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 3pt6_1_A DATA FIRST_RESID 651 DATA SEQUENCE MKRRRCGVCE VCQQPECGKC KACKDMVKFG GTGRSKQACL KRRCPNLAVK DATA SEQUENCE EADDDEEADD DVSEMPSPKK LHQGKKKKQN KDRISWLGQP MKIEENRTYY DATA SEQUENCE QKVSIDEEML EVGDCVSVIP DDSSKPLYLA RVTALWEDKN GQMMFHAHWF DATA SEQUENCE CAGTDTVLGA TSDPLELFLV GECENMQLSY IHSKVKVIYK APSENWAMEG DATA SEQUENCE GXXXXXXXXX XXXXKTYFFQ LWYNQEYARF ESPPKTQPTE DNKHKFCLSC DATA SEQUENCE IRLAELRQKE MPKVLEQIEE VDGRVYCSSI TKNGVVYRLG DSVYLPPEAF DATA SEQUENCE TFNIKVASPV KRPKKDPVNE TLYPEHYRKY SDYIKGSNLD APEPYRIGRI DATA SEQUENCE KEIHCGKKKG KVNEADIKLR LYKFYRPENT HRSYNGSYHT DINMLYWSDE DATA SEQUENCE EAVVNFSDVQ GRCTVEYGED LLESIQDYSQ GGPDRFYFLE AYNSKTKNFE DATA SEQUENCE DPPNHARSPG NKGKGXXXXX XXXXXXXXXX XXXXXXXXLP KLRTLDVFSG DATA SEQUENCE CGGLSEGFHQ AGISETLWAI EMWDPAAQAF RLNNPGTTVF TEDCNVLLKL DATA SEQUENCE VMAGEVTNSL GQRLPQKGDV EMLCGGPPCQ GFSGMNRFNS RTYSKFKNSL DATA SEQUENCE VVSFLSYCDY YRPRFFLLEN VRNFVSYRRS MVLKLTLRCL VRMGYQCTFG DATA SEQUENCE VLQAGQYGVA QTRRRAIILA AAPGEKLPLF PEPLHVFAPR ACQLSVVVDD DATA SEQUENCE KKFVSNITRL SSGPFRTITV RDTMSDLPEI QNGASNSEIP YNGEPLSWFQ DATA SEQUENCE RQLRGSHYQP ILRDHICKDM SPLVAARMRH IPLFPGSDWR DLPNIQVRLG DATA SEQUENCE DGVIAHKLQY TFHDVKNGYS STGALRGVCS CAEGKACDPE SRQFSTLIPW DATA SEQUENCE CLPHTGNRHN HWAGLYGRLE WDGFFSTTVT NPEPMGKQGR VLHPEQHRVV DATA SEQUENCE SVRECARSQG FPDSYRFFGN ILDRHRQVGN AVPPPLAKAI GLEIKLCLLS 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 651 M HA 0.000 nan 4.480 nan 0.000 0.227 651 M C 0.000 176.329 176.300 0.049 0.000 1.140 651 M CA 0.000 55.339 55.300 0.065 0.000 0.988 651 M CB 0.000 32.635 32.600 0.058 0.000 1.302 652 K N 2.982 123.398 120.400 0.026 0.000 2.322 652 K HA 0.659 4.979 4.320 -0.000 0.000 0.283 652 K C -0.261 176.336 176.600 -0.005 0.000 1.042 652 K CA -0.341 55.957 56.287 0.018 0.000 0.958 652 K CB 0.503 33.012 32.500 0.014 0.000 0.984 652 K HN 0.828 nan 8.250 nan 0.000 0.473 653 R N 0.050 120.550 120.500 0.000 0.000 2.517 653 R HA 0.860 5.200 4.340 -0.000 0.000 0.250 653 R C 0.812 177.101 176.300 -0.018 0.000 1.213 653 R CA -0.135 55.953 56.100 -0.020 0.000 1.146 653 R CB 0.515 30.815 30.300 -0.000 0.000 1.279 653 R HN 0.847 nan 8.270 nan 0.000 0.597 654 R N 0.528 121.012 120.500 -0.026 0.000 3.034 654 R HA 0.357 4.697 4.340 -0.000 0.000 0.264 654 R C -1.316 174.970 176.300 -0.023 0.000 1.030 654 R CA -0.624 55.463 56.100 -0.021 0.000 0.903 654 R CB 0.498 30.785 30.300 -0.023 0.000 1.414 654 R HN 0.754 nan 8.270 nan 0.000 0.429 655 R N 0.760 121.247 120.500 -0.021 0.000 2.486 655 R HA 0.595 4.935 4.340 -0.000 0.000 0.286 655 R C 0.294 176.578 176.300 -0.027 0.000 0.999 655 R CA 0.182 56.268 56.100 -0.022 0.000 0.993 655 R CB 1.040 31.329 30.300 -0.019 0.000 1.084 655 R HN 1.127 nan 8.270 nan 0.000 0.487 656 C N 1.695 120.976 119.300 -0.031 0.000 2.595 656 C HA 0.565 5.025 4.460 -0.000 0.000 0.384 656 C C 1.584 176.553 174.990 -0.035 0.000 1.289 656 C CA -0.061 58.935 59.018 -0.036 0.000 2.372 656 C CB 0.418 28.132 27.740 -0.044 0.000 2.593 656 C HN 0.938 nan 8.230 nan 0.000 0.639 657 G N 0.163 108.939 108.800 -0.039 0.000 2.838 657 G HA2 0.328 4.288 3.960 -0.000 0.000 0.210 657 G HA3 0.328 4.288 3.960 -0.000 0.000 0.210 657 G C 1.047 175.911 174.900 -0.060 0.000 1.153 657 G CA 0.905 45.980 45.100 -0.041 0.000 0.778 657 G HN 1.327 nan 8.290 nan 0.000 0.539 658 V N 1.338 121.209 119.914 -0.071 0.000 