1.182 407 E HN 0.255 nan 8.360 nan 0.000 0.418 408 V N 2.956 122.833 119.914 -0.062 0.000 3.052 408 V HA 0.178 4.298 4.120 0.000 0.000 0.254 408 V C 0.352 176.428 176.094 -0.030 0.000 1.100 408 V CA 1.347 63.631 62.300 -0.027 0.000 1.112 408 V CB 0.304 32.124 31.823 -0.005 0.000 0.738 408 V HN 0.560 nan 8.190 nan 0.000 0.469 409 S N -0.356 115.320 115.700 -0.040 0.000 2.456 409 S HA 0.460 4.930 4.470 0.000 0.000 0.316 409 S C -1.578 173.008 174.600 -0.023 0.000 1.089 409 S CA -1.254 56.930 58.200 -0.028 0.000 1.101 409 S CB 1.658 64.841 63.200 -0.029 0.000 0.995 409 S HN 0.197 nan 8.310 nan 0.000 0.468 410 P HA -0.105 nan 4.420 nan 0.000 0.218 410 P C 0.707 178.010 177.300 0.004 0.000 1.146 410 P CA 1.214 64.312 63.100 -0.004 0.000 0.813 410 P CB 0.120 31.820 31.700 -0.000 0.000 0.778 411 K N -1.131 119.272 120.400 0.005 0.000 2.209 411 K HA -0.057 4.263 4.320 0.000 0.000 0.204 411 K C 1.017 177.631 176.600 0.023 0.000 1.048 411 K CA 0.982 57.276 56.287 0.013 0.000 0.940 411 K CB -0.396 32.109 32.500 0.009 0.000 0.729 411 K HN 0.133 nan 8.250 nan 0.000 0.451 412 N N 0.538 119.258 118.700 0.033 0.000 2.235 412 N HA 0.151 4.891 4.740 0.000 0.000 0.209 412 N C -0.349 175.244 175.510 0.137 0.000 1.122 412 N CA 0.196 53.297 53.050 0.084 0.000 0.845 412 N CB 0.461 39.013 38.487 0.108 0.000 1.004 412 N HN 0.116 nan 8.380 nan 0.000 0.499 413 I N 1.298 121.911 120.570 0.072 0.000 2.325 413 I HA 0.088 4.258 4.170 0.000 0.000 0.291 413 I C 0.072 176.222 176.117 0.056 0.000 1.019 413 I CA -0.380 60.972 61.300 0.087 0.000 1.302 413 I CB 0.527 38.541 38.000 0.023 0.000 1.401 413 I HN 0.023 nan 8.210 nan 0.000 0.485 414 N N 4.508 123.234 118.700 0.043 0.000 2.735 414 N HA -0.218 4.523 4.740 0.000 0.000 0.248 414 N C 0.925 176.412 175.510 -0.037 0.000 1.083 414 N CA 0.925 53.958 53.050 -0.028 0.000 0.703 414 N CB -0.702 37.779 38.487 -0.011 0.000 1.005 414 N HN 0.683 nan 8.380 nan 0.000 0.550 415 K N 0.029 120.409 120.400 -0.034 0.000 2.128 415 K HA 0.103 4.423 4.320 0.000 0.000 0.202 415 K C 1.546 178.112 176.600 -0.056 0.000 1.050 415 K CA 1.025 57.298 56.287 -0.025 0.000 0.966 415 K CB 0.391 32.896 32.500 0.009 0.000 0.759 415 K HN 0.066 nan 8.250 nan 0.000 0.454 416 V N 0.873 120.721 119.914 -0.109 0.000 2.672 416 V HA 0.045 4.165 4.120 0.000 0.000 0.242 416 V C 0.707 176.696 176.094 -0.176 0.000 1.059 416 V CA 0.535 62.756 62.300 -0.131 0.000 1.081 416 V CB 1.165 32.915 31.823 -0.121 0.000 0.752 416 V HN 0.250 nan 8.190 nan 0.000 0.472 417 V N -1.788 117.951 119.914 -0.292 0.000 3.007 417 V HA 0.556 4.676 4.120 0.000 0.000 0.311 417 V C -0.615 175.362 176.094 -0.196 0.000 1.120 417 V CA -0.956 61.211 62.300 -0.223 0.000 0.980 417 V CB 1.821 33.501 31.823 -0.238 0.000 1.033 417 V HN 0.335 nan 8.190 nan 0.000 0.429 418 Q N 2.033 121.772 119.800 -0.101 0.000 2.304 418 Q HA 0.507 4.847 4.340 0.000 0.000 0.260 418 Q C -0.040 175.919 176.000 -0.068 0.000 0.965 418 Q CA 0.077 55.839 55.803 -0.068 0.000 0.898 418 Q CB 1.114 29.832 28.738 -0.034 0.000 1.196 418 Q HN 1.120 nan 8.270 nan 0.000 0.402 419 T N 1.059 115.583 114.554 -0.050 0.000 2.918 419 T HA 0.269 4.619 4.350 0.000 0.000 0.286 419 T C 0.444 175.146 174.700 0.003 0.000 1.026 419 T CA -0.799 61.290 62.100 -0.017 0.000 1.031 419 T CB 1.715 70.591 68.868 0.013 0.000 1.046 419 T HN 0.572 nan 8.240 nan 0.000 0.479 420 Q N 0.863 120.670 119.800 0.012 0.000 2.137 420 Q HA 0.403 4.743 4.340 0.000 0.000 0.198 420 Q C 0.081 176.078 176.000 -0.006 0.000 0.960 420 Q CA 1.204 57.010 55.803 0.004 0.000 0.847 420 Q CB -0.052 28.689 28.738 0.005 0.000 0.915 420 Q HN 0.764 nan 8.270 nan 0.000 0.448 421 I N -0.110 120.455 120.570 -0.010 0.000 2.548 421 I HA 0.539 4.710 4.170 0.000 0.000 0.287 421 I C -1.337 174.736 176.117 -0.073 0.000 1.103 421 I CA -1.138 60.130 61.300 -0.055 0.000 1.049 421 I CB 2.187 40.135 38.000 -0.088 0.000 1.232 421 I HN -0.175 nan 8.210 nan 0.000 0.429 422 A N 6.327 129.092 122.820 -0.092 0.000 2.273 422 A HA 0.726 5.046 4.320 0.000 0.000 0.315 422 A C -0.583 176.856 177.584 -0.242 0.000 1.256 422 A CA -0.492 51.476 52.037 -0.116 0.000 0.851 422 A CB 0.993 19.972 19.000 -0.034 0.000 1.172 422 A HN 0.448 nan 8.150 nan 0.000 0.508 423 V N 4.095 123.766 119.914 -0.405 0.000 2.304 423 V HA 0.155 4.275 4.120 0.000 0.000 0.269 423 V C 0.288 176.210 176.094 -0.287 0.000 1.036 423 V CA -0.342 61.675 62.300 -0.471 0.000 0.840 423 V CB 0.281 31.550 31.823 -0.923 0.000 1.036 423 V HN 0.970 nan 8.190 nan 0.000 0.466 424 E N 3.145 123.246 120.200 -0.165 0.000 2.383 424 E HA 0.543 4.893 4.350 0.000 0.000 0.264 424 E C 0.806 177.387 176.600 -0.032 0.000 1.050 424 E CA 0.832 57.190 56.400 -0.070 0.000 0.896 424 E CB 1.079 30.788 29.700 0.014 0.000 0.982 424 E HN 0.982 nan 8.360 nan 0.000 0.424 425 G N 2.638 111.433 108.800 -0.009 0.000 2.409 425 G HA2 -0.206 3.754 3.960 0.000 0.000 0.421 425 G HA3 -0.206 3.754 3.960 0.000 0.000 0.421 425 G C -1.108 173.817 174.900 0.041 0.000 1.259 425 G CA -0.583 44.529 45.100 0.020 0.000 1.011 425 G HN 0.669 nan 8.290 nan 0.000 0.497 426 D N 0.712 121.146 120.400 0.057 0.000 2.417 426 D HA 0.582 5.222 4.640 0.000 0.000 0.250 426 D C 1.458 177.808 176.300 0.083 0.000 1.166 426 D CA 1.240 55.284 54.000 0.072 0.000 0.881 426 D CB 1.123 41.981 40.800 0.097 0.000 1.164 426 D HN 1.038 nan 8.370 nan 0.000 0.467 427 A N 3.236 126.104 122.820 0.080 0.000 1.865 427 A HA -0.194 4.126 4.320 0.000 0.000 0.217 427 A C 2.149 179.708 177.584 -0.041 0.000 1.191 427 A CA 1.989 54.072 52.037 0.076 0.000 0.623 427 A CB -0.942 18.068 19.000 0.016 0.000 0.826 427 A HN 0.689 nan 8.150 nan 0.000 0.444 428 T N -0.040 114.463 114.554 -0.085 0.000 2.684 428 T HA -0.155 4.195 4.350 0.000 0.000 0.267 428 T C 2.001 176.583 174.700 -0.197 0.000 1.036 428 T CA 2.063 64.040 62.100 -0.206 0.000 1.148 428 T CB -0.745 67.885 68.868 -0.398 0.000 0.863 428 T HN 0.571 nan 8.240 nan 0.000 0.436 429 T N 2.514 116.987 114.554 -0.134 0.000 2.720 429 T HA -0.108 4.242 4.350 0.000 0.000 0.268 429 T C 1.954 176.651 174.700 -0.006 0.000 1.037 429 T CA 1.067 63.130 62.100 -0.060 0.000 1.144 429 T CB -0.331 68.548 68.868 0.018 0.000 0.864 429 T HN 0.333 nan 8.240 nan 0.000 0.444 430 N N 0.959 119.690 118.700 0.052 0.000 2.354 430 N HA 0.120 4.860 4.740 0.000 0.000 0.179 430 N C 1.783 177.367 175.510 0.124 0.000 1.021 430 N CA 0.481 53.612 53.050 0.136 0.000 0.887 430 N CB -0.278 38.382 38.487 0.288 0.000 0.974 430 N HN 0.363 nan 8.380 nan 0.000 0.437 431 L N 0.052 121.259 121.223 -0.026 0.000 2.109 431 L HA 0.010 4.350 4.340 0.000 0.000 0.207 431 L C 2.363 179.200 176.870 -0.055 0.000 1.086 431 L CA 0.987 55.755 54.840 -0.119 0.000 0.760 431 L CB -0.657 41.259 42.059 -0.238 0.000 0.910 431 L HN 0.168 nan 8.230 nan 0.000 0.437 432 G N 0.095 108.863 108.800 -0.053 0.000 2.402 432 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 432 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 432 G C 1.689 176.585 174.900 -0.007 0.000 1.162 432 G CA 0.405 45.484 45.100 -0.036 0.000 0.777 432 G HN 0.281 nan 8.290 nan 0.000 0.539 433 K N -0.603 119.802 120.400 0.008 0.000 2.155 433 K HA 0.145 4.465 4.320 0.000 0.000 0.203 433 K C 2.355 178.968 176.600 0.020 0.000 1.052 433 K CA 0.909 57.206 56.287 0.017 0.000 0.948 433 K CB -0.143 32.370 32.500 0.021 0.000 0.728 433 K HN 0.345 nan 8.250 nan 0.000 0.448 434 M N 0.133 119.754 119.600 0.034 0.000 2.388 434 M HA -0.054 4.426 4.480 0.000 0.000 0.265 434 M C 1.984 178.293 176.300 0.013 0.000 1.088 434 M CA 0.763 56.084 55.300 0.035 0.000 1.134 434 M CB 0.120 32.775 32.600 0.092 0.000 1.384 434 M HN 0.047 nan 8.290 nan 0.000 0.447 435 M N 0.839 120.444 119.600 0.008 0.000 2.113 435 M HA -0.255 4.225 4.480 0.000 0.000 0.255 435 M C 2.260 178.570 176.300 0.018 0.000 1.073 435 M CA 2.691 57.995 55.300 0.007 0.000 1.091 435 M CB -0.589 32.014 32.600 0.005 0.000 1.309 435 M HN 0.522 nan 8.290 nan 0.000 0.407 436 S N -1.199 114.515 115.700 0.022 0.000 2.442 436 S HA -0.151 4.319 4.470 0.000 0.000 0.236 436 S C 1.717 176.344 174.600 0.045 0.000 1.007 436 S CA 1.330 59.553 58.200 0.037 0.000 0.965 436 S CB -0.672 62.549 63.200 0.034 0.000 0.773 436 S HN 0.630 nan 8.310 nan 0.000 0.504 437 K N 0.375 120.781 120.400 0.009 0.000 2.444 437 K HA 0.269 4.589 4.320 0.000 0.000 0.193 437 K C -0.234 176.280 176.600 -0.144 0.000 1.024 437 K CA 0.004 56.271 56.287 -0.034 0.000 1.077 437 K CB 0.109 32.577 32.500 -0.054 0.000 0.833 437 K HN 0.364 nan 8.250 nan 0.000 0.517 438 I N 1.846 122.372 120.570 -0.073 0.000 2.371 438 I HA 0.127 4.297 4.170 0.000 0.000 0.290 438 I C 0.148 176.296 176.117 0.052 0.000 1.028 438 I CA -0.497 60.740 61.300 -0.104 0.000 1.345 438 I CB -0.053 37.933 38.000 -0.024 0.000 1.407 438 I HN -0.047 nan 8.210 nan 0.000 0.501 439 F N 6.910 126.872 119.950 0.020 0.000 2.504 439 F HA 0.199 4.726 4.527 0.000 0.000 0.369 439 F C -1.574 174.237 175.800 0.017 0.000 1.082 439 F CA -1.975 56.034 58.000 0.015 0.000 1.216 439 F CB 0.355 39.361 39.000 0.010 0.000 1.108 439 F HN 0.237 nan 8.300 nan 0.000 0.554 440 P HA 0.023 nan 4.420 nan 0.000 0.268 440 P C -0.810 176.551 177.300 0.102 0.000 1.204 440 P CA 0.006 63.177 63.100 0.119 0.000 0.768 440 P CB 0.798 32.547 31.700 0.082 0.000 0.842 441 V N 4.613 124.574 119.914 0.079 0.000 2.398 441 V HA 0.163 4.283 4.120 0.000 0.000 0.286 441 V C 1.640 177.745 176.094 0.019 0.000 1.026 441 V CA -0.276 62.054 62.300 0.051 0.000 0.868 441 V CB 1.457 33.309 31.823 0.048 0.000 0.982 441 V HN 0.592 nan 8.190 nan 0.000 0.443 442 K N 3.129 123.528 120.400 -0.000 0.000 2.001 442 K HA -0.085 4.235 4.320 0.000 0.000 0.208 442 K C 0.268 176.841 176.600 -0.045 0.000 1.048 442 K CA 1.829 58.107 56.287 -0.015 0.000 0.932 442 K CB 0.380 32.869 32.500 -0.018 0.000 0.715 442 K HN 0.914 nan 8.250 