2.426 658 V HA 0.099 4.219 4.120 -0.000 0.000 0.242 658 V C 2.149 178.198 176.094 -0.076 0.000 1.036 658 V CA 1.075 63.317 62.300 -0.096 0.000 1.044 658 V CB -0.968 30.789 31.823 -0.110 0.000 0.688 658 V HN 0.482 nan 8.190 nan 0.000 0.462 659 C N 0.267 119.532 119.300 -0.059 0.000 2.775 659 C HA 0.485 4.945 4.460 -0.000 0.000 0.391 659 C C 2.055 177.032 174.990 -0.022 0.000 1.295 659 C CA 0.600 59.593 59.018 -0.042 0.000 2.119 659 C CB 0.385 28.103 27.740 -0.037 0.000 2.705 659 C HN 0.923 nan 8.230 nan 0.000 0.710 660 E N 0.833 121.031 120.200 -0.005 0.000 2.204 660 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 660 E C 1.720 178.318 176.600 -0.004 0.000 0.990 660 E CA 1.766 58.172 56.400 0.010 0.000 0.821 660 E CB -0.678 29.036 29.700 0.023 0.000 0.750 660 E HN 0.757 nan 8.360 nan 0.000 0.477 661 V N 0.332 120.237 119.914 -0.014 0.000 2.270 661 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 661 V C 2.738 178.817 176.094 -0.025 0.000 1.043 661 V CA 1.849 64.135 62.300 -0.023 0.000 1.014 661 V CB -0.690 31.119 31.823 -0.024 0.000 0.645 661 V HN 0.806 nan 8.190 nan 0.000 0.447 662 C N -0.216 119.071 119.300 -0.022 0.000 2.413 662 C HA -0.226 4.234 4.460 -0.000 0.000 0.277 662 C C 2.861 177.845 174.990 -0.009 0.000 1.228 662 C CA 1.130 60.136 59.018 -0.019 0.000 1.731 662 C CB -1.311 26.416 27.740 -0.022 0.000 2.042 662 C HN 0.607 nan 8.230 nan 0.000 0.468 663 Q N 0.369 120.168 119.800 -0.001 0.000 2.152 663 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 663 Q C 0.807 176.831 176.000 0.041 0.000 0.985 663 Q CA 0.912 56.731 55.803 0.026 0.000 0.863 663 Q CB -0.285 28.473 28.738 0.034 0.000 0.904 663 Q HN 0.745 nan 8.270 nan 0.000 0.422 664 Q N 1.887 121.689 119.800 0.004 0.000 2.269 664 Q HA -0.001 4.339 4.340 -0.000 0.000 0.300 664 Q C -2.208 173.760 176.000 -0.053 0.000 1.070 664 Q CA -0.905 54.864 55.803 -0.056 0.000 0.957 664 Q CB 0.080 28.756 28.738 -0.103 0.000 1.131 664 Q HN 0.102 nan 8.270 nan 0.000 0.377 665 P HA 0.066 nan 4.420 nan 0.000 0.279 665 P C -0.826 176.440 177.300 -0.057 0.000 1.276 665 P CA -0.520 62.568 63.100 -0.020 0.000 0.801 665 P CB 0.678 32.404 31.700 0.042 0.000 1.127 666 E N -0.729 119.467 120.200 -0.007 0.000 2.383 666 E HA 0.056 4.406 4.350 -0.000 0.000 0.264 666 E C 0.663 177.263 176.600 0.001 0.000 1.050 666 E CA -0.253 56.134 56.400 -0.021 0.000 0.896 666 E CB 0.287 29.988 29.700 0.001 0.000 0.982 666 E HN 0.510 nan 8.360 nan 0.000 0.424 667 C N 0.357 119.626 119.300 -0.052 0.000 2.480 667 C HA 0.479 4.939 4.460 -0.000 0.000 0.304 667 C C 1.614 176.636 174.990 0.053 0.000 1.399 667 C CA 0.359 59.364 59.018 -0.022 0.000 1.900 667 C CB -0.890 26.808 27.740 -0.069 0.000 2.194 667 C HN 0.916 nan 8.230 nan 0.000 0.550 668 G N 0.356 109.100 108.800 -0.093 0.000 2.141 668 G HA2 0.021 3.980 3.960 -0.000 0.000 0.231 668 G HA3 0.021 3.980 3.960 -0.000 0.000 0.231 668 G C 0.803 175.694 174.900 -0.014 0.000 0.984 668 G CA 0.962 46.024 45.100 -0.063 0.000 0.660 668 G HN 1.116 nan 8.290 nan 0.000 0.525 669 K N -0.917 119.452 120.400 -0.052 0.000 2.352 669 K HA 0.593 4.913 4.320 -0.000 0.000 0.194 669 K C 1.449 178.014 176.600 -0.059 0.000 1.038 669 K CA 1.317 57.583 56.287 -0.035 0.000 1.023 669 K CB -0.344 32.139 32.500 -0.029 0.000 0.840 669 K HN 0.860 nan 8.250 nan 0.000 0.519 670 C N 0.587 119.828 119.300 -0.099 0.000 2.705 670 C HA 0.476 4.936 4.460 -0.000 0.000 0.382 670 C C 2.565 177.505 174.990 -0.083 0.000 1.322 670 C CA 0.169 59.131 59.018 -0.094 0.000 2.290 670 C CB 1.318 28.986 27.740 -0.120 0.000 2.650 670 C HN 0.698 nan 8.230 nan 0.000 0.695 671 K N 0.353 120.715 120.400 -0.064 0.000 2.147 671 K HA 0.036 4.356 4.320 -0.000 0.000 0.205 671 K C 2.012 178.572 176.600 -0.066 0.000 1.049 671 K CA 1.937 58.193 56.287 -0.051 0.000 0.936 671 K CB -0.826 31.652 32.500 -0.038 0.000 0.722 671 K HN 0.902 nan 8.250 nan 0.000 0.446 672 A N -0.080 122.689 122.820 -0.086 0.000 1.878 672 A HA 0.017 4.336 4.320 -0.000 0.000 0.213 672 A C 2.563 180.042 177.584 -0.175 0.000 1.192 672 A CA 1.222 53.197 52.037 -0.103 0.000 0.619 672 A CB -0.886 18.059 19.000 -0.092 0.000 0.837 672 A HN 0.576 nan 8.150 nan 0.000 0.446 673 C N -0.151 119.004 119.300 -0.241 0.000 2.410 673 C HA -0.086 4.374 4.460 -0.000 0.000 0.281 673 C C 2.663 177.336 174.990 -0.528 0.000 1.318 673 C CA 1.449 60.184 59.018 -0.471 0.000 1.776 673 C CB -1.053 26.427 27.740 -0.433 0.000 1.942 673 C HN 0.557 nan 8.230 nan 0.000 0.508 674 K N -0.297 119.970 120.400 -0.222 0.000 2.305 674 K HA -0.081 4.239 4.320 -0.000 0.000 0.199 674 K C 1.260 177.852 176.600 -0.014 0.000 1.047 674 K CA 1.211 57.460 56.287 -0.064 0.000 0.976 674 K CB -0.157 32.333 32.500 -0.017 0.000 0.765 674 K HN 0.482 nan 8.250 nan 0.000 0.474 675 D N 0.052 120.420 120.400 -0.054 0.000 2.339 675 D HA 0.049 4.689 4.640 -0.000 0.000 0.217 675 D C 0.135 176.432 176.300 -0.006 0.000 1.050 675 D CA -0.068 53.923 54.000 -0.016 0.000 0.856 675 D CB 0.335 41.120 40.800 -0.024 0.000 0.922 675 D HN -0.022 nan 8.370 nan 0.000 0.518 676 M N 0.463 120.041 119.600 -0.038 0.000 2.252 676 M HA -0.041 4.439 4.480 -0.000 0.000 0.333 676 M C 1.665 178.028 176.300 0.104 0.000 1.111 676 M CA -0.184 55.119 55.300 0.004 0.000 1.140 676 M CB 1.573 34.130 32.600 -0.071 0.000 1.538 676 M HN -0.079 nan 8.290 nan 0.000 0.448 677 V N 4.315 124.279 119.914 0.084 0.000 2.255 677 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 677 V C 2.226 178.388 176.094 0.113 0.000 1.051 677 V CA 2.605 64.954 62.300 0.081 0.000 1.018 677 V CB -0.531 31.325 31.823 0.055 0.000 0.641 677 V HN 1.002 nan 8.190 nan 0.000 0.445 678 K N -0.744 119.750 120.400 0.156 0.000 2.152 678 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 678 K C 1.738 178.414 176.600 0.126 0.000 1.048 678 K CA 2.195 58.566 56.287 0.140 0.000 0.933 678 K CB -0.667 31.934 32.500 0.170 0.000 0.721 678 K HN 0.530 nan 8.250 nan 0.000 0.447 679 F N 1.118 121.067 119.950 -0.002 0.000 2.676 679 F HA 0.220 4.747 4.527 -0.000 0.000 0.300 679 F C 1.428 177.226 175.800 -0.003 0.000 1.160 679 F CA 0.265 58.263 58.000 -0.004 0.000 1.401 679 F CB 0.598 39.594 39.000 -0.006 0.000 1.037 679 F HN 0.400 nan 8.300 nan 0.000 0.522 680 G N 0.133 109.010 108.800 0.129 0.000 2.267 680 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 680 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 680 G C 0.910 175.852 174.900 0.070 0.000 0.998 680 G CA -0.136 45.007 45.100 0.073 0.000 0.620 680 G HN 0.712 nan 8.290 nan 0.000 0.529 681 G N -1.050 107.804 108.800 0.091 0.000 2.690 681 G HA2 0.528 4.488 3.960 -0.000 0.000 0.239 681 G HA3 0.528 4.488 3.960 -0.000 0.000 0.239 681 G C 1.261 176.185 174.900 0.040 0.000 1.233 681 G CA 1.041 46.175 45.100 0.056 0.000 0.847 681 G HN 1.308 nan 8.290 nan 0.000 0.588 682 T N -1.016 113.553 114.554 0.026 