nan 0.000 0.437 443 E N -1.768 118.382 120.200 -0.084 0.000 2.403 443 E HA 0.268 4.618 4.350 0.000 0.000 0.280 443 E C -1.314 175.149 176.600 -0.228 0.000 1.101 443 E CA -0.848 55.443 56.400 -0.181 0.000 0.856 443 E CB 0.716 30.331 29.700 -0.143 0.000 1.303 443 E HN 0.091 nan 8.360 nan 0.000 0.441 444 R N 0.993 121.226 120.500 -0.444 0.000 2.644 444 R HA 0.382 4.722 4.340 0.000 0.000 0.271 444 R C -0.147 175.976 176.300 -0.296 0.000 1.687 444 R CA -0.218 55.691 56.100 -0.319 0.000 1.655 444 R CB 0.904 31.042 30.300 -0.269 0.000 1.285 444 R HN 0.562 nan 8.270 nan 0.000 0.643 445 S N 1.205 116.820 115.700 -0.142 0.000 2.353 445 S HA -0.187 4.283 4.470 0.000 0.000 0.222 445 S C 1.518 176.153 174.600 0.058 0.000 1.035 445 S CA 1.323 59.500 58.200 -0.039 0.000 1.025 445 S CB 0.121 63.306 63.200 -0.025 0.000 0.902 445 S HN 0.525 nan 8.310 nan 0.000 0.440 446 E N 0.109 120.353 120.200 0.074 0.000 2.038 446 E HA -0.196 4.154 4.350 0.000 0.000 0.195 446 E C 1.885 178.620 176.600 0.225 0.000 1.000 446 E CA 1.068 57.534 56.400 0.110 0.000 0.803 446 E CB -0.285 29.470 29.700 0.092 0.000 0.750 446 E HN 0.676 nan 8.360 nan 0.000 0.448 447 W N 0.561 121.888 121.300 0.045 0.000 2.333 447 W HA -0.265 4.395 4.660 0.000 0.000 0.316 447 W C 1.804 178.472 176.519 0.248 0.000 1.215 447 W CA 0.781 58.205 57.345 0.132 0.000 1.278 447 W CB -0.136 29.439 29.460 0.191 0.000 1.154 447 W HN 0.049 nan 8.180 nan 0.000 0.486 448 F N 0.750 120.702 119.950 0.003 0.000 2.186 448 F HA -0.113 4.414 4.527 0.000 0.000 0.299 448 F C 2.645 178.352 175.800 -0.155 0.000 1.090 448 F CA 1.396 59.309 58.000 -0.145 0.000 1.307 448 F CB -1.658 37.316 39.000 -0.043 0.000 1.019 448 F HN -0.085 nan 8.300 nan 0.000 0.489 449 A N -0.380 122.500 122.820 0.100 0.000 1.877 449 A HA -0.256 4.064 4.320 0.000 0.000 0.216 449 A C 2.161 179.653 177.584 -0.152 0.000 1.186 449 A CA 1.798 53.826 52.037 -0.014 0.000 0.620 449 A CB -0.925 18.075 19.000 -0.001 0.000 0.822 449 A HN 0.338 nan 8.150 nan 0.000 0.443 450 Q N 0.312 119.986 119.800 -0.209 0.000 2.061 450 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 450 Q C 1.730 177.257 176.000 -0.788 0.000 0.984 450 Q CA 2.206 57.702 55.803 -0.512 0.000 0.846 450 Q CB -0.574 27.890 28.738 -0.457 0.000 0.902 450 Q HN 0.674 nan 8.270 nan 0.000 0.421 451 I N 0.548 120.766 120.570 -0.586 0.000 2.264 451 I HA -0.287 3.883 4.170 0.000 0.000 0.248 451 I C 1.805 177.820 176.117 -0.170 0.000 1.111 451 I CA 1.117 62.206 61.300 -0.351 0.000 1.382 451 I CB -0.434 37.282 38.000 -0.474 0.000 1.060 451 I HN 0.296 nan 8.210 nan 0.000 0.418 452 N N 1.196 119.784 118.700 -0.186 0.000 2.244 452 N HA -0.163 4.578 4.740 0.000 0.000 0.183 452 N C 2.062 177.524 175.510 -0.079 0.000 1.016 452 N CA 1.730 54.718 53.050 -0.102 0.000 0.866 452 N CB -0.266 38.176 38.487 -0.075 0.000 0.980 452 N HN 0.410 nan 8.380 nan 0.000 0.430 453 K N 0.822 121.128 120.400 -0.157 0.000 2.057 453 K HA -0.100 4.220 4.320 0.000 0.000 0.207 453 K C 1.866 178.467 176.600 0.002 0.000 1.049 453 K CA 1.101 57.311 56.287 -0.128 0.000 0.931 453 K CB -1.276 31.087 32.500 -0.228 0.000 0.714 453 K HN 0.212 nan 8.250 nan 0.000 0.440 454 W N 1.331 122.637 121.300 0.010 0.000 2.358 454 W HA -0.042 4.618 4.660 0.000 0.000 0.303 454 W C 2.118 178.666 176.519 0.047 0.000 1.208 454 W CA 1.184 58.588 57.345 0.098 0.000 1.274 454 W CB -0.487 29.040 29.460 0.112 0.000 1.138 454 W HN 0.371 nan 8.180 nan 0.000 0.515 455 K N 0.308 120.825 120.400 0.196 0.000 2.152 455 K HA -0.182 4.138 4.320 0.000 0.000 0.206 455 K C 2.403 179.022 176.600 0.031 0.000 1.048 455 K CA 2.300 58.630 56.287 0.072 0.000 0.933 455 K CB -0.301 32.203 32.500 0.008 0.000 0.721 455 K HN 0.133 nan 8.250 nan 0.000 0.447 456 K N 1.033 121.441 120.400 0.013 0.000 2.116 456 K HA -0.057 4.263 4.320 0.000 0.000 0.203 456 K C 2.154 178.719 176.600 -0.057 0.000 1.052 456 K CA 1.587 57.862 56.287 -0.020 0.000 0.952 456 K CB -1.098 31.385 32.500 -0.029 0.000 0.729 456 K HN 0.420 nan 8.250 nan 0.000 0.446 457 E N -0.540 119.595 120.200 -0.110 0.000 2.158 457 E HA 0.052 4.402 4.350 0.000 0.000 0.191 457 E C 0.643 176.945 176.600 -0.496 0.000 0.982 457 E CA 0.895 57.085 56.400 -0.350 0.000 0.823 457 E CB -0.339 29.044 29.700 -0.529 0.000 0.766 457 E HN 0.821 nan 8.360 nan 0.000 0.468 458 Y N 0.818 121.152 120.300 0.056 0.000 2.553 458 Y HA 0.308 4.858 4.550 0.000 0.000 0.369 458 Y C -2.223 173.623 175.900 -0.090 0.000 0.964 458 Y CA -2.508 55.585 58.100 -0.012 0.000 1.156 458 Y CB 1.100 39.503 38.460 -0.096 0.000 1.218 458 Y HN 0.173 nan 8.280 nan 0.000 0.630 459 P HA 0.026 nan 4.420 nan 0.000 0.276 459 P C -0.531 176.810 177.300 0.068 0.000 1.261 459 P CA -0.341 62.764 63.100 0.008 0.000 0.800 459 P CB 1.105 32.837 31.700 0.052 0.000 1.066 460 Y N -0.068 120.301 120.300 0.114 0.000 2.758 460 Y HA 0.203 4.753 4.550 0.000 0.000 0.351 460 Y C 1.426 177.475 175.900 0.248 0.000 1.214 460 Y CA -0.785 57.404 58.100 0.149 0.000 1.983 460 Y CB -0.795 37.694 38.460 0.049 0.000 2.062 460 Y HN 0.325 nan 8.280 nan 0.000 0.416 461 A N 2.534 125.536 122.820 0.303 0.000 2.407 461 A HA 0.465 4.786 4.320 0.000 0.000 0.248 461 A C -0.660 176.780 177.584 -0.241 0.000 1.082 461 A CA -0.026 52.077 52.037 0.109 0.000 0.785 461 A CB 0.079 19.224 19.000 0.241 0.000 1.020 461 A HN 0.711 nan 8.150 nan 0.000 0.489 462 Y N -1.400 118.392 120.300 -0.846 0.000 2.713 462 Y HA 0.596 5.146 4.550 0.000 0.000 0.335 462 Y C -0.811 174.497 175.900 -0.988 0.000 1.222 462 Y CA -1.629 55.662 58.100 -1.348 0.000 1.061 462 Y CB 0.959 39.077 38.460 -0.570 0.000 1.314 462 Y HN 0.549 nan 8.280 nan 0.000 0.453 463 M N 3.004 122.325 119.600 -0.466 0.000 2.341 463 M HA 0.266 4.746 4.480 0.000 0.000 0.336 463 M C -0.706 175.540 176.300 -0.090 0.000 1.489 463 M CA 0.427 55.707 55.300 -0.034 0.000 1.278 463 M CB -0.358 32.373 32.600 0.218 0.000 1.657 463 M HN 0.700 nan 8.290 nan 0.000 0.455 464 E N 2.074 122.101 120.200 -0.288 0.000 2.369 464 E HA 0.127 4.477 4.350 0.000 0.000 0.255 464 E C -0.342 176.223 176.600 -0.058 0.000 1.172 464 E CA -0.514 55.755 56.400 -0.218 0.000 0.932 464 E CB 0.531 30.037 29.700 -0.323 0.000 1.040 464 E HN 0.534 nan 8.360 nan 0.000 0.454 465 E N 0.640 120.820 120.200 -0.032 0.000 2.437 465 E HA 0.029 4.379 4.350 0.000 0.000 0.263 465 E C -0.489 176.098 176.600 -0.021 0.000 1.030 465 E CA 0.538 56.926 56.400 -0.020 0.000 0.934 465 E CB 0.526 30.212 29.700 -0.024 0.000 0.943 465 E HN 0.432 nan 8.360 nan 0.000 0.444 466 T N -0.430 114.119 114.554 -0.009 0.000 2.896 466 T HA 0.544 4.894 4.350 0.000 0.000 0.297 466 T C -2.733 171.964 174.700 -0.004 0.000 1.108 466 T CA -2.611 59.485 62.100 -0.005 0.000 1.004 466 T CB 1.533 70.404 68.868 0.006 0.000 1.159 466 T HN 0.044 nan 8.240 nan 0.000 0.499 467 P HA 0.200 nan 4.420 nan 0.000 0.259 467 P C 1.252 178.552 177.300 -0.001 0.000 1.163 467 P CA 1.812 64.910 63.100 -0.004 0.000 0.760 467 P CB -0.162 31.536 31.700 -0.004 0.000 0.762 468 G N 2.207 111.005 108.800 -0.003 0.000 2.212 468 G HA2 -0.290 3.670 3.960 0.000 0.000 0.266 468 G HA3 -0.290 3.670 3.960 0.000 0.000 0.266 468 G C 0.543 175.444 174.900 0.002 0.000 0.978 468 G CA 0.473 45.572 45.100 -0.001 0.000 0.632 468 G HN 0.822 nan 8.290 nan 0.000 0.537 469 S N -0.143 115.560 115.700 0.003 0.000 2.608 469 S HA 0.607 5.077 4.470 0.000 0.000 0.261 469 S C 0.506 175.107 174.600 0.002 0.000 1.314 469 S CA 0.191 58.396 58.200 0.008 0.000 0.992 469 S CB 1.317 64.524 63.200 0.012 0.000 0.935 469 S HN 0.505 nan 8.310 nan 0.000 0.564 470 K N 0.281 120.684 120.400 0.005 0.000 2.138 470 K HA 0.369 4.689 4.320 0.000 0.000 0.251 470 K C -0.084 176.504 176.600 -0.019 0.000 1.015 470 K CA -0.453 55.832 56.287 -0.004 0.000 0.917 470 K CB 0.350 32.853 32.500 0.006 0.000 1.021 470 K HN 0.565 nan 8.250 nan 0.000 0.485 471 I N 2.499 123.049 120.570 -0.033 0.000 2.752 471 I HA -0.060 4.110 4.170 0.000 0.000 0.287 471 I C 0.502 176.569 176.117 -0.084 0.000 1.188 471 I CA 0.201 61.467 61.300 -0.056 0.000 1.427 471 I CB 0.280 38.241 38.000 -0.064 0.000 1.365 471 I HN 0.209 nan 8.210 nan 0.000 0.585 472 K N 8.440 128.775 120.400 -0.110 0.000 2.201 472 K HA 0.243 4.563 4.320 0.000 0.000 0.278 472 K C -1.581 174.814 176.600 -0.341 0.000 1.027 472 K CA -2.012 54.158 56.287 -0.195 0.000 0.909 472 K CB 0.974 33.411 32.500 -0.105 0.000 1.062 472 K HN 0.291 nan 8.250 nan 0.000 0.465 473 P HA -0.199 nan 4.420 nan 0.000 0.215 473 P C 0.628 177.521 177.300 -0.679 0.000 1.153 473 P CA 1.527 64.308 63.100 -0.531 0.000 0.853 473 P CB 0.472 31.774 31.700 -0.664 0.000 0.788 474 Q N -0.418 118.688 119.800 -1.156 0.000 2.124 474 Q HA -0.096 4.245 4.340 0.000 0.000 0.202 474 Q C 2.352 177.815 176.000 -0.895 0.000 0.977 474 Q CA 2.199 57.203 55.803 -1.333 0.000 0.850 474 Q CB -1.548 25.806 28.738 -2.306 0.000 0.901 474 Q HN 0.252 nan 8.270 nan 0.000 0.429 475 T N 0.044 114.236 114.554 -0.604 0.000 2.788 475 T HA -0.103 4.247 4.350 0.000 0.000 0.268 475 T C 1.906 176.481 174.700 -0.208 0.000 1.044 475 T CA 1.200 63.147 62.100 -0.255 0.000 1.139 475 T CB -0.233 68.576 68.868 -0.099 0.000 0.867 475 T HN 0.057 nan 8.240 nan 0.000 0.454 476 V N 1.940 121.727 119.914 -0.212 0.000 2.343 476 V HA -0.146 3.974 4.120 0.000 0.000 0.247 476 V C 2.483 178.529 176.094 -0.080 0.000 1.051 476 V CA 1.205 63.429 62.300 -0.127 0.000 1.036 476 V CB -0.598 31.158 31.823 -0.110 0.000 0.654 476 V HN 0.433 nan 8.190 nan 0.000 0.451 477 I N -0.001 120.520 120.570 -0.082 0.000 2.179 477 I HA -0.216 3.954 4.170 0.000 0.000 0.242 477 I C 2.447 178.524 176.117 -0.067 0.000 1.088 477 I CA 1.672 62.994 61.300 0.038 0.000 1.357 477 I CB -1.285 36.783 38.000 0.114 0.000 1.051 477 I HN 0.367 nan 8.210 nan 0.000 0.409 478 K N 0.987 121.302 120.400 -0.142 0.000 2.032 478 K HA -0.205 4.115 4.320 