0.000 2.962 682 T HA 0.326 4.676 4.350 -0.000 0.000 0.270 682 T C 2.158 176.869 174.700 0.018 0.000 1.088 682 T CA 1.732 63.844 62.100 0.019 0.000 1.127 682 T CB -0.336 68.540 68.868 0.013 0.000 0.883 682 T HN 2.182 nan 8.240 nan 0.000 0.493 683 G N 1.094 109.904 108.800 0.016 0.000 2.153 683 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 683 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 683 G C 1.139 176.042 174.900 0.005 0.000 0.994 683 G CA 0.657 45.764 45.100 0.012 0.000 0.698 683 G HN 0.688 nan 8.290 nan 0.000 0.521 684 R N 0.371 120.873 120.500 0.004 0.000 2.235 684 R HA 0.097 4.437 4.340 -0.000 0.000 0.213 684 R C 2.538 178.836 176.300 -0.003 0.000 1.059 684 R CA 1.111 57.212 56.100 0.002 0.000 0.997 684 R CB -0.341 29.961 30.300 0.002 0.000 0.884 684 R HN 0.397 nan 8.270 nan 0.000 0.462 685 S N 1.326 117.022 115.700 -0.007 0.000 2.348 685 S HA -0.131 4.339 4.470 -0.000 0.000 0.221 685 S C 0.523 175.115 174.600 -0.013 0.000 1.033 685 S CA 1.214 59.406 58.200 -0.013 0.000 1.010 685 S CB 0.028 63.215 63.200 -0.023 0.000 0.891 685 S HN 0.336 nan 8.310 nan 0.000 0.442 686 K N 0.358 120.750 120.400 -0.014 0.000 3.161 686 K HA -0.099 4.221 4.320 -0.000 0.000 0.270 686 K C -0.896 175.694 176.600 -0.017 0.000 1.115 686 K CA 0.439 56.719 56.287 -0.011 0.000 0.789 686 K CB -1.251 31.246 32.500 -0.005 0.000 1.256 686 K HN 0.443 nan 8.250 nan 0.000 0.492 687 Q N -0.818 118.965 119.800 -0.028 0.000 2.451 687 Q HA 0.696 5.036 4.340 -0.000 0.000 0.281 687 Q C -0.179 175.793 176.000 -0.047 0.000 1.099 687 Q CA -0.387 55.396 55.803 -0.033 0.000 0.806 687 Q CB 2.172 30.890 28.738 -0.034 0.000 1.419 687 Q HN 0.253 nan 8.270 nan 0.000 0.427 688 A N 0.347 123.140 122.820 -0.046 0.000 2.240 688 A HA 0.398 4.718 4.320 -0.000 0.000 0.292 688 A C 0.097 177.635 177.584 -0.077 0.000 1.121 688 A CA -0.437 51.566 52.037 -0.057 0.000 0.851 688 A CB 0.322 19.297 19.000 -0.042 0.000 1.167 688 A HN 0.862 nan 8.150 nan 0.000 0.503 689 C N -1.076 118.171 119.300 -0.089 0.000 2.634 689 C HA 0.357 4.817 4.460 -0.000 0.000 0.417 689 C C 2.224 177.166 174.990 -0.079 0.000 1.334 689 C CA 0.274 59.230 59.018 -0.103 0.000 1.829 689 C CB -1.261 26.415 27.740 -0.107 0.000 2.665 689 C HN 1.251 nan 8.230 nan 0.000 0.614 690 L N 4.366 125.541 121.223 -0.080 0.000 2.127 690 L HA 0.068 4.408 4.340 -0.000 0.000 0.211 690 L C 2.612 179.447 176.870 -0.058 0.000 1.089 690 L CA 2.799 57.602 54.840 -0.063 0.000 0.757 690 L CB -2.164 39.859 42.059 -0.060 0.000 0.899 690 L HN 1.078 nan 8.230 nan 0.000 0.434 691 K N -0.215 120.144 120.400 -0.068 0.000 2.487 691 K HA 0.153 4.473 4.320 -0.000 0.000 0.192 691 K C 1.904 178.467 176.600 -0.062 0.000 1.027 691 K CA 0.588 56.835 56.287 -0.067 0.000 1.054 691 K CB -0.445 32.005 32.500 -0.083 0.000 0.824 691 K HN 0.781 nan 8.250 nan 0.000 0.510 692 R N 0.272 120.737 120.500 -0.058 0.000 2.633 692 R HA 0.222 4.562 4.340 -0.000 0.000 0.348 692 R C -0.405 175.872 176.300 -0.038 0.000 1.100 692 R CA -0.499 55.572 56.100 -0.048 0.000 1.068 692 R CB 0.531 30.801 30.300 -0.049 0.000 1.351 692 R HN 0.054 nan 8.270 nan 0.000 0.575 693 R N 1.011 121.489 120.500 -0.036 0.000 2.272 693 R HA 0.070 4.410 4.340 -0.000 0.000 0.334 693 R C -0.377 175.908 176.300 -0.024 0.000 1.117 693 R CA -0.145 55.938 56.100 -0.028 0.000 0.966 693 R CB 0.269 30.553 30.300 -0.027 0.000 1.049 693 R HN 0.189 nan 8.270 nan 0.000 