0.000 0.000 0.209 478 K C 2.153 178.635 176.600 -0.197 0.000 1.048 478 K CA 1.587 57.776 56.287 -0.163 0.000 0.927 478 K CB -0.137 32.285 32.500 -0.129 0.000 0.712 478 K HN 0.328 nan 8.250 nan 0.000 0.441 479 K N 0.548 120.859 120.400 -0.148 0.000 2.057 479 K HA -0.131 4.189 4.320 0.000 0.000 0.206 479 K C 2.100 178.615 176.600 -0.142 0.000 1.050 479 K CA 0.855 57.064 56.287 -0.129 0.000 0.935 479 K CB -0.185 32.263 32.500 -0.087 0.000 0.715 479 K HN 0.002 nan 8.250 nan 0.000 0.439 480 L N 1.120 122.279 121.223 -0.106 0.000 2.083 480 L HA -0.145 4.195 4.340 0.000 0.000 0.209 480 L C 2.340 179.021 176.870 -0.315 0.000 1.083 480 L CA 1.660 56.473 54.840 -0.046 0.000 0.752 480 L CB -0.778 41.377 42.059 0.159 0.000 0.899 480 L HN 0.075 nan 8.230 nan 0.000 0.433 481 S N -0.650 114.623 115.700 -0.711 0.000 2.359 481 S HA -0.306 4.164 4.470 0.000 0.000 0.224 481 S C 2.231 176.333 174.600 -0.830 0.000 1.035 481 S CA 1.964 59.241 58.200 -1.539 0.000 1.018 481 S CB -0.359 61.970 63.200 -1.451 0.000 0.876 481 S HN 0.579 nan 8.310 nan 0.000 0.448 482 K N 0.177 120.286 120.400 -0.486 0.000 2.025 482 K HA -0.052 4.268 4.320 0.000 0.000 0.207 482 K C 2.021 178.496 176.600 -0.209 0.000 1.049 482 K CA 1.652 57.758 56.287 -0.302 0.000 0.933 482 K CB -0.404 31.971 32.500 -0.209 0.000 0.714 482 K HN 0.313 nan 8.250 nan 0.000 0.438 483 V N 1.549 121.366 119.914 -0.161 0.000 2.287 483 V HA -0.288 3.832 4.120 0.000 0.000 0.248 483 V C 2.508 178.565 176.094 -0.062 0.000 1.053 483 V CA 2.130 64.382 62.300 -0.080 0.000 1.027 483 V CB -0.831 30.975 31.823 -0.027 0.000 0.646 483 V HN 0.539 nan 8.190 nan 0.000 0.447 484 A N 0.549 123.329 122.820 -0.067 0.000 1.902 484 A HA -0.296 4.024 4.320 0.000 0.000 0.217 484 A C 2.070 179.645 177.584 -0.016 0.000 1.181 484 A CA 2.340 54.386 52.037 0.014 0.000 0.623 484 A CB -0.915 18.191 19.000 0.178 0.000 0.818 484 A HN 0.688 nan 8.150 nan 0.000 0.443 485 N N 0.138 118.771 118.700 -0.111 0.000 2.120 485 N HA -0.168 4.572 4.740 0.000 0.000 0.188 485 N C 0.937 176.412 175.510 -0.058 0.000 1.024 485 N CA 1.819 54.814 53.050 -0.091 0.000 0.852 485 N CB -0.322 38.056 38.487 -0.182 0.000 1.003 485 N HN 0.350 nan 8.380 nan 0.000 0.424 486 D N -0.979 119.379 120.400 -0.070 0.000 2.309 486 D HA -0.103 4.537 4.640 0.000 0.000 0.212 486 D C 1.698 177.985 176.300 -0.022 0.000 0.968 486 D CA 1.374 55.347 54.000 -0.046 0.000 0.882 486 D CB -0.613 40.155 40.800 -0.052 0.000 0.918 486 D HN 0.605 nan 8.370 nan 0.000 0.503 487 T N -3.116 111.430 114.554 -0.012 0.000 2.962 487 T HA 0.067 4.417 4.350 0.000 0.000 0.270 487 T C 1.872 176.578 174.700 0.011 0.000 1.088 487 T CA 1.262 63.363 62.100 0.001 0.000 1.127 487 T CB -0.092 68.781 68.868 0.008 0.000 0.883 487 T HN 0.214 nan 8.240 nan 0.000 0.493 488 G N 1.559 110.367 108.800 0.014 0.000 2.179 488 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 488 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 488 G C 0.302 175.231 174.900 0.048 0.000 0.977 488 G CA 0.161 45.276 45.100 0.025 0.000 0.641 488 G HN 0.729 nan 8.290 nan 0.000 0.533 489 R N -0.052 120.480 120.500 0.053 0.000 2.583 489 R HA 0.453 4.794 4.340 0.000 0.000 0.268 489 R C 0.324 176.696 176.300 0.119 0.000 1.101 489 R CA -0.663 55.486 56.100 0.081 0.000 1.180 489 R CB 0.449 30.788 30.300 0.065 0.000 1.128 489 R HN 0.379 nan 8.270 nan 0.000 0.568 490 H N 1.134 120.239 119.070 0.058 0.000 2.742 490 H HA 0.169 4.725 4.556 0.000 0.000 0.302 490 H C -1.073 174.311 175.328 0.092 0.000 1.069 490 H CA -0.220 55.874 56.048 0.077 0.000 1.446 490 H CB 0.657 30.459 29.762 0.067 0.000 1.462 490 H HN 0.098 nan 8.280 nan 0.000 0.499 491 V N 8.156 127.913 119.914 -0.261 0.000 2.398 491 V HA 0.291 4.411 4.120 0.000 0.000 0.286 491 V C 0.399 176.388 176.094 -0.175 0.000 1.026 491 V CA -0.651 61.585 62.300 -0.107 0.000 0.868 491 V CB 1.493 33.377 31.823 0.102 0.000 0.982 491 V HN 0.628 nan 8.190 nan 0.000 0.443 492 I N 4.608 125.138 120.570 -0.067 0.000 2.433 492 I HA 0.536 4.706 4.170 0.000 0.000 0.292 492 I C -0.779 175.338 176.117 0.000 0.000 1.001 492 I CA -0.836 60.458 61.300 -0.011 0.000 1.119 492 I CB 2.244 40.268 38.000 0.039 0.000 1.289 492 I HN 0.272 nan 8.210 nan 0.000 0.438 493 V N 4.535 124.468 119.914 0.032 0.000 2.448 493 V HA 0.496 4.616 4.120 0.000 0.000 0.295 493 V C 0.139 176.287 176.094 0.090 0.000 1.025 493 V CA -0.414 61.898 62.300 0.020 0.000 0.859 493 V CB 2.007 33.778 31.823 -0.088 0.000 0.988 493 V HN 0.884 nan 8.190 nan 0.000 0.431 494 T N 1.042 115.621 114.554 0.042 0.000 2.932 494 T HA 0.907 5.257 4.350 0.000 0.000 0.289 494 T C -0.238 174.504 174.700 0.070 0.000 1.039 494 T CA -0.285 61.814 62.100 -0.002 0.000 1.024 494 T CB 2.187 71.020 68.868 -0.058 0.000 1.090 494 T HN 0.875 nan 8.240 nan 0.000 0.496 495 T N -1.512 113.089 114.554 0.078 0.000 2.787 495 T HA 0.790 5.140 4.350 0.000 0.000 0.297 495 T C 0.459 175.288 174.700 0.214 0.000 1.221 495 T CA -0.368 61.840 62.100 0.180 0.000 1.006 495 T CB 1.279 70.257 68.868 0.183 0.000 1.328 495 T HN 1.038 nan 8.240 nan 0.000 0.509 496 G N -0.378 108.662 108.800 0.401 0.000 2.695 496 G HA2 0.614 4.574 3.960 0.000 0.000 0.213 496 G HA3 0.614 4.574 3.960 0.000 0.000 0.213 496 G C -1.031 173.967 174.900 0.163 0.000 1.406 496 G CA -0.736 44.564 45.100 0.333 0.000 1.049 496 G HN 0.901 nan 8.290 nan 0.000 0.573 497 V N 0.031 120.021 119.914 0.126 0.000 2.540 497 V HA 0.818 4.938 4.120 0.000 0.000 0.302 497 V C 0.711 176.759 176.094 -0.075 0.000 1.035 497 V CA 0.722 62.983 62.300 -0.064 0.000 0.873 497 V CB 0.545 32.329 31.823 -0.066 0.000 0.992 497 V HN 1.682 nan 8.190 nan 0.000 0.428 498 G N 3.605 112.250 108.800 -0.259 0.000 2.302 498 G HA2 -0.015 3.945 3.960 0.000 0.000 0.264 498 G HA3 -0.015 3.945 3.960 0.000 0.000 0.264 498 G C 0.038 174.702 174.900 -0.392 0.000 1.335 498 G CA -0.024 44.947 45.100 -0.214 0.000 0.982 498 G HN 0.433 nan 8.290 nan 0.000 0.473 499 Q N -0.772 118.809 119.800 -0.365 0.000 2.096 499 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 499 Q C 2.221 177.778 176.000 -0.738 0.000 0.982 499 Q CA 2.482 57.819 55.803 -0.776 0.000 0.850 499 Q CB -0.301 27.884 28.738 -0.921 0.000 0.901 499 Q HN 0.859 nan 8.270 nan 0.000 0.422 500 H N -0.270 118.702 119.070 -0.163 0.000 2.422 500 H HA -0.139 4.417 4.556 0.000 0.000 0.298 500 H C 2.008 177.399 175.328 0.106 0.000 1.098 500 H CA 1.476 57.617 56.048 0.156 0.000 1.315 500 H CB -0.290 29.562 29.762 0.150 0.000 1.382 500 H HN 0.268 nan 8.280 nan 0.000 0.523 501 Q N 0.204 119.592 119.800 -0.686 0.000 2.046 501 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 501 Q C 1.856 177.801 176.000 -0.091 0.000 0.975 501 Q CA 1.640 57.247 55.803 -0.327 0.000 0.836 501 Q CB 0.073 28.553 28.738 -0.429 0.000 0.896 501 Q HN 0.461 nan 8.270 nan 0.000 0.428 502 M N -0.686 118.763 119.600 -0.252 0.000 2.132 502 M HA -0.162 4.318 4.480 0.000 0.000 0.263 502 M C 1.863 178.091 176.300 -0.120 0.000 1.065 502 M CA 1.117 56.281 55.300 -0.226 0.000 1.122 502 M CB -1.176 31.146 32.600 -0.463 0.000 1.365 502 M HN 0.407 nan 8.290 nan 0.000 0.411 503 W N 0.554 121.820 121.300 -0.057 0.000 2.374 503 W HA -0.011 4.649 4.660 0.000 0.000 0.288 503 W C 2.642 179.200 176.519 0.064 0.000 1.218 503 W CA 1.390 58.736 57.345 0.002 0.000 1.245 503 W CB -1.332 28.136 29.460 0.013 0.000 1.126 503 W HN 0.293 nan 8.180 nan 0.000 0.545 504 A N 0.414 123.419 122.820 0.309 0.000 1.930 504 A HA 0.028 4.348 4.320 0.000 0.000 0.217 504 A C 2.248 179.993 177.584 0.268 0.000 1.175 504 A CA 2.400 54.621 52.037 0.306 0.000 0.627 504 A CB -0.929 18.264 19.000 0.322 0.000 0.815 504 A HN 0.103 nan 8.150 nan 0.000 0.443 505 A N -0.553 122.365 122.820 0.164 0.000 1.898 505 A HA -0.157 4.163 4.320 0.000 0.000 0.216 505 A C 2.141 179.820 177.584 0.158 0.000 1.181 505 A CA 1.556 53.650 52.037 0.094 0.000 0.620 505 A CB -0.478 18.555 19.000 0.055 0.000 0.819 505 A HN 0.649 nan 8.150 nan 0.000 0.442 506 Q N -1.257 118.481 119.800 -0.103 0.000 2.062 506 Q HA -0.088 4.252 4.340 0.000 0.000 0.196 506 Q C 1.742 177.422 176.000 -0.533 0.000 0.967 506 Q CA 1.279 56.743 55.803 -0.565 0.000 0.832 506 Q CB -0.209 27.741 28.738 -1.313 0.000 0.899 506 Q HN 0.761 nan 8.270 nan 0.000 0.442 507 H N -1.572 117.428 119.070 -0.117 0.000 2.548 507 H HA 0.012 4.568 4.556 0.000 0.000 0.265 507 H C 0.247 175.518 175.328 -0.095 0.000 0.969 507 H CA 0.087 56.085 56.048 -0.083 0.000 1.155 507 H CB 0.171 29.865 29.762 -0.113 0.000 1.394 507 H HN 0.272 nan 8.280 nan 0.000 0.570 508 W N 2.431 123.571 121.300 -0.267 0.000 2.237 508 W HA 0.121 4.781 4.660 0.000 0.000 0.335 508 W C -0.525 175.512 176.519 -0.803 0.000 1.230 508 W CA -0.014 56.951 57.345 -0.634 0.000 1.253 508 W CB 1.025 29.827 29.460 -1.097 0.000 1.129 508 W HN -0.229 nan 8.180 nan 0.000 0.590 509 T N 5.655 119.731 114.554 -0.797 0.000 2.811 509 T HA 0.132 4.482 4.350 0.000 0.000 0.309 509 T C -0.741 173.763 174.700 -0.326 0.000 1.005 509 T CA -0.060 61.773 62.100 -0.444 0.000 0.955 509 T CB -0.280 68.385 68.868 -0.339 0.000 0.970 509 T HN 0.216 nan 8.240 nan 0.000 0.496 510 W N 2.965 124.369 121.300 0.174 0.000 2.311 510 W HA 0.403 5.063 4.660 0.000 0.000 0.310 510 W C 1.367 177.932 176.519 0.076 0.000 1.274 510 W CA -0.829 56.607 57.345 0.151 0.000 1.215 510 W CB 0.780 30.280 29.460 0.067 0.000 1.227 510 W HN 0.551 nan 8.180 nan 0.000 0.523 511 R N 1.079 121.754 120.500 0.292 0.000 2.646 511 R HA 0.103 4.443 4.340 0.000 0.000 0.226 511 R C -0.189 176.190 176.300 0.132 0.000 0.928 511 R CA -0.234 55.952 56.100 0.143 0.000 1.010 511 R CB 0.258 30.601 30.300 0.071 0.000 1.516 511 R HN 0.363 nan 8.270 nan 0.000 0.621 512 N N 2.251 121.064 118.700 0.188 0.000 2.361 512 N HA 0.358 5.098 4.740 0.000 0.000 0.302 512 N C -2.820 172.770 175.510 0.135 0.000 1.074 512 N