0.477 694 C N 7.145 126.432 119.300 -0.022 0.000 2.619 694 C HA 0.261 4.720 4.460 -0.000 0.000 0.389 694 C C -1.035 173.946 174.990 -0.015 0.000 1.314 694 C CA -1.804 57.202 59.018 -0.020 0.000 1.678 694 C CB 0.130 27.857 27.740 -0.021 0.000 2.398 694 C HN 0.723 nan 8.230 nan 0.000 0.582 695 P HA -0.092 nan 4.420 nan 0.000 0.216 695 P C 1.026 178.322 177.300 -0.006 0.000 1.150 695 P CA 1.477 64.572 63.100 -0.009 0.000 0.837 695 P CB -0.041 31.654 31.700 -0.009 0.000 0.786 696 N N -0.521 118.172 118.700 -0.012 0.000 2.571 696 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 696 N C 0.566 176.069 175.510 -0.013 0.000 1.154 696 N CA 0.084 53.126 53.050 -0.014 0.000 0.907 696 N CB -0.790 37.680 38.487 -0.028 0.000 0.977 696 N HN 0.216 nan 8.380 nan 0.000 0.449 697 L N 1.095 122.312 121.223 -0.010 0.000 2.771 697 L HA -0.011 4.329 4.340 -0.000 0.000 0.278 697 L C 0.130 176.998 176.870 -0.003 0.000 1.175 697 L CA 0.048 54.883 54.840 -0.009 0.000 0.973 697 L CB -0.202 41.855 42.059 -0.004 0.000 1.286 697 L HN 0.129 nan 8.230 nan 0.000 0.481 698 A N 3.152 125.961 122.820 -0.018 0.000 2.566 698 A HA 0.641 4.960 4.320 -0.000 0.000 0.290 698 A C -0.547 176.996 177.584 -0.068 0.000 1.071 698 A CA -0.238 51.782 52.037 -0.028 0.000 0.658 698 A CB 0.472 19.461 19.000 -0.018 0.000 1.285 698 A HN 0.952 nan 8.150 nan 0.000 0.427 699 V N 0.924 120.765 119.914 -0.122 0.000 2.452 699 V HA 0.363 4.483 4.120 -0.000 0.000 0.286 699 V C 0.579 176.592 176.094 -0.134 0.000 0.995 699 V CA 1.290 63.498 62.300 -0.152 0.000 1.116 699 V CB -0.765 30.901 31.823 -0.262 0.000 0.954 699 V HN 0.731 nan 8.190 nan 0.000 0.473 700 K N 3.968 124.312 120.400 -0.093 0.000 2.708 700 K HA 0.425 4.745 4.320 -0.000 0.000 0.219 700 K C 0.916 177.467 176.600 -0.081 0.000 1.068 700 K CA 0.787 57.027 56.287 -0.078 0.000 1.212 700 K CB -0.171 32.297 32.500 -0.054 0.000 0.978 700 K HN 0.872 nan 8.250 nan 0.000 0.475 701 E N 1.313 121.448 120.200 -0.107 0.000 2.888 701 E HA 0.330 4.680 4.350 -0.000 0.000 0.271 701 E C 0.078 176.617 176.600 -0.101 0.000 1.527 701 E CA 0.409 56.746 56.400 -0.104 0.000 1.700 701 E CB -0.617 29.008 29.700 -0.125 0.000 1.410 701 E HN 0.503 nan 8.360 nan 0.000 0.445 702 A N -0.684 122.088 122.820 -0.080 0.000 2.515 702 A HA 0.847 5.167 4.320 -0.000 0.000 0.296 702 A C -0.505 177.056 177.584 -0.038 0.000 1.094 702 A CA 0.086 52.086 52.037 -0.062 0.000 0.718 702 A CB 1.486 20.450 19.000 -0.060 0.000 1.307 702 A HN 0.670 nan 8.150 nan 0.000 0.408 703 D N 0.029 120.418 120.400 -0.018 0.000 2.736 703 D HA 0.580 5.220 4.640 -0.000 0.000 0.243 703 D C -0.319 176.000 176.300 0.032 0.000 1.304 703 D CA 0.255 54.258 54.000 0.005 0.000 0.934 703 D CB 0.872 41.672 40.800 -0.000 0.000 1.382 703 D HN 1.211 nan 8.370 nan 0.000 0.571 704 D N -0.444 119.977 120.400 0.035 0.000 2.390 704 D HA 0.485 5.125 4.640 -0.000 0.000 0.236 704 D C 0.297 176.634 176.300 0.062 0.000 1.189 704 D CA 0.704 54.733 54.000 0.047 0.000 0.887 704 D CB 0.435 41.266 40.800 0.051 0.000 1.198 704 D HN 0.996 nan 8.370 nan 0.000 0.444 705 D N -0.614 119.822 120.400 0.061 0.000 2.391 705 D HA 0.624 5.264 4.640 -0.000 0.000 0.245 705 D C 0.230 176.564 176.300 0.056 0.000 1.069 705 D CA 0.251 54.288 54.000 0.062 0.000 0.831 705 D CB 0.731 41.559 40.800 0.046 0.000 1.204 705 D HN 0.984 nan 8.370 nan 0.000 0.503 706 E N -0.295 119.938 120.200 0.054 0.000 2.314 706 E HA 0.601 