CA -1.787 51.359 53.050 0.160 0.000 0.850 512 N CB 1.711 40.314 38.487 0.194 0.000 1.228 512 N HN -0.213 nan 8.380 nan 0.000 0.491 513 P HA 0.118 nan 4.420 nan 0.000 0.271 513 P C -0.553 176.700 177.300 -0.077 0.000 1.216 513 P CA 0.412 63.424 63.100 -0.147 0.000 0.776 513 P CB 0.177 31.746 31.700 -0.217 0.000 0.881 514 H N -0.018 119.109 119.070 0.096 0.000 2.826 514 H HA -0.109 4.447 4.556 0.000 0.000 0.306 514 H C 0.461 175.861 175.328 0.119 0.000 1.235 514 H CA 1.321 57.421 56.048 0.086 0.000 1.150 514 H CB -2.524 27.288 29.762 0.084 0.000 1.409 514 H HN 0.541 nan 8.280 nan 0.000 0.420 515 T N -3.969 110.683 114.554 0.164 0.000 3.043 515 T HA 0.265 4.616 4.350 0.000 0.000 0.272 515 T C 0.032 174.851 174.700 0.198 0.000 0.990 515 T CA -0.252 61.948 62.100 0.166 0.000 0.897 515 T CB 0.437 69.421 68.868 0.192 0.000 1.111 515 T HN 0.123 nan 8.240 nan 0.000 0.529 516 F N 2.272 122.126 119.950 -0.161 0.000 2.496 516 F HA 0.668 5.196 4.527 0.000 0.000 0.341 516 F C -1.434 174.255 175.800 -0.186 0.000 1.134 516 F CA -2.791 55.007 58.000 -0.337 0.000 0.968 516 F CB 1.077 39.529 39.000 -0.914 0.000 1.205 516 F HN 0.034 nan 8.300 nan 0.000 0.436 517 I N 5.650 126.027 120.570 -0.322 0.000 2.390 517 I HA 0.381 4.551 4.170 0.000 0.000 0.283 517 I C -0.187 175.728 176.117 -0.336 0.000 1.016 517 I CA -0.282 60.869 61.300 -0.249 0.000 1.151 517 I CB 1.688 39.648 38.000 -0.067 0.000 1.293 517 I HN 0.528 nan 8.210 nan 0.000 0.458 518 T N 3.345 117.632 114.554 -0.445 0.000 2.894 518 T HA 0.284 4.634 4.350 0.000 0.000 0.309 518 T C -0.958 173.450 174.700 -0.486 0.000 1.208 518 T CA -0.428 61.414 62.100 -0.430 0.000 1.016 518 T CB 1.969 70.317 68.868 -0.868 0.000 1.192 518 T HN 0.421 nan 8.240 nan 0.000 0.491 519 S N 1.648 116.967 115.700 -0.635 0.000 2.416 519 S HA 0.540 5.010 4.470 0.000 0.000 0.287 519 S C 1.094 175.467 174.600 -0.378 0.000 1.139 519 S CA 0.200 57.984 58.200 -0.693 0.000 1.058 519 S CB 0.102 62.786 63.200 -0.859 0.000 0.967 519 S HN 0.882 nan 8.310 nan 0.000 0.495 520 G N 3.753 112.378 108.800 -0.293 0.000 2.798 520 G HA2 0.224 4.184 3.960 0.000 0.000 0.200 520 G HA3 0.224 4.184 3.960 0.000 0.000 0.200 520 G C 1.191 176.002 174.900 -0.147 0.000 1.092 520 G CA 0.400 45.385 45.100 -0.193 0.000 0.800 520 G HN 0.791 nan 8.290 nan 0.000 0.566 521 G N 1.009 109.725 108.800 -0.140 0.000 2.414 521 G HA2 -0.060 3.900 3.960 0.000 0.000 0.215 521 G HA3 -0.060 3.900 3.960 0.000 0.000 0.215 521 G C 1.660 176.505 174.900 -0.091 0.000 1.188 521 G CA 1.149 46.190 45.100 -0.099 0.000 0.783 521 G HN 0.339 nan 8.290 nan 0.000 0.537 522 L N 0.407 121.567 121.223 -0.104 0.000 2.298 522 L HA 0.399 4.739 4.340 0.000 0.000 0.209 522 L C 1.631 178.432 176.870 -0.115 0.000 1.084 522 L CA 1.436 56.224 54.840 -0.087 0.000 0.816 522 L CB -0.213 41.807 42.059 -0.063 0.000 0.967 522 L HN 0.453 nan 8.230 nan 0.000 0.460 523 G N 1.057 109.759 108.800 -0.162 0.000 2.392 523 G HA2 -0.253 3.708 3.960 0.000 0.000 0.290 523 G HA3 -0.253 3.708 3.960 0.000 0.000 0.290 523 G C 0.075 174.889 174.900 -0.144 0.000 1.032 523 G CA 0.464 45.464 45.100 -0.168 0.000 1.269 523 G HN 0.321 nan 8.290 nan 0.000 0.511 524 T N 2.925 117.372 114.554 -0.178 0.000 2.727 524 T HA 0.489 4.839 4.350 0.000 0.000 0.298 524 T C 1.215 175.861 174.700 -0.089 0.000 0.942 524 T CA -0.194 61.837 62.100 -0.115 0.000 0.997 524 T CB 0.620 69.433 68.868 -0.092 0.000 0.917 524 T HN 0.451 nan 8.240 nan 0.000 0.487 525 M N 2.392 121.966 119.600 -0.043 0.000 2.249 525 M HA 0.329 4.809 4.480 0.000 0.000 0.340 525 M C 1.494 177.787 176.300 -0.012 0.000 1.166 525 M CA 0.948 56.245 55.300 -0.004 0.000 1.115 525 M CB 0.324 32.929 32.600 0.007 0.000 1.606 525 M HN 0.985 nan 8.290 nan 0.000 0.448 526 G N 1.468 110.270 108.800 0.002 0.000 2.179 526 G HA2 -0.310 3.650 3.960 0.000 0.000 0.220 526 G HA3 -0.310 3.650 3.960 0.000 0.000 0.220 526 G C 0.353 175.204 174.900 -0.083 0.000 0.990 526 G CA 0.286 45.366 45.100 -0.033 0.000 0.646 526 G HN 0.806 nan 8.290 nan 0.000 0.517 527 Y N 1.727 121.852 120.300 -0.292 0.000 2.263 527 Y HA 0.194 4.744 4.550 0.000 0.000 0.292 527 Y C 2.557 178.337 175.900 -0.199 0.000 1.130 527 Y CA 2.449 60.284 58.100 -0.441 0.000 1.179 527 Y CB -0.503 37.708 38.460 -0.416 0.000 0.998 527 Y HN 0.238 nan 8.280 nan 0.000 0.532 528 G N 0.969 109.756 108.800 -0.022 0.000 2.553 528 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 528 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 528 G C 1.585 176.442 174.900 -0.071 0.000 1.195 528 G CA 1.416 46.499 45.100 -0.028 0.000 0.779 528 G HN 0.442 nan 8.290 nan 0.000 0.577 529 L N 2.496 123.716 121.223 -0.005 0.000 1.976 529 L HA 0.032 4.372 4.340 0.000 0.000 0.209 529 L C 0.402 177.246 176.870 -0.043 0.000 1.071 529 L CA 2.381 57.237 54.840 0.026 0.000 0.746 529 L CB -1.223 40.875 42.059 0.066 0.000 0.890 529 L HN 0.188 nan 8.230 nan 0.000 0.432 530 P HA -0.151 nan 4.420 nan 0.000 0.217 530 P C 1.410 178.602 177.300 -0.181 0.000 1.150 530 P CA 2.027 65.077 63.100 -0.083 0.000 0.832 530 P CB -0.163 31.523 31.700 -0.023 0.000 0.787 531 A N 0.717 123.311 122.820 -0.377 0.000 1.933 531 A HA -0.054 4.266 4.320 0.000 0.000 0.218 531 A C 2.529 179.977 177.584 -0.227 0.000 1.175 531 A CA 2.155 53.902 52.037 -0.484 0.000 0.628 531 A CB -1.517 16.877 19.000 -1.011 0.000 0.814 531 A HN 0.239 nan 8.150 nan 0.000 0.444 532 A N -0.006 122.724 122.820 -0.150 0.000 1.902 532 A HA -0.073 4.247 4.320 0.000 0.000 0.217 532 A C 2.119 179.704 177.584 0.003 0.000 1.181 532 A CA 1.481 53.489 52.037 -0.048 0.000 0.623 532 A CB -0.608 18.386 19.000 -0.009 0.000 0.818 532 A HN 0.491 nan 8.150 nan 0.000 0.443 533 I N -0.289 120.288 120.570 0.012 0.000 2.163 533 I HA -0.239 3.931 4.170 0.000 0.000 0.243 533 I C 2.701 178.891 176.117 0.121 0.000 1.085 533 I CA 1.263 62.606 61.300 0.071 0.000 1.347 533 I CB -0.632 37.416 38.000 0.080 0.000 1.044 533 I HN 0.412 nan 8.210 nan 0.000 0.408 534 G N 0.296 109.136 108.800 0.067 0.000 2.418 534 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 534 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 534 G C 1.859 176.882 174.900 0.205 0.000 1.158 534 G CA 0.771 45.952 45.100 0.134 0.000 0.771 534 G HN 0.494 nan 8.290 nan 0.000 0.545 535 A N 0.218 123.084 122.820 0.076 0.000 1.933 535 A HA -0.094 4.226 4.320 0.000 0.000 0.218 535 A C 2.296 179.936 177.584 0.093 0.000 1.175 535 A CA 2.236 54.308 52.037 0.059 0.000 0.628 535 A CB -0.400 18.610 19.000 0.015 0.000 0.814 535 A HN 0.429 nan 8.150 nan 0.000 0.444 536 Q N -0.277 119.585 119.800 0.103 0.000 2.167 536 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 536 Q C 1.778 177.860 176.000 0.137 0.000 0.970 536 Q CA 1.824 57.690 55.803 0.104 0.000 0.855 536 Q CB -0.423 28.368 28.738 0.087 0.000 0.911 536 Q HN 0.341 nan 8.270 nan 0.000 0.438 537 V N 0.507 120.543 119.914 0.204 0.000 2.427 537 V HA -0.224 3.896 4.120 0.000 0.000 0.248 537 V C 2.221 178.479 176.094 0.272 0.000 1.051 537 V CA 1.659 64.106 62.300 0.244 0.000 1.048 537 V CB -1.097 30.927 31.823 0.336 0.000 0.666 537 V HN 0.513 nan 8.190 nan 0.000 0.456 538 A N -0.872 122.112 122.820 0.274 0.000 1.898 538 A HA -0.093 4.227 4.320 0.000 0.000 0.216 538 A C 1.419 179.019 177.584 0.026 0.000 1.181 538 A CA 1.284 53.355 52.037 0.057 0.000 0.620 538 A CB -0.067 18.773 19.000 -0.266 0.000 0.819 538 A HN 0.396 nan 8.150 nan 0.000 0.442 539 K N -0.621 119.811 120.400 0.053 0.000 2.606 539 K HA 0.305 4.625 4.320 0.000 0.000 0.196 539 K C -2.521 174.123 176.600 0.073 0.000 1.048 539 K CA -1.880 54.438 56.287 0.052 0.000 1.017 539 K CB 1.091 33.637 32.500 0.076 0.000 1.413 539 K HN 0.085 nan 8.250 nan 0.000 0.568 540 P HA -0.151 nan 4.420 nan 0.000 0.218 540 P C 0.431 177.765 177.300 0.057 0.000 1.146 540 P CA 1.251 64.390 63.100 0.064 0.000 0.813 540 P CB 0.484 32.218 31.700 0.057 0.000 0.778 541 E N -1.484 118.748 120.200 0.055 0.000 2.479 541 E HA 0.094 4.445 4.350 0.000 0.000 0.193 541 E C 0.370 177.019 176.600 0.081 0.000 1.049 541 E CA 0.171 56.605 56.400 0.055 0.000 0.870 541 E CB -0.221 29.505 29.700 0.042 0.000 0.944 541 E HN 0.133 nan 8.360 nan 0.000 0.492 542 S N 0.592 116.358 115.700 0.111 0.000 2.632 542 S HA 0.297 4.767 4.470 0.000 0.000 0.271 542 S C -0.315 174.338 174.600 0.088 0.000 1.260 542 S CA -0.735 57.558 58.200 0.155 0.000 1.010 542 S CB 0.808 64.163 63.200 0.259 0.000 0.965 542 S HN 0.155 nan 8.310 nan 0.000 0.534 543 L N 3.787 125.051 121.223 0.068 0.000 2.295 543 L HA 0.443 4.783 4.340 0.000 0.000 0.288 543 L C -1.023 175.860 176.870 0.021 0.000 1.079 543 L CA -0.030 54.825 54.840 0.025 0.000 0.830 543 L CB 0.084 42.155 42.059 0.020 0.000 1.200 543 L HN 0.363 nan 8.230 nan 0.000 0.438 544 V N 7.329 127.250 119.914 0.011 0.000 2.350 544 V HA 0.430 4.550 4.120 0.000 0.000 0.276 544 V C 0.290 176.384 176.094 0.001 0.000 1.028 544 V CA -0.349 61.960 62.300 0.015 0.000 0.860 544 V CB 1.109 32.950 31.823 0.030 0.000 0.990 544 V HN 0.601 nan 8.190 nan 0.000 0.453 545 I N 3.888 124.466 120.570 0.014 0.000 2.378 545 I HA 0.387 4.557 4.170 0.000 0.000 0.291 545 I C -0.608 175.548 176.117 0.064 0.000 0.992 545 I CA -0.451 60.879 61.300 0.049 0.000 1.154 545 I CB 1.991 40.045 38.000 0.090 0.000 1.315 545 I HN 0.539 nan 8.210 nan 0.000 0.448 546 D N 7.928 128.387 120.400 0.099 0.000 2.443 546 D HA 0.319 4.959 4.640 0.000 0.000 0.221 546 D C -0.383 175.978 176.300 0.101 0.000 1.097 546 D CA -0.256 53.796 54.000 0.086 0.000 0.865 546 D CB 0.626 41.472 40.800 0.076 0.000 1.034 546 D HN 0.322 nan 8.370 nan 0.000 0.511 547 I N 3.752 124.398 120.570 0.127 0.000 2.311 547 I HA 0.153 4.324 4.170 0.000 0.000 0.297 547 I C 0.455 176.669 176.117 0.161 0.000 1.131 547 I CA -0.172 61.217 61.300 0.149 0.000 1.289 547 I CB 0.340 38.469 38.000 0.216 0.000 1.446 547 