4.951 4.350 -0.000 0.000 0.262 706 E C 0.627 177.252 176.600 0.040 0.000 1.093 706 E CA 0.035 56.463 56.400 0.046 0.000 0.908 706 E CB 0.228 29.952 29.700 0.039 0.000 1.091 706 E HN 1.136 nan 8.360 nan 0.000 0.425 707 E N 0.108 120.331 120.200 0.038 0.000 2.148 707 E HA 0.482 4.831 4.350 -0.000 0.000 0.308 707 E C 1.144 177.759 176.600 0.026 0.000 1.278 707 E CA 0.398 56.819 56.400 0.035 0.000 1.368 707 E CB -0.567 29.156 29.700 0.038 0.000 1.229 707 E HN 1.022 nan 8.360 nan 0.000 0.494 708 A N 1.614 124.449 122.820 0.025 0.000 1.969 708 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 708 A C 1.224 178.819 177.584 0.019 0.000 1.169 708 A CA 0.799 52.848 52.037 0.020 0.000 0.635 708 A CB -0.181 18.833 19.000 0.023 0.000 0.810 708 A HN 0.705 nan 8.150 nan 0.000 0.445 709 D N 0.698 121.112 120.400 0.024 0.000 2.458 709 D HA 0.107 4.747 4.640 -0.000 0.000 0.243 709 D C -0.141 176.173 176.300 0.022 0.000 1.146 709 D CA -0.226 53.790 54.000 0.027 0.000 0.877 709 D CB 0.625 41.447 40.800 0.037 0.000 1.176 709 D HN 0.257 nan 8.370 nan 0.000 0.461 710 D N 0.651 121.063 120.400 0.019 0.000 2.325 710 D HA 0.076 4.716 4.640 -0.000 0.000 0.262 710 D C 1.614 177.922 176.300 0.014 0.000 1.263 710 D CA 0.700 54.707 54.000 0.012 0.000 1.020 710 D CB 0.029 40.834 40.800 0.009 0.000 1.117 710 D HN 0.465 nan 8.370 nan 0.000 0.545 711 D N -1.159 119.246 120.400 0.008 0.000 2.221 711 D HA -0.001 4.639 4.640 -0.000 0.000 0.204 711 D C 1.851 178.157 176.300 0.010 0.000 0.982 711 D CA 2.514 56.519 54.000 0.007 0.000 0.857 711 D CB -1.097 39.704 40.800 0.002 0.000 0.934 711 D HN 1.253 nan 8.370 nan 0.000 0.475 712 V N -2.073 117.848 119.914 0.011 0.000 4.253 712 V HA -0.013 4.106 4.120 -0.000 0.000 0.233 712 V C 1.431 177.526 176.094 0.002 0.000 0.511 712 V CA 2.156 64.463 62.300 0.011 0.000 0.872 712 V CB -2.783 29.053 31.823 0.021 0.000 0.899 712 V HN 1.362 nan 8.190 nan 0.000 1.196 713 S N 0.866 116.565 115.700 -0.001 0.000 4.051 713 S HA 0.526 4.996 4.470 -0.000 0.000 0.215 713 S C 0.454 175.047 174.600 -0.011 0.000 1.289 713 S CA 0.619 58.815 58.200 -0.006 0.000 0.907 713 S CB -0.333 62.863 63.200 -0.006 0.000 1.603 713 S HN 1.743 nan 8.310 nan 0.000 0.453 714 E N -1.562 118.629 120.200 -0.015 0.000 2.429 714 E HA 0.769 5.119 4.350 -0.000 0.000 0.276 714 E C -0.239 176.341 176.600 -0.034 0.000 0.953 714 E CA -1.223 55.163 56.400 -0.023 0.000 0.787 714 E CB 0.850 30.537 29.700 -0.021 0.000 1.307 714 E HN 0.325 nan 8.360 nan 0.000 0.458 715 M N 1.018 120.593 119.600 -0.042 0.000 2.243 715 M HA 0.391 4.871 4.480 -0.000 0.000 0.341 715 M C -2.210 174.046 176.300 -0.074 0.000 1.130 715 M CA -1.185 54.083 55.300 -0.053 0.000 1.162 715 M CB -1.115 31.453 32.600 -0.052 0.000 1.497 715 M HN 0.506 nan 8.290 nan 0.000 0.456 716 P HA 0.410 nan 4.420 nan 0.000 0.268 716 P C 0.249 177.467 177.300 -0.137 0.000 1.208 716 P CA 0.441 63.470 63.100 -0.119 0.000 0.777 716 P CB 0.251 31.883 31.700 -0.114 0.000 0.875 717 S N 2.845 118.432 115.700 -0.188 0.000 2.546 717 S HA 0.244 4.714 4.470 -0.000 0.000 0.290 717 S C -1.800 172.712 174.600 -0.147 0.000 1.262 717 S CA -0.685 57.402 58.200 -0.189 0.000 1.083 717 S CB -1.260 61.780 63.200 -0.267 0.000 0.859 717 S HN 0.262 nan 8.310 nan 0.000 0.495 718 P HA 0.209 nan 4.420 nan 0.000 0.272 718 P C -0.453 176.781 177.300 -0.109 0.000 1.230 718 P CA -0.590 62.449 63.100 -0.101 0.000 0.788 718 P CB 