I HN 0.298 nan 8.210 nan 0.000 0.524 548 D N 4.250 124.616 120.400 -0.057 0.000 2.384 548 D HA 0.558 5.198 4.640 0.000 0.000 0.250 548 D C -0.032 175.791 176.300 -0.795 0.000 1.029 548 D CA -0.182 53.642 54.000 -0.294 0.000 0.990 548 D CB 2.426 43.136 40.800 -0.150 0.000 1.175 548 D HN 0.490 nan 8.370 nan 0.000 0.532 549 G N -0.350 107.783 108.800 -1.110 0.000 2.441 549 G HA2 0.246 4.206 3.960 0.000 0.000 0.334 549 G HA3 0.246 4.206 3.960 0.000 0.000 0.334 549 G C 0.768 175.512 174.900 -0.260 0.000 1.161 549 G CA -0.454 44.199 45.100 -0.744 0.000 0.935 549 G HN 0.499 nan 8.290 nan 0.000 0.488 550 D N 0.369 120.702 120.400 -0.111 0.000 2.117 550 D HA -0.126 4.514 4.640 0.000 0.000 0.198 550 D C 2.231 178.624 176.300 0.156 0.000 0.982 550 D CA 1.201 55.218 54.000 0.028 0.000 0.828 550 D CB -0.361 40.556 40.800 0.194 0.000 0.967 550 D HN 0.356 nan 8.370 nan 0.000 0.464 551 A N 0.890 123.775 122.820 0.108 0.000 1.897 551 A HA -0.073 4.248 4.320 0.000 0.000 0.215 551 A C 2.511 180.148 177.584 0.088 0.000 1.181 551 A CA 1.598 53.698 52.037 0.105 0.000 0.620 551 A CB -0.562 18.479 19.000 0.068 0.000 0.821 551 A HN 0.243 nan 8.150 nan 0.000 0.443 552 S N -0.973 114.775 115.700 0.079 0.000 2.356 552 S HA -0.140 4.330 4.470 0.000 0.000 0.223 552 S C 1.666 176.312 174.600 0.077 0.000 1.032 552 S CA 1.487 59.733 58.200 0.077 0.000 1.005 552 S CB -0.533 62.737 63.200 0.118 0.000 0.867 552 S HN 0.597 nan 8.310 nan 0.000 0.449 553 F N 2.878 122.780 119.950 -0.080 0.000 2.154 553 F HA -0.184 4.343 4.527 0.000 0.000 0.301 553 F C 1.740 177.531 175.800 -0.016 0.000 1.087 553 F CA 1.431 59.374 58.000 -0.094 0.000 1.274 553 F CB -0.766 38.096 39.000 -0.231 0.000 1.009 553 F HN 0.175 nan 8.300 nan 0.000 0.485 554 N N -0.558 118.172 118.700 0.049 0.000 2.223 554 N HA -0.203 4.537 4.740 0.000 0.000 0.185 554 N C 1.920 177.376 175.510 -0.090 0.000 1.016 554 N CA 1.529 54.581 53.050 0.004 0.000 0.863 554 N CB -0.154 38.405 38.487 0.120 0.000 0.983 554 N HN 0.234 nan 8.380 nan 0.000 0.429 555 M N -0.224 119.331 119.600 -0.074 0.000 2.106 555 M HA -0.109 4.372 4.480 0.000 0.000 0.259 555 M C 1.223 177.439 176.300 -0.140 0.000 1.068 555 M CA 1.539 56.788 55.300 -0.084 0.000 1.100 555 M CB -0.971 31.598 32.600 -0.053 0.000 1.351 555 M HN 0.314 nan 8.290 nan 0.000 0.404 556 T N -2.507 111.931 114.554 -0.194 0.000 3.288 556 T HA 0.342 4.692 4.350 0.000 0.000 0.293 556 T C 1.043 175.563 174.700 -0.300 0.000 1.008 556 T CA -0.390 61.589 62.100 -0.203 0.000 0.929 556 T CB -0.526 68.267 68.868 -0.125 0.000 1.152 556 T HN 0.218 nan 8.240 nan 0.000 0.517 557 L N -0.557 120.382 121.223 -0.474 0.000 2.349 557 L HA 0.122 4.463 4.340 0.000 0.000 0.220 557 L C 2.168 178.888 176.870 -0.250 0.000 1.130 557 L CA 1.586 56.042 54.840 -0.639 0.000 0.791 557 L CB -2.010 39.617 42.059 -0.720 0.000 0.918 557 L HN 0.263 nan 8.230 nan 0.000 0.444 558 T N -0.659 113.809 114.554 -0.143 0.000 3.007 558 T HA -0.099 4.251 4.350 0.000 0.000 0.270 558 T C 1.564 176.259 174.700 -0.008 0.000 1.107 558 T CA 1.029 63.102 62.100 -0.044 0.000 1.118 558 T CB -0.372 68.487 68.868 -0.014 0.000 0.889 558 T HN 0.473 nan 8.240 nan 0.000 0.506 559 E N 0.953 121.135 120.200 -0.030 0.000 2.516 559 E HA 0.090 4.440 4.350 0.000 0.000 0.199 559 E C 1.980 178.608 176.600 0.046 0.000 1.069 559 E CA 0.073 56.486 56.400 0.021 0.000 0.876 559 E CB -0.240 29.468 29.700 0.014 0.000 0.843 559 E HN 0.546 nan 8.360 nan 0.000 0.530 560 L N 0.967 122.216 121.223 0.043 0.000 2.083 560 L HA -0.202 4.138 4.340 0.000 0.000 0.209 560 L C 2.437 179.362 176.870 0.092 0.000 1.083 560 L CA 1.607 56.503 54.840 0.094 0.000 0.752 560 L CB -0.489 41.647 42.059 0.129 0.000 0.899 560 L HN 0.150 nan 8.230 nan 0.000 0.433 561 S N -1.825 113.924 115.700 0.082 0.000 2.423 561 S HA -0.115 4.355 4.470 0.000 0.000 0.231 561 S C 2.033 176.686 174.600 0.089 0.000 1.014 561 S CA 1.087 59.337 58.200 0.083 0.000 0.965 561 S CB -0.256 62.991 63.200 0.079 0.000 0.785 561 S HN 0.306 nan 8.310 nan 0.000 0.495 562 S N 2.518 118.274 115.700 0.094 0.000 2.368 562 S HA 0.088 4.559 4.470 0.000 0.000 0.225 562 S C 2.348 177.009 174.600 0.101 0.000 1.030 562 S CA 0.986 59.250 58.200 0.107 0.000 0.999 562 S CB -0.801 62.469 63.200 0.117 0.000 0.844 562 S HN 0.774 nan 8.310 nan 0.000 0.459 563 A N 1.291 124.168 122.820 0.095 0.000 1.908 563 A HA -0.067 4.253 4.320 0.000 0.000 0.218 563 A C 2.349 179.983 177.584 0.084 0.000 1.181 563 A CA 1.624 53.716 52.037 0.091 0.000 0.627 563 A CB -0.942 18.113 19.000 0.091 0.000 0.818 563 A HN 0.344 nan 8.150 nan 0.000 0.445 564 V N -0.086 119.877 119.914 0.081 0.000 2.261 564 V HA -0.315 3.805 4.120 0.000 0.000 0.246 564 V C 2.732 178.868 176.094 0.070 0.000 1.047 564 V CA 2.310 64.653 62.300 0.072 0.000 1.015 564 V CB -0.865 31.000 31.823 0.071 0.000 0.642 564 V HN 0.795 nan 8.190 nan 0.000 0.446 565 Q N -0.028 119.818 119.800 0.076 0.000 2.226 565 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 565 Q C 1.982 178.028 176.000 0.077 0.000 0.975 565 Q CA 1.763 57.612 55.803 0.076 0.000 0.866 565 Q CB -0.213 28.577 28.738 0.087 0.000 0.915 565 Q HN 0.651 nan 8.270 nan 0.000 0.440 566 A N -0.432 122.437 122.820 0.082 0.000 2.178 566 A HA 0.280 4.600 4.320 0.000 0.000 0.211 566 A C 1.470 179.095 177.584 0.069 0.000 1.157 566 A CA 0.748 52.833 52.037 0.079 0.000 0.780 566 A CB -0.316 18.741 19.000 0.095 0.000 0.828 566 A HN 0.613 nan 8.150 nan 0.000 0.476 567 G N 0.103 108.942 108.800 0.065 0.000 2.198 567 G HA2 -0.208 3.752 3.960 0.000 0.000 0.257 567 G HA3 -0.208 3.752 3.960 0.000 0.000 0.257 567 G C 0.280 175.215 174.900 0.059 0.000 1.042 567 G CA 0.594 45.728 45.100 0.057 0.000 0.791 567 G HN 1.434 nan 8.290 nan 0.000 0.502 568 T N -0.738 113.857 114.554 0.067 0.000 2.781 568 T HA 0.630 4.980 4.350 0.000 0.000 0.305 568 T C -1.596 173.137 174.700 0.055 0.000 1.001 568 T CA -1.684 60.456 62.100 0.068 0.000 0.950 568 T CB 2.368 71.287 68.868 0.084 0.000 0.955 568 T HN 0.139 nan 8.240 nan 0.000 0.471 569 P HA 0.122 nan 4.420 nan 0.000 0.232 569 P C 0.584 177.888 177.300 0.007 0.000 1.738 569 P CA -0.320 62.794 63.100 0.023 0.000 0.948 569 P CB -0.651 31.057 31.700 0.013 0.000 1.943 570 V N -1.108 118.821 119.914 0.026 0.000 2.811 570 V HA 0.290 4.410 4.120 0.000 0.000 0.302 570 V C 0.338 176.430 176.094 -0.004 0.000 1.063 570 V CA -0.321 61.990 62.300 0.018 0.000 1.088 570 V CB 0.421 32.275 31.823 0.050 0.000 0.982 570 V HN -0.001 nan 8.190 nan 0.000 0.485 571 K N 5.229 125.597 120.400 -0.053 0.000 2.316 571 K HA 0.551 4.871 4.320 0.000 0.000 0.267 571 K C -0.769 175.956 176.600 0.209 0.000 1.025 571 K CA -0.598 55.610 56.287 -0.131 0.000 0.896 571 K CB 1.300 33.374 32.500 -0.709 0.000 1.124 571 K HN 0.615 nan 8.250 nan 0.000 0.451 572 I N 4.158 124.921 120.570 0.322 0.000 2.304 572 I HA 0.241 4.411 4.170 0.000 0.000 0.291 572 I C -0.005 176.179 176.117 0.112 0.000 1.018 572 I CA -1.049 60.362 61.300 0.185 0.000 1.260 572 I CB 0.560 38.581 38.000 0.036 0.000 1.390 572 I HN 0.359 nan 8.210 nan 0.000 0.475 573 L N 8.528 129.764 121.223 0.021 0.000 2.287 573 L HA 0.550 4.890 4.340 0.000 0.000 0.287 573 L C -0.515 176.177 176.870 -0.296 0.000 1.022 573 L CA -0.018 54.693 54.840 -0.215 0.000 0.814 573 L CB 0.921 42.931 42.059 -0.082 0.000 1.217 573 L HN 0.372 nan 8.230 nan 0.000 0.420 574 I N 6.554 126.874 120.570 -0.417 0.000 2.328 574 I HA 0.247 4.417 4.170 0.000 0.000 0.287 574 I C -0.512 175.427 176.117 -0.296 0.000 1.012 574 I CA -0.449 60.567 61.300 -0.474 0.000 1.195 574 I CB 1.222 38.751 38.000 -0.784 0.000 1.350 574 I HN 0.454 nan 8.210 nan 0.000 0.464 575 L N 6.303 127.400 121.223 -0.211 0.000 2.356 575 L HA 0.210 4.550 4.340 0.000 0.000 0.282 575 L C 0.229 177.067 176.870 -0.055 0.000 1.132 575 L CA -0.258 54.530 54.840 -0.087 0.000 0.923 575 L CB -0.272 41.803 42.059 0.026 0.000 1.278 575 L HN 0.543 nan 8.230 nan 0.000 0.436 576 N N 2.761 121.439 118.700 -0.037 0.000 2.401 576 N HA 0.031 4.771 4.740 0.000 0.000 0.255 576 N C 0.445 176.002 175.510 0.079 0.000 1.110 576 N CA -0.228 52.852 53.050 0.049 0.000 0.949 576 N CB 0.605 39.170 38.487 0.130 0.000 1.110 576 N HN 0.452 nan 8.380 nan 0.000 0.490 577 N N 2.147 120.907 118.700 0.100 0.000 2.187 577 N HA 0.055 4.795 4.740 0.000 0.000 0.212 577 N C -0.785 174.800 175.510 0.124 0.000 1.152 577 N CA -0.218 52.898 53.050 0.110 0.000 0.872 577 N CB -0.265 38.301 38.487 0.133 0.000 1.025 577 N HN 0.555 nan 8.380 nan 0.000 0.514 578 E N 0.349 120.632 120.200 0.138 0.000 2.269 578 E HA -0.273 4.077 4.350 0.000 0.000 0.223 578 E C -0.887 175.819 176.600 0.177 0.000 1.244 578 E CA 1.082 57.576 56.400 0.157 0.000 0.713 578 E CB -1.558 28.228 29.700 0.144 0.000 1.178 578 E HN 0.881 nan 8.360 nan 0.000 0.370 579 E N -1.454 118.810 120.200 0.106 0.000 2.422 579 E HA 0.274 4.624 4.350 0.000 0.000 0.280 579 E C -1.050 175.526 176.600 -0.041 0.000 1.091 579 E CA -0.956 55.431 56.400 -0.022 0.000 0.849 579 E CB 0.763 30.426 29.700 -0.062 0.000 1.353 579 E HN 0.050 nan 8.360 nan 0.000 0.449 580 Q N 1.016 120.739 119.800 -0.128 0.000 2.835 580 Q HA 0.237 4.577 4.340 0.000 0.000 0.235 580 Q C 1.037 177.010 176.000 -0.044 0.000 1.313 580 Q CA 0.195 55.966 55.803 -0.054 0.000 1.053 580 Q CB 0.898 29.598 28.738 -0.063 0.000 1.443 580 Q HN 0.791 nan 8.270 nan 0.000 0.576 581 G N 1.827 110.627 108.800 0.001 0.000 2.649 581 G HA2 -0.365 3.595 3.960 0.000 0.000 0.220 581 G HA3 -0.365 3.595 3.960 0.000 0.000 0.220 581 G C 1.263 176.183 174.900 0.033 0.000 1.189 581 G CA 1.076 46.189 45.100 0.021 0.000 0.777 581 G HN 0.478 nan 8.290 nan 0.000 0.602 582 M N 0.258 119.868 119.600 0.016 0.000 2.202 582 M HA -0.001 4.479 4.480 0.000 0.000 0.262 582 M C 2.479 178.892 176.300 0.190 0.000 1.063 582 M CA 1.090 56.436 55.300 0.076 0.000 