0.450 32.100 31.700 -0.083 0.000 0.949 719 K N 1.648 121.983 120.400 -0.109 0.000 2.451 719 K HA 0.091 4.411 4.320 -0.000 0.000 0.280 719 K C 1.494 178.007 176.600 -0.145 0.000 1.020 719 K CA 0.258 56.472 56.287 -0.122 0.000 1.008 719 K CB 0.095 32.524 32.500 -0.118 0.000 0.917 719 K HN 0.446 nan 8.250 nan 0.000 0.478 720 K N 3.017 123.327 120.400 -0.150 0.000 1.973 720 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 720 K C 2.002 178.431 176.600 -0.285 0.000 1.047 720 K CA 1.920 58.112 56.287 -0.158 0.000 0.937 720 K CB -0.880 31.556 32.500 -0.106 0.000 0.721 720 K HN 0.470 nan 8.250 nan 0.000 0.440 721 L N 0.009 120.927 121.223 -0.510 0.000 2.558 721 L HA 0.175 4.515 4.340 -0.000 0.000 0.225 721 L C 2.192 178.597 176.870 -0.775 0.000 1.128 721 L CA 0.948 55.194 54.840 -0.990 0.000 0.868 721 L CB -0.874 40.072 42.059 -1.856 0.000 1.006 721 L HN 0.632 nan 8.230 nan 0.000 0.454 722 H N 0.344 119.154 119.070 -0.433 0.000 3.001 722 H HA 0.361 4.917 4.556 -0.000 0.000 0.248 722 H C 0.821 176.043 175.328 -0.176 0.000 1.663 722 H CA -0.036 55.861 56.048 -0.253 0.000 1.258 722 H CB -1.003 28.666 29.762 -0.154 0.000 1.547 722 H HN 0.607 nan 8.280 nan 0.000 0.557 723 Q N 0.537 120.227 119.800 -0.184 0.000 2.179 723 Q HA 0.347 4.687 4.340 -0.000 0.000 0.213 723 Q C 1.520 177.485 176.000 -0.058 0.000 0.833 723 Q CA -0.220 55.527 55.803 -0.093 0.000 0.990 723 Q CB 0.794 29.497 28.738 -0.057 0.000 1.132 723 Q HN 0.751 nan 8.270 nan 0.000 0.493 724 G N 2.468 111.221 108.800 -0.079 0.000 2.602 724 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.317 724 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.317 724 G C 0.253 175.153 174.900 -0.001 0.000 1.327 724 G CA 1.212 46.285 45.100 -0.045 0.000 0.971 724 G HN 1.038 nan 8.290 nan 0.000 0.540 725 K N -1.206 119.201 120.400 0.012 0.000 5.349 725 K HA -0.007 4.313 4.320 -0.000 0.000 0.360 725 K C 0.013 176.661 176.600 0.081 0.000 0.960 725 K CA 2.825 59.137 56.287 0.042 0.000 1.134 725 K CB -2.076 30.444 32.500 0.033 0.000 1.782 725 K HN 1.338 nan 8.250 nan 0.000 0.408 726 K N 0.863 121.314 120.400 0.084 0.000 2.545 726 K HA 0.306 4.626 4.320 -0.000 0.000 0.252 726 K C -0.150 176.584 176.600 0.224 0.000 0.948 726 K CA -0.883 55.488 56.287 0.139 0.000 0.827 726 K CB 2.041 34.595 32.500 0.090 0.000 1.128 726 K HN 0.494 nan 8.250 nan 0.000 0.429 727 K N 3.936 124.449 120.400 0.188 0.000 2.402 727 K HA -0.056 4.264 4.320 -0.000 0.000 0.279 727 K C -0.425 176.346 176.600 0.286 0.000 1.082 727 K CA 0.270 56.672 56.287 0.192 0.000 1.080 727 K CB 0.389 32.957 32.500 0.113 0.000 0.899 727 K HN 0.446 nan 8.250 nan 0.000 0.469 728 K N 4.145 124.702 120.400 0.260 0.000 2.322 728 K HA 0.012 4.332 4.320 -0.000 0.000 0.283 728 K C -0.122 176.470 176.600 -0.013 0.000 1.042 728 K CA -0.474 55.830 56.287 0.029 0.000 0.958 728 K CB 0.754 33.081 32.500 -0.287 0.000 0.984 728 K HN 0.540 nan 8.250 nan 0.000 0.473 729 Q N 1.798 121.577 119.800 -0.036 0.000 2.237 729 Q HA 0.218 4.558 4.340 -0.000 0.000 0.219 729 Q C -0.563 175.386 176.000 -0.084 0.000 0.999 729 Q CA -0.460 55.323 55.803 -0.033 0.000 0.959 729 Q CB 0.753 29.480 28.738 -0.018 0.000 1.173 729 Q HN 0.559 nan 8.270 nan 0.000 0.527 730 N N 0.675 119.333 118.700 -0.070 0.000 2.476 730 N HA 0.326 5.066 4.740 -0.000 0.000 0.257 730 N C -0.720 174.740 175.510 -0.082 0.000 0.970 730 N CA -0.181 52.822 53.050 -0.078 0.000 0.938 