1.097 582 M CB -0.244 32.358 32.600 0.003 0.000 1.382 582 M HN 0.080 nan 8.290 nan 0.000 0.413 583 V N -0.643 119.330 119.914 0.098 0.000 2.407 583 V HA -0.199 3.921 4.120 0.000 0.000 0.245 583 V C 2.373 178.598 176.094 0.219 0.000 1.041 583 V CA 2.002 64.376 62.300 0.123 0.000 1.040 583 V CB -1.628 30.210 31.823 0.026 0.000 0.671 583 V HN 0.670 nan 8.190 nan 0.000 0.455 584 T N -1.380 113.258 114.554 0.140 0.000 2.833 584 T HA -0.328 4.022 4.350 0.000 0.000 0.269 584 T C 1.817 176.708 174.700 0.319 0.000 1.054 584 T CA 1.892 64.125 62.100 0.221 0.000 1.135 584 T CB -0.365 68.444 68.868 -0.098 0.000 0.869 584 T HN 0.524 nan 8.240 nan 0.000 0.466 585 Q N -0.440 119.511 119.800 0.252 0.000 2.050 585 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 585 Q C 1.963 178.098 176.000 0.224 0.000 0.980 585 Q CA 1.711 57.644 55.803 0.217 0.000 0.840 585 Q CB -0.320 28.540 28.738 0.202 0.000 0.898 585 Q HN 0.703 nan 8.270 nan 0.000 0.424 586 W N 0.967 122.390 121.300 0.206 0.000 2.402 586 W HA -0.097 4.563 4.660 0.000 0.000 0.286 586 W C 2.271 179.022 176.519 0.387 0.000 1.221 586 W CA 1.093 58.660 57.345 0.370 0.000 1.257 586 W CB -0.195 29.493 29.460 0.379 0.000 1.120 586 W HN 0.328 nan 8.180 nan 0.000 0.551 587 Q N -0.653 119.437 119.800 0.483 0.000 2.167 587 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 587 Q C 2.220 178.253 176.000 0.056 0.000 0.970 587 Q CA 1.735 57.744 55.803 0.344 0.000 0.855 587 Q CB -0.339 28.537 28.738 0.230 0.000 0.911 587 Q HN 0.142 nan 8.270 nan 0.000 0.438 588 S N 0.643 116.352 115.700 0.015 0.000 2.371 588 S HA -0.051 4.419 4.470 0.000 0.000 0.224 588 S C 1.888 176.157 174.600 -0.551 0.000 1.029 588 S CA 0.843 58.820 58.200 -0.372 0.000 0.978 588 S CB -0.054 63.092 63.200 -0.090 0.000 0.833 588 S HN 0.267 nan 8.310 nan 0.000 0.466 589 L N -0.742 120.211 121.223 -0.451 0.000 2.095 589 L HA 0.108 4.448 4.340 0.000 0.000 0.204 589 L C 1.432 177.748 176.870 -0.922 0.000 1.080 589 L CA 1.182 55.547 54.840 -0.791 0.000 0.759 589 L CB -0.275 41.050 42.059 -1.224 0.000 0.914 589 L HN 0.291 nan 8.230 nan 0.000 0.439 590 F N -3.093 116.734 119.950 -0.204 0.000 2.706 590 F HA 0.137 4.664 4.527 0.000 0.000 0.308 590 F C 0.449 175.861 175.800 -0.647 0.000 1.095 590 F CA -0.267 57.501 58.000 -0.387 0.000 1.244 590 F CB 0.350 39.098 39.000 -0.421 0.000 1.063 590 F HN -0.110 nan 8.300 nan 0.000 0.582 591 Y N 0.229 120.556 120.300 0.045 0.000 2.672 591 Y HA 0.251 4.801 4.550 0.000 0.000 0.272 591 Y C 0.006 175.860 175.900 -0.076 0.000 1.055 591 Y CA -1.391 56.715 58.100 0.012 0.000 1.151 591 Y CB -0.649 37.832 38.460 0.035 0.000 1.190 591 Y HN 0.056 nan 8.280 nan 0.000 0.574 592 E N 0.156 120.335 120.200 -0.036 0.000 2.165 592 E HA -0.331 4.019 4.350 0.000 0.000 0.203 592 E C -0.594 176.049 176.600 0.073 0.000 1.335 592 E CA 1.086 57.502 56.400 0.027 0.000 0.708 592 E CB -1.610 28.130 29.700 0.066 0.000 1.105 592 E HN 0.811 nan 8.360 nan 0.000 0.346 593 H N -2.900 116.061 119.070 -0.182 0.000 2.899 593 H HA -0.188 4.368 4.556 0.000 0.000 0.282 593 H C -0.027 174.837 175.328 -0.774 0.000 1.198 593 H CA 1.408 57.170 56.048 -0.477 0.000 1.140 593 H CB -1.259 28.400 29.762 -0.172 0.000 1.317 593 H HN 0.304 nan 8.280 nan 0.000 0.375 594 R N 1.055 121.317 120.500 -0.397 0.000 2.408 594 R HA 0.218 4.558 4.340 0.000 0.000 0.308 594 R C -0.699 175.427 176.300 -0.290 0.000 1.210 594 R CA -0.335 55.615 56.100 -0.250 0.000 1.115 594 R CB 0.246 30.519 30.300 -0.045 0.000 1.127 594 R HN 0.295 nan 8.270 nan 0.000 0.523 595 Y N 0.883 121.253 120.300 0.117 0.000 2.613 595 Y HA 0.068 4.618 4.550 0.000 0.000 0.354 595 Y C 0.874 176.788 175.900 0.023 0.000 1.063 595 Y CA -0.380 57.768 58.100 0.081 0.000 1.384 595 Y CB 0.835 39.386 38.460 0.151 0.000 1.199 595 Y HN 0.360 nan 8.280 nan 0.000 0.517 596 S N 4.788 120.516 115.700 0.047 0.000 2.400 596 S HA 0.120 4.590 4.470 0.000 0.000 0.295 596 S C 0.125 174.699 174.600 -0.044 0.000 1.113 596 S CA -0.457 57.679 58.200 -0.107 0.000 1.064 596 S CB -0.378 62.773 63.200 -0.082 0.000 0.990 596 S HN 0.810 nan 8.310 nan 0.000 0.502 597 H N 2.008 121.149 119.070 0.119 0.000 2.741 597 H HA -0.128 4.428 4.556 0.000 0.000 0.305 597 H C 0.911 176.268 175.328 0.048 0.000 1.169 597 H CA 1.306 57.409 56.048 0.091 0.000 1.144 597 H CB -2.420 27.372 29.762 0.051 0.000 1.397 597 H HN 0.716 nan 8.280 nan 0.000 0.409 598 T N -3.193 111.404 114.554 0.072 0.000 3.214 598 T HA 0.275 4.625 4.350 0.000 0.000 0.264 598 T C 0.204 174.675 174.700 -0.382 0.000 1.012 598 T CA -0.300 61.724 62.100 -0.127 0.000 0.901 598 T CB 0.083 68.844 68.868 -0.177 0.000 1.070 598 T HN 0.443 nan 8.240 nan 0.000 0.561 599 H N 2.472 121.577 119.070 0.057 0.000 2.991 599 H HA 0.426 4.983 4.556 0.000 0.000 0.304 599 H C -0.291 175.087 175.328 0.083 0.000 1.040 599 H CA -0.929 55.151 56.048 0.053 0.000 1.410 599 H CB 0.982 30.781 29.762 0.062 0.000 1.529 599 H HN 0.198 nan 8.280 nan 0.000 0.509 600 Q N 2.813 122.701 119.800 0.146 0.000 2.222 600 Q HA 0.237 4.577 4.340 0.000 0.000 0.252 600 Q C -0.802 175.264 176.000 0.111 0.000 0.926 600 Q CA -1.231 54.643 55.803 0.119 0.000 0.899 600 Q CB 2.183 30.975 28.738 0.090 0.000 1.250 600 Q HN 0.531 nan 8.270 nan 0.000 0.441 601 L N 3.331 124.603 121.223 0.081 0.000 2.325 601 L HA 0.274 4.614 4.340 0.000 0.000 0.284 601 L C -0.705 176.173 176.870 0.014 0.000 1.089 601 L CA 0.146 55.014 54.840 0.047 0.000 0.836 601 L CB -0.001 42.078 42.059 0.033 0.000 1.184 601 L HN 0.523 nan 8.230 nan 0.000 0.444 602 N N 6.441 125.126 118.700 -0.025 0.000 2.515 602 N HA 0.466 5.206 4.740 0.000 0.000 0.279 602 N C -2.261 173.082 175.510 -0.278 0.000 1.164 602 N CA -0.915 52.048 53.050 -0.144 0.000 0.982 602 N CB 0.470 38.810 38.487 -0.244 0.000 1.170 602 N HN 0.511 nan 8.380 nan 0.000 0.474 603 P HA 0.142 nan 4.420 nan 0.000 0.284 603 P C -0.753 176.256 177.300 -0.486 0.000 1.292 603 P CA -0.405 62.522 63.100 -0.289 0.000 0.800 603 P CB 0.852 32.470 31.700 -0.136 0.000 1.188 604 D N 0.038 120.287 120.400 -0.251 0.000 2.359 604 D HA 0.057 4.697 4.640 0.000 0.000 0.250 604 D C 0.914 177.155 176.300 -0.098 0.000 1.264 604 D CA -0.211 53.675 54.000 -0.191 0.000 0.911 604 D CB -0.176 40.583 40.800 -0.068 0.000 1.056 604 D HN 0.173 nan 8.370 nan 0.000 0.499 605 F N 2.501 122.480 119.950 0.048 0.000 2.161 605 F HA -0.220 4.307 4.527 0.000 0.000 0.300 605 F C 2.110 177.935 175.800 0.043 0.000 1.089 605 F CA 0.203 58.237 58.000 0.057 0.000 1.282 605 F CB -0.026 38.968 39.000 -0.010 0.000 1.010 605 F HN 0.389 nan 8.300 nan 0.000 0.485 606 I N 0.420 121.105 120.570 0.192 0.000 2.252 606 I HA -0.238 3.932 4.170 0.000 0.000 0.245 606 I C 2.069 178.246 176.117 0.100 0.000 1.102 606 I CA 1.521 62.892 61.300 0.118 0.000 1.385 606 I CB -0.643 37.402 38.000 0.074 0.000 1.064 606 I HN -0.019 nan 8.210 nan 0.000 0.414 607 K N -0.330 120.118 120.400 0.080 0.000 2.155 607 K HA -0.109 4.211 4.320 0.000 0.000 0.203 607 K C 2.035 178.687 176.600 0.086 0.000 1.052 607 K CA 0.906 57.232 56.287 0.065 0.000 0.948 607 K CB -0.289 32.233 32.500 0.038 0.000 0.728 607 K HN 0.156 nan 8.250 nan 0.000 0.448 608 L N 1.221 122.516 121.223 0.120 0.000 2.027 608 L HA -0.105 4.235 4.340 0.000 0.000 0.206 608 L C 2.210 179.176 176.870 0.160 0.000 1.074 608 L CA 1.772 56.703 54.840 0.151 0.000 0.745 608 L CB -0.678 41.524 42.059 0.238 0.000 0.898 608 L HN 0.089 nan 8.230 nan 0.000 0.433 609 A N -0.507 122.420 122.820 0.178 0.000 1.883 609 A HA -0.251 4.069 4.320 0.000 0.000 0.217 609 A C 2.136 179.789 177.584 0.115 0.000 1.186 609 A CA 2.004 54.135 52.037 0.157 0.000 0.624 609 A CB -0.735 18.349 19.000 0.140 0.000 0.822 609 A HN 0.653 nan 8.150 nan 0.000 0.444 610 E N -0.272 119.986 120.200 0.096 0.000 2.110 610 E HA -0.079 4.271 4.350 0.000 0.000 0.193 610 E C 2.238 178.880 176.600 0.070 0.000 0.988 610 E CA 0.864 57.310 56.400 0.075 0.000 0.804 610 E CB -0.294 29.444 29.700 0.063 0.000 0.745 610 E HN 0.629 nan 8.360 nan 0.000 0.458 611 A N 1.175 124.040 122.820 0.074 0.000 1.969 611 A HA -0.113 4.207 4.320 0.000 0.000 0.218 611 A C 2.074 179.699 177.584 0.070 0.000 1.169 611 A CA 0.998 53.074 52.037 0.065 0.000 0.635 611 A CB -0.162 18.876 19.000 0.063 0.000 0.810 611 A HN 0.107 nan 8.150 nan 0.000 0.445 612 M N -1.554 118.096 119.600 0.085 0.000 2.619 612 M HA 0.098 4.578 4.480 0.000 0.000 0.251 612 M C 1.507 177.855 176.300 0.080 0.000 1.106 612 M CA 1.140 56.492 55.300 0.086 0.000 1.086 612 M CB -0.629 32.035 32.600 0.107 0.000 1.465 612 M HN 0.774 nan 8.290 nan 0.000 0.506 613 G N 1.442 110.287 108.800 0.075 0.000 2.163 613 G HA2 -0.172 3.788 3.960 0.000 0.000 0.213 613 G HA3 -0.172 3.788 3.960 0.000 0.000 0.213 613 G C 0.036 174.978 174.900 0.069 0.000 0.991 613 G CA 0.239 45.379 45.100 0.067 0.000 0.653 613 G HN 0.479 nan 8.290 nan 0.000 0.518 614 L N -2.573 118.698 121.223 0.080 0.000 2.256 614 L HA 0.872 5.212 4.340 0.000 0.000 0.261 614 L C 0.375 177.293 176.870 0.080 0.000 1.022 614 L CA -1.491 53.397 54.840 0.080 0.000 0.828 614 L CB 1.242 43.357 42.059 0.093 0.000 1.374 614 L HN 0.025 nan 8.230 nan 0.000 0.436 615 K N 0.179 120.627 120.400 0.079 0.000 2.350 615 K HA 0.499 4.819 4.320 0.000 0.000 0.279 615 K C -0.312 176.342 176.600 0.091 0.000 1.027 615 K CA -0.019 56.315 56.287 0.079 0.000 0.969 615 K CB 0.962 33.508 32.500 0.076 0.000 0.954 615 K HN 0.919 nan 8.250 nan 0.000 0.474 616 G N 4.203 113.051 108.800 0.079 0.000 2.513 616 G HA2 0.591 4.551 3.960 0.000 0.000 0.317 616 G HA3 0.591 4.551 3.960 0.000 0.000 0.317 616 G C -1.272 173.662 174.900 0.057 0.000 1.277 616 G CA -0.747 44.397 45.100 0.074 0.000 0.955 616 G HN 0.540 nan 8.290 nan 0.000 0.484 617 L N 1.243 122.488 121.223 0.036 0.000 2.401 617 L HA 0.703 5.043 4.340 0.000 0.000 0.266 617 L C -0.051 176.805 176.870 -0.024 0.000 0.991 617 L CA -1.000 53.847 54.840 0.013 0.000 0.818 617 L CB 2.904 44.976 42.059 0.022 0.000 1.321 617 L HN 0.543 nan 8.230 nan 0.000 0.413 618 R N 1.462 121.952 120.500 -0.017 0.000 2.744 618 R HA 0.864 5.204 4.340 0.000 0.000 0.279 618 R C -2.074 174.207 176.300 -0.032 0.000 0.977 618 R CA -0.581 55.504 56.100 -0.025 0.000 0.906 618 R CB 2.750 33.053 30.300 0.005 0.000 1.197 618 R HN 0.415 nan 8.270 nan 0.000 0.463 619 V N 4.587 124.474 119.914 -0.044 0.000 2.777 619 V HA 0.370 4.490 4.120 0.000 0.000 0.306 619 V C -0.695 175.378 176.094 -0.035 0.000 1.112 619 V CA -0.400 61.876 62.300 -0.041 0.000 0.917 619 V CB 1.945 33.733 31.823 -0.058 0.000 1.018 619 V HN 1.019 nan 8.190 nan 0.000 0.426 620 K N 4.051 124.437 120.400 -0.024 0.000 2.538 620 K HA 0.434 4.754 4.320 0.000 0.000 0.215 620 K C 0.052 176.640 176.600 -0.019 0.000 1.345 620 K CA -0.472 55.804 56.287 -0.019 0.000 0.985 620 K CB 0.717 33.212 32.500 -0.008 0.000 1.116 620 K HN 0.470 nan 8.250 nan 0.000 0.582 621 K N 2.050 122.439 120.400 -0.019 0.000 2.211 621 K HA 0.209 4.529 4.320 0.000 0.000 0.275 621 K C 0.327 176.914 176.600 -0.023 0.000 1.024 621 K CA -0.332 55.944 56.287 -0.017 0.000 0.887 621 K CB 1.739 34.231 32.500 -0.013 0.000 1.084 621 K HN 0.075 nan 8.250 nan 0.000 0.463 622 Q N 1.683 121.469 119.800 -0.023 0.000 2.118 622 Q HA -0.252 4.088 4.340 0.000 0.000 0.211 622 Q C 1.405 177.390 176.000 -0.025 0.000 0.998 622 Q CA 1.861 57.648 55.803 -0.027 0.000 0.872 622 Q CB 0.046 28.770 28.738 -0.024 0.000 0.925 622 Q HN 0.597 nan 8.270 nan 0.000 0.414 623 E N 0.501 120.689 120.200 -0.020 0.000 2.472 623 E HA -0.171 4.179 4.350 0.000 0.000 0.200 623 E C 0.632 177.222 176.600 -0.016 0.000 1.046 623 E CA 0.928 57.317 56.400 -0.017 0.000 0.871 623 E CB 0.007 29.698 29.700 -0.014 0.000 0.806 623 E HN 0.524 nan 8.360 nan 0.000 0.533 624 E N -0.155 120.033 120.200 -0.018 0.000 2.511 624 E HA 0.070 4.420 4.350 0.000 0.000 0.209 624 E C 1.547 178.135 176.600 -0.021 0.000 0.986 624 E CA -0.290 56.100 56.400 -0.016 0.000 0.974 624 E CB 0.185 29.876 29.700 -0.015 0.000 1.030 624 E HN 0.027 nan 8.360 nan 0.000 0.490 625 L N 1.913 123.119 121.223 -0.029 0.000 1.989 625 L HA -0.228 4.112 4.340 0.000 0.000 0.211 625 L C 1.482 178.336 176.870 -0.026 0.000 1.071 625 L CA 2.022 56.840 54.840 -0.037 0.000 0.749 625 L CB -0.326 41.705 42.059 -0.046 0.000 0.890 625 L HN 0.022 nan 8.230 nan 0.000 0.431 626 D N -0.169 120.217 120.400 -0.022 0.000 2.106 626 D HA -0.216 4.424 4.640 0.000 0.000 0.191 626 D C 2.167 178.467 176.300 -0.000 0.000 0.997 626 D CA 1.762 55.753 54.000 -0.015 0.000 0.834 626 D CB -0.376 40.413 40.800 -0.018 0.000 0.956 626 D HN 0.509 nan 8.370 nan 0.000 0.448 627 A N 1.228 124.048 122.820 0.000 0.000 1.902 627 A HA -0.194 4.126 4.320 0.000 0.000 0.217 627 A C 2.081 179.680 177.584 0.024 0.000 1.181 627 A CA 1.434 53.477 52.037 0.010 0.000 0.623 627 A CB -0.254 18.750 19.000 0.006 0.000 0.818 627 A HN 0.018 nan 8.150 nan 0.000 0.443 628 K N -0.157 120.252 120.400 0.015 0.000 2.057 628 K HA -0.011 4.309 4.320 0.000 0.000 0.207 628 K C 1.918 178.558 176.600 0.066 0.000 1.049 628 K CA 1.069 57.370 56.287 0.023 0.000 0.931 628 K CB -0.673 31.815 32.500 -0.021 0.000 0.714 628 K HN 0.561 nan 8.250 nan 0.000 0.440 629 L N 0.660 121.916 121.223 0.054 0.000 2.083 629 L HA -0.198 4.143 4.340 0.000 0.000 0.209 629 L C 2.397 179.368 176.870 0.168 0.000 1.083 629 L CA 1.131 56.048 54.840 0.128 0.000 0.752 629 L CB -0.349 41.751 42.059 0.069 0.000 0.899 629 L HN 0.059 nan 8.230 nan 0.000 0.433 630 K N 0.364 120.819 120.400 0.090 0.000 1.985 630 K HA -0.212 4.108 4.320 0.000 0.000 0.210 630 K C 2.042 178.691 176.600 0.082 0.000 1.047 630 K CA 1.442 57.769 56.287 0.066 0.000 0.932 630 K CB -0.234 32.288 32.500 0.035 0.000 0.716 630 K HN 0.181 nan 8.250 nan 0.000 0.439 631 E N -0.801 119.454 120.200 0.091 0.000 2.085 631 E HA -0.225 4.125 4.350 0.000 0.000 0.194 631 E C 1.879 178.564 176.600 0.143 0.000 0.994 631 E CA 1.138 57.594 56.400 0.093 0.000 0.801 631 E CB -0.181 29.569 29.700 0.084 0.000 0.743 631 E HN 0.242 nan 8.360 nan 0.000 0.453 632 F N 1.002 120.957 119.950 0.007 0.000 2.043 632 F HA -0.238 4.289 4.527 0.000 0.000 0.297 632 F C 2.126 177.937 175.800 0.020 0.000 1.121 632 F CA 1.439 59.446 58.000 0.011 0.000 1.199 632 F CB -0.752 38.253 39.000 0.007 0.000 0.968 632 F HN -0.136 nan 8.300 nan 0.000 0.478 633 V N 0.243 120.118 119.914 -0.065 0.000 2.490 633 V HA -0.243 3.878 4.120 0.000 0.000 0.250 633 V C 2.346 178.375 176.094 -0.108 0.000 1.061 633 V CA 2.010 64.206 62.300 -0.174 0.000 1.064 633 V CB -0.988 30.816 31.823 -0.032 0.000 0.670 633 V HN 0.588 nan 8.190 nan 0.000 0.461 634 S N -2.099 113.578 115.700 -0.038 0.000 2.575 634 S HA 0.045 4.515 4.470 0.000 0.000 0.215 634 S C 0.879 175.468 174.600 -0.019 0.000 0.966 634 S CA -0.055 58.132 58.200 -0.022 0.000 0.911 634 S CB -0.360 62.841 63.200 0.002 0.000 0.780 634 S HN 0.478 nan 8.310 nan 0.000 0.514 635 T N 3.550 118.088 114.554 -0.027 0.000 2.916 635 T HA 0.172 4.522 4.350 0.000 0.000 0.303 635 T C 1.111 175.799 174.700 -0.021 0.000 1.025 635 T CA -0.282 61.813 62.100 -0.008 0.000 1.142 635 T CB 0.825 69.700 68.868 0.011 0.000 0.947 635 T HN 0.088 nan 8.240 nan 0.000 0.544 636 K N 2.295 122.694 120.400 -0.002 0.000 2.001 636 K HA 0.003 4.323 4.320 0.000 0.000 0.208 636 K C 1.523 178.124 176.600 0.001 0.000 1.048 636 K CA 0.924 57.211 56.287 -0.000 0.000 0.932 636 K CB -0.552 31.954 32.500 0.010 0.000 0.715 636 K HN 0.744 nan 8.250 nan 0.000 0.437 637 G N 1.387 110.194 108.800 0.011 0.000 2.641 637 G HA2 0.248 4.208 3.960 0.000 0.000 0.239 637 G HA3 0.248 4.208 3.960 0.000 0.000 0.239 637 G C -2.600 172.310 174.900 0.016 0.000 1.402 637 G CA -0.791 44.320 45.100 0.019 0.000 1.046 637 G HN 0.015 nan 8.290 nan 0.000 0.565 638 P HA 0.343 nan 4.420 nan 0.000 0.275 638 P C -0.859 176.479 177.300 0.063 0.000 1.227 638 P CA 0.032 63.159 63.100 0.044 0.000 0.781 638 P CB 1.854 33.592 31.700 0.064 0.000 0.906 639 V N 4.519 124.481 119.914 0.080 0.000 3.012 639 V HA 0.554 4.675 4.120 0.000 0.000 0.307 639 V C -1.612 174.626 176.094 0.241 0.000 1.166 639 V CA -1.148 61.238 62.300 0.143 0.000 0.974 639 V CB 2.289 34.200 31.823 0.147 0.000 1.040 639 V HN 0.488 nan 8.190 nan 0.000 0.428 640 L N 6.020 127.360 121.223 0.195 0.000 2.362 640 L HA 0.793 5.133 4.340 0.000 0.000 0.275 640 L C -1.625 175.252 176.870 0.012 0.000 0.998 640 L CA -0.800 54.106 54.840 0.110 0.000 0.820 640 L CB 1.661 43.730 42.059 0.016 0.000 1.270 640 L HN 0.793 nan 8.230 nan 0.000 0.415 641 L N 4.729 125.825 121.223 -0.213 0.000 2.372 641 L HA 0.497 4.837 4.340 0.000 0.000 0.274 641 L C -0.742 175.899 176.870 -0.382 0.000 0.988 641 L CA -0.006 54.597 54.840 -0.394 0.000 0.833 641 L CB 1.736 43.234 42.059 -0.935 0.000 1.236 641 L HN 0.716 nan 8.230 nan 0.000 0.410 642 E N 4.336 124.398 120.200 -0.230 0.000 2.197 642 E HA 0.571 4.921 4.350 0.000 0.000 0.281 642 E C -1.688 174.827 176.600 -0.142 0.000 0.995 642 E CA -0.731 55.558 56.400 -0.185 0.000 0.808 642 E CB 1.653 31.336 29.700 -0.028 0.000 1.093 642 E HN 0.552 nan 8.360 nan 0.000 0.394 643 V N 4.728 124.558 119.914 -0.141 0.000 2.407 643 V HA 0.185 4.305 4.120 0.000 0.000 0.291 643 V C -0.410 175.652 176.094 -0.054 0.000 1.018 643 V CA -0.791 61.447 62.300 -0.103 0.000 0.842 643 V CB 1.442 33.189 31.823 -0.127 0.000 0.996 643 V HN 0.754 nan 8.190 nan 0.000 0.426 644 E N 3.455 123.640 120.200 -0.026 0.000 2.265 644 E HA 0.356 4.706 4.350 0.000 0.000 0.272 644 E C -0.240 176.352 176.600 -0.012 0.000 1.067 644 E CA -0.120 56.280 56.400 0.001 0.000 0.900 644 E CB 1.466 31.172 29.700 0.011 0.000 1.017 644 E HN 0.636 nan 8.360 nan 0.000 0.431 645 V N 0.190 120.103 119.914 -0.002 0.000 2.919 645 V HA 0.388 4.508 4.120 0.000 0.000 0.316 645 V C 0.176 176.274 176.094 0.008 0.000 1.077 645 V CA -1.262 61.026 62.300 -0.020 0.000 0.977 645 V CB 1.917 33.714 31.823 -0.043 0.000 1.039 645 V HN 0.418 nan 8.190 nan 0.000 0.441 646 D N 1.456 121.851 120.400 -0.008 0.000 2.406 646 D HA 0.203 4.843 4.640 0.000 0.000 0.234 646 D C -0.014 176.323 176.300 0.061 0.000 1.196 646 D CA 0.493 54.509 54.000 0.025 0.000 0.881 646 D CB 0.573 41.381 40.800 0.013 0.000 1.205 646 D HN 0.731 nan 8.370 nan 0.000 0.453 647 K N 1.400 121.852 120.400 0.088 0.000 2.238 647 K HA 0.344 4.664 4.320 0.000 0.000 0.239 647 K C 0.035 176.706 176.600 0.119 0.000 0.987 647 K CA -0.967 55.386 56.287 0.110 0.000 0.857 647 K CB 1.144 33.710 32.500 0.111 0.000 1.154 647 K HN 0.161 nan 8.250 nan 0.000 0.439 648 K N -0.346 120.120 120.400 0.110 0.000 3.035 648 K HA -0.141 4.179 4.320 0.000 0.000 0.262 648 K C -0.843 175.856 176.600 0.165 0.000 1.024 648 K CA 0.383 56.736 56.287 0.109 0.000 0.748 648 K CB -2.182 30.371 32.500 0.088 0.000 1.247 648 K HN 0.393 nan 8.250 nan 0.000 0.482 649 V N 2.391 122.435 119.914 0.217 0.000 2.348 649 V HA 0.212 4.332 4.120 0.000 0.000 0.270 649 V C -1.276 175.042 176.094 0.373 0.000 1.037 649 V CA -1.401 61.059 62.300 0.267 0.000 0.872 649 V CB 1.267 33.215 31.823 0.208 0.000 1.002 649 V HN 0.094 nan 8.190 nan 0.000 0.464 650 P HA 0.207 nan 4.420 nan 0.000 0.275 650 P C -0.519 176.978 177.300 0.327 0.000 1.228 650 P CA -0.140 63.112 63.100 0.253 0.000 0.786 650 P CB 1.499 33.313 31.700 0.191 0.000 0.927 651 V N 4.327 124.304 119.914 0.105 0.000 2.432 651 V HA 0.247 4.367 4.120 0.000 0.000 0.271 651 V C 0.679 176.844 176.094 0.118 0.000 1.046 651 V CA 0.054 62.341 62.300 -0.022 0.000 0.945 651 V CB 0.135 31.524 31.823 -0.724 0.000 0.992 651 V HN 0.396 nan 8.190 nan 0.000 0.471 652 L N 6.305 127.688 121.223 0.267 0.000 2.376 652 L HA 0.590 4.930 4.340 0.000 0.000 0.258 652 L C -2.525 174.545 176.870 0.333 0.000 1.013 652 L CA -2.003 53.028 54.840 0.318 0.000 0.822 652 L CB 2.689 44.964 42.059 0.360 0.000 1.388 652 L HN 0.395 nan 8.230 nan 0.000 0.413 653 P HA 0.276 nan 4.420 nan 0.000 0.274 653 P C -1.191 176.276 177.300 0.279 0.000 1.260 653 P CA -0.418 62.817 63.100 0.225 0.000 0.793 653 P CB 0.586 32.272 31.700 -0.024 0.000 1.048 654 M N 0.231 119.968 119.600 0.229 0.000 2.322 654 M HA 0.442 4.922 4.480 0.000 0.000 0.286 654 M C -2.144 174.207 176.300 0.084 0.000 1.111 654 M CA -0.733 54.650 55.300 0.138 0.000 0.941 654 M CB 1.829 34.533 32.600 0.172 0.000 1.671 654 M HN -0.080 nan 8.290 nan 0.000 0.470 655 V N 3.989 123.900 119.914 -0.005 0.000 2.443 655 V HA 0.965 5.085 4.120 0.000 0.000 0.293 655 V C -0.493 175.596 176.094 -0.009 0.000 1.021 655 V CA -0.325 61.988 62.300 0.022 0.000 0.848 655 V CB 1.084 32.928 31.823 0.035 0.000 0.998 655 V HN 0.976 nan 8.190 nan 0.000 0.424 656 A N 3.324 126.151 122.820 0.012 0.000 2.564 656 A HA 1.014 5.334 4.320 0.000 0.000 0.288 656 A C 0.545 178.133 177.584 0.008 0.000 1.164 656 A CA 0.078 52.128 52.037 0.022 0.000 0.712 656 A CB 1.261 20.231 19.000 -0.049 0.000 1.303 656 A HN 2.078 nan 8.150 nan 0.000 0.418 657 G N -0.033 108.762 108.800 -0.008 0.000 2.591 657 G HA2 0.066 4.026 3.960 0.000 0.000 0.298 657 G HA3 0.066 4.026 3.960 0.000 0.000 0.298 657 G C 1.123 176.018 174.900 -0.008 0.000 1.195 657 G CA 0.895 45.975 45.100 -0.034 0.000 0.989 657 G HN 2.240 nan 8.290 nan 0.000 0.551 658 G N 0.130 108.925 108.800 -0.008 0.000 3.284 658 G HA2 0.469 4.429 3.960 0.000 0.000 0.236 658 G HA3 0.469 4.429 3.960 0.000 0.000 0.236 658 G C 0.666 175.567 174.900 0.002 0.000 1.158 658 G CA 1.288 46.387 45.100 -0.002 0.000 0.774 658 G HN 0.955 nan 8.290 nan 0.000 0.545 659 S N -0.160 115.542 115.700 0.003 0.000 2.585 659 S HA 0.524 4.994 4.470 0.000 0.000 0.273 659 S C 0.867 175.474 174.600 0.012 0.000 1.339 659 S CA -0.106 58.094 58.200 0.000 0.000 1.028 659 S CB 1.500 64.701 63.200 0.000 0.000 0.906 659 S HN 0.389 nan 8.310 nan 0.000 0.528 660 G N 0.344 109.148 108.800 0.006 0.000 2.502 660 G HA2 0.442 4.402 3.960 0.000 0.000 0.305 660 G HA3 0.442 4.402 3.960 0.000 0.000 0.305 660 G C 0.766 175.690 174.900 0.039 0.000 1.190 660 G CA -0.802 44.314 45.100 0.028 0.000 0.933 660 G HN 0.703 nan 8.290 nan 0.000 0.503 661 L N 0.119 121.381 121.223 0.066 0.000 2.187 661 L HA -0.083 4.257 4.340 0.000 0.000 0.213 661 L C 2.059 178.989 176.870 0.101 0.000 1.100 661 L CA 1.480 56.363 54.840 0.070 0.000 0.765 661 L CB -0.132 41.966 42.059 0.066 0.000 0.904 661 L HN 0.690 nan 8.230 nan 0.000 0.437 662 D N -0.895 119.528 120.400 0.039 0.000 2.328 662 D HA -0.081 4.559 4.640 0.000 0.000 0.221 662 D C 0.496 176.674 176.300 -0.203 0.000 1.072 662 D CA 0.153 54.159 54.000 0.009 0.000 0.850 662 D CB 0.003 40.763 40.800 -0.066 0.000 0.922 662 D HN 0.376 nan 8.370 nan 0.000 0.516 663 E N 0.757 120.869 120.200 -0.147 0.000 2.947 663 E HA 0.180 4.530 4.350 0.000 0.000 0.229 663 E C -0.476 175.999 176.600 -0.208 0.000 1.158 663 E CA -0.655 55.595 56.400 -0.249 0.000 1.441 663 E CB -0.053 29.575 29.700 -0.120 0.000 1.414 663 E HN 0.292 nan 8.360 nan 0.000 0.432 664 F N -0.951 118.946 119.950 -0.088 0.000 2.370 664 F HA 0.504 5.031 4.527 0.000 0.000 0.324 664 F C 0.185 175.963 175.800 -0.035 0.000 1.116 664 F CA -1.344 56.616 58.000 -0.067 0.000 1.123 664 F CB 0.409 39.350 39.000 -0.098 0.000 1.238 664 F HN -0.152 nan 8.300 nan 0.000 0.536 665 I N 2.041 122.756 120.570 0.240 0.000 2.342 665 I HA 0.183 4.353 4.170 0.000 0.000 0.291 665 I C -0.038 176.276 176.117 0.328 0.000 1.010 665 I CA -0.194 61.212 61.300 0.176 0.000 1.308 665 I CB 0.832 38.893 38.000 0.101 0.000 1.400 665 I HN 0.750 nan 8.210 nan 0.000 0.488 666 N N 4.558 123.452 118.700 0.322 0.000 2.477 666 N HA 0.335 5.075 4.740 0.000 0.000 0.284 666 N C -0.853 174.843 175.510 0.309 0.000 1.182 666 N CA -0.716 52.563 53.050 0.382 0.000 0.949 666 N CB 1.429 40.187 38.487 0.452 0.000 1.204 666 N HN 0.330 nan 8.380 nan 0.000 0.526 667 F N 1.706 121.785 119.950 0.215 0.000 2.484 667 F HA 0.211 4.738 4.527 0.000 0.000 0.360 667 F C -0.323 175.561 175.800 0.140 0.000 1.101 667 F CA 0.029 58.137 58.000 0.179 0.000 1.251 667 F CB 0.562 39.682 39.000 0.200 0.000 1.132 667 F HN 0.317 nan 8.300 nan 0.000 0.570 668 D N 8.319 128.167 120.400 -0.920 0.000 2.478 668 D HA 0.198 4.838 4.640 0.000 0.000 0.240 668 D C -2.091 173.684 176.300 -0.875 0.000 1.364 668 D CA -1.663 51.889 54.000 -0.748 0.000 0.987 668 D CB 2.207 42.842 40.800 -0.276 0.000 1.328 668 D HN 0.252 nan 8.370 nan 0.000 0.584 669 P HA -0.187 nan 4.420 nan 0.000 0.216 669 P C 1.149 178.351 177.300 -0.163 0.000 1.150 669 P CA 1.031 63.913 63.100 -0.364 0.000 0.843 669 P CB 0.734 32.370 31.700 -0.106 0.000 0.787 670 E N -0.129 119.978 120.200 -0.156 0.000 2.047 670 E HA -0.106 4.244 4.350 0.000 0.000 0.191 670 E C 2.053 178.611 176.600 -0.069 0.000 0.987 670 E CA 0.997 57.349 56.400 -0.081 0.000 0.799 670 E CB -0.258 29.401 29.700 -0.068 0.000 0.752 670 E HN -0.051 nan 8.360 nan 0.000 0.449 671 V N 1.347 121.202 119.914 -0.098 0.000 2.343 671 V HA -0.251 3.869 4.120 0.000 0.000 0.247 671 V C 2.396 178.474 176.094 -0.026 0.000 1.051 671 V CA 2.207 64.471 62.300 -0.060 0.000 1.036 671 V CB -0.600 31.182 31.823 -0.068 0.000 0.654 671 V HN 0.381 nan 8.190 nan 0.000 0.451 672 E N 0.303 120.483 120.200 -0.033 0.000 2.077 672 E HA -0.272 4.078 4.350 0.000 0.000 0.193 672 E C 2.504 179.134 176.600 0.050 0.000 0.989 672 E CA 1.200 57.631 56.400 0.051 0.000 0.800 672 E CB -0.145 29.634 29.700 0.131 0.000 0.746 672 E HN 0.365 nan 8.360 nan 0.000 0.452 673 R N 0.490 121.007 120.500 0.029 0.000 2.075 673 R HA -0.156 4.184 4.340 0.000 0.000 0.232 673 R C 2.152 178.464 176.300 0.021 0.000 1.126 673 R CA 1.908 58.029 56.100 0.034 0.000 0.963 673 R CB -0.175 30.140 30.300 0.026 0.000 0.858 673 R HN 0.385 nan 8.270 nan 0.000 0.435 674 Q N -0.294 119.509 119.800 0.006 0.000 2.079 674 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 674 Q C 2.133 178.127 176.000 -0.010 0.000 0.974 674 Q CA 1.059 56.861 55.803 -0.002 0.000 0.840 674 Q CB -0.059 28.675 28.738 -0.007 0.000 0.898 674 Q HN 0.274 nan 8.270 nan 0.000 0.430 675 Q N 0.019 119.823 119.800 0.008 0.000 2.170 675 Q HA -0.102 4.238 4.340 0.000 0.000 0.203 675 Q C 2.066 178.047 176.000 -0.033 0.000 0.976 675 Q CA 1.478 57.297 55.803 0.026 0.000 0.858 675 Q CB -0.366 28.429 28.738 0.095 0.000 0.907 675 Q HN 0.408 nan 8.270 nan 0.000 0.433 676 T N 1.200 115.731 114.554 -0.039 0.000 2.737 676 T HA -0.123 4.227 4.350 0.000 0.000 0.265 676 T C 1.657 176.193 174.700 -0.273 0.000 1.038 676 T CA 1.305 63.315 62.100 -0.150 0.000 1.144 676 T CB -0.063 68.786 68.868 -0.031 0.000 0.866 676 T HN 0.394 nan 8.240 nan 0.000 0.434 677 E N 0.711 120.870 120.200 -0.068 0.000 2.058 677 E HA -0.111 4.239 4.350 0.000 0.000 0.194 677 E C 2.155 178.717 176.600 -0.063 0.000 0.997 677 E CA 0.861 57.271 56.400 0.016 0.000 0.801 677 E CB -0.300 29.419 29.700 0.032 0.000 0.746 677 E HN 0.195 nan 8.360 nan 0.000 0.450 678 L N 1.441 122.587 121.223 -0.130 0.000 2.127 678 L HA -0.181 4.159 4.340 0.000 0.000 0.211 678 L C 2.349 178.997 176.870 -0.370 0.000 1.089 678 L CA 1.672 56.389 54.840 -0.205 0.000 0.757 678 L CB -0.291 41.643 42.059 -0.207 0.000 0.899 678 L HN -0.044 nan 8.230 nan 0.000 0.434 679 R N -1.904 118.321 120.500 -0.459 0.000 2.066 679 R HA -0.163 4.178 4.340 0.000 0.000 0.232 679 R C 2.324 178.557 176.300 -0.111 0.000 1.131 679 R CA 1.302 57.163 56.100 -0.399 0.000 0.955 679 R CB -0.336 29.861 30.300 -0.172 0.000 0.851 679 R HN 0.484 nan 8.270 nan 0.000 0.432 680 H N 0.671 119.743 119.070 0.002 0.000 2.422 680 H HA -0.094 4.462 4.556 0.000 0.000 0.298 680 H C 1.844 177.174 175.328 0.003 0.000 1.098 680 H CA 1.535 57.596 56.048 0.022 0.000 1.315 680 H CB 0.037 29.807 29.762 0.013 0.000 1.382 680 H HN 0.292 nan 8.280 nan 0.000 0.523 681 K N 0.559 121.008 120.400 0.082 0.000 1.991 681 K HA -0.018 4.302 4.320 0.000 0.000 0.207 681 K C 2.448 179.062 176.600 0.024 0.000 1.045 681 K CA 0.599 56.909 56.287 0.039 0.000 0.937 681 K CB 0.018 32.522 32.500 0.007 0.000 0.720 681 K HN 0.119 nan 8.250 nan 0.000 0.438 682 R N 0.551 121.044 120.500 -0.011 0.000 2.127 682 R HA -0.104 4.236 4.340 0.000 0.000 0.238 682 R C 2.133 178.468 176.300 0.058 0.000 1.134 682 R CA 1.841 57.946 56.100 0.008 0.000 0.975 682 R CB -0.439 29.845 30.300 -0.025 0.000 0.865 682 R HN 0.375 nan 8.270 nan 0.000 0.447 683 T N -2.952 111.665 114.554 0.104 0.000 3.144 683 T HA 0.183 4.533 4.350 0.000 0.000 0.249 683 T C 1.142 175.898 174.700 0.094 0.000 1.089 683 T CA 0.310 62.505 62.100 0.158 0.000 0.989 683 T CB 0.623 69.678 68.868 0.311 0.000 0.992 683 T HN 0.377 nan 8.240 nan 0.000 0.540 684 G N 0.918 109.756 108.800 0.065 0.000 2.249 684 G HA2 0.079 4.039 3.960 0.000 0.000 0.273 684 G HA3 0.079 4.039 3.960 0.000 0.000 0.273 684 G C 1.084 175.997 174.900 0.021 0.000 1.036 684 G CA 0.290 45.412 45.100 0.036 0.000 0.824 684 G HN 1.771 nan 8.290 nan 0.000 0.504 685 G N -1.123 107.706 108.800 0.050 0.000 2.168 685 G HA2 -0.332 3.628 3.960 0.000 0.000 0.263 685 G HA3 -0.332 3.628 3.960 0.000 0.000 0.263 685 G C 1.330 176.209 174.900 -0.034 0.000 0.977 685 G CA 1.393 46.507 45.100 0.024 0.000 0.659 685 G HN 0.793 nan 8.290 nan 0.000 0.533 686 K N -0.211 120.140 120.400 -0.082 0.000 2.155 686 K HA 0.071 4.391 4.320 0.000 0.000 0.203 686 K C 0.988 177.218 176.600 -0.616 0.000 1.052 686 K CA 1.217 57.299 56.287 -0.341 0.000 0.948 686 K CB 0.014 32.288 32.500 -0.377 0.000 0.728 686 K HN 0.698 nan 8.250 nan 0.000 0.448 687 H N 0.000 119.139 119.070 0.115 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.113 56.048 0.109 0.000 1.023 687 H CB 0.000 29.774 29.762 0.020 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496