730 N CB 1.241 39.692 38.487 -0.060 0.000 1.144 730 N HN 0.442 nan 8.380 nan 0.000 0.500 731 K N -0.456 119.888 120.400 -0.094 0.000 2.244 731 K HA 0.573 4.893 4.320 -0.000 0.000 0.260 731 K C 0.734 177.279 176.600 -0.091 0.000 0.951 731 K CA -0.108 56.123 56.287 -0.095 0.000 0.826 731 K CB -0.014 32.422 32.500 -0.107 0.000 1.108 731 K HN 0.545 nan 8.250 nan 0.000 0.433 732 D N 0.620 120.971 120.400 -0.082 0.000 2.091 732 D HA 0.228 4.868 4.640 -0.000 0.000 0.199 732 D C 1.132 177.382 176.300 -0.084 0.000 0.980 732 D CA 1.934 55.889 54.000 -0.074 0.000 0.831 732 D CB -0.118 40.645 40.800 -0.062 0.000 0.987 732 D HN 1.046 nan 8.370 nan 0.000 0.460 733 R N -0.235 120.208 120.500 -0.095 0.000 2.532 733 R HA 0.709 5.049 4.340 -0.000 0.000 0.297 733 R C -1.133 175.079 176.300 -0.146 0.000 0.984 733 R CA -0.539 55.495 56.100 -0.110 0.000 0.884 733 R CB 0.761 31.007 30.300 -0.090 0.000 1.182 733 R HN 0.469 nan 8.270 nan 0.000 0.442 734 I N 2.177 122.631 120.570 -0.194 0.000 2.623 734 I HA 0.446 4.616 4.170 -0.000 0.000 0.275 734 I C 0.283 176.164 176.117 -0.394 0.000 1.108 734 I CA -0.631 60.500 61.300 -0.282 0.000 1.120 734 I CB 1.209 39.024 38.000 -0.308 0.000 1.249 734 I HN 0.868 nan 8.210 nan 0.000 0.500 735 S N 4.599 120.095 115.700 -0.339 0.000 2.475 735 S HA 0.635 5.105 4.470 -0.000 0.000 0.298 735 S C -0.498 173.882 174.600 -0.367 0.000 1.119 735 S CA -0.627 57.370 58.200 -0.338 0.000 1.085 735 S CB 0.706 63.810 63.200 -0.160 0.000 1.028 735 S HN 0.448 nan 8.310 nan 0.000 0.489 736 W N 0.927 122.085 121.300 -0.236 0.000 1.979 736 W HA 0.555 5.215 4.660 -0.000 0.000 0.359 736 W C -0.031 176.383 176.519 -0.175 0.000 1.354 736 W CA -0.329 56.809 57.345 -0.345 0.000 1.359 736 W CB 0.385 29.358 29.460 -0.812 0.000 1.248 736 W HN 0.470 nan 8.180 nan 0.000 0.641 737 L N 1.319 122.670 121.223 0.213 0.000 2.464 737 L HA 0.627 4.967 4.340 -0.000 0.000 0.266 737 L C 0.499 177.475 176.870 0.178 0.000 0.965 737 L CA -0.271 54.660 54.840 0.151 0.000 0.833 737 L CB 1.617 43.746 42.059 0.118 0.000 1.296 737 L HN 0.783 nan 8.230 nan 0.000 0.405 738 G N 2.255 111.140 108.800 0.142 0.000 2.750 738 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.228 738 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.228 738 G C -0.835 174.169 174.900 0.174 0.000 1.367 738 G CA -0.700 44.482 45.100 0.136 0.000 0.871 738 G HN 0.475 nan 8.290 nan 0.000 0.560 739 Q N 0.316 120.197 119.800 0.135 0.000 2.260 739 Q HA 0.472 4.812 4.340 -0.000 0.000 0.238 739 Q C -1.923 174.137 176.000 0.099 0.000 0.948 739 Q CA -1.312 54.562 55.803 0.119 0.000 0.895 739 Q CB 0.578 29.350 28.738 0.057 0.000 1.218 739 Q HN 0.398 nan 8.270 nan 0.000 0.470 740 P HA 0.045 nan 4.420 nan 0.000 0.265 740 P C 0.567 177.756 177.300 -0.184 0.000 1.193 740 P CA 0.391 63.286 63.100 -0.341 0.000 0.765 740 P CB 0.540 31.941 31.700 -0.498 0.000 0.823 741 M N 1.372 120.875 119.600 -0.163 0.000 2.077 741 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 741 M C 0.982 177.192 176.300 -0.149 0.000 1.070 741 M CA 1.783 57.032 55.300 -0.086 0.000 1.125 741 M CB -0.236 32.359 32.600 -0.009 0.000 1.339 741 M HN 0.304 nan 8.290 nan 0.000 0.409 742 K N 0.027 120.302 120.400 -0.208 0.000 2.527 742 K HA 0.550 4.870 4.320 -0.000 0.000 0.260 742 K C -1.877 174.593 176.600 -0.217 0.000 0.937 742 K CA -0.460 55.670 56.287 -0.261 0.000 0.826 742 K CB 2.128 34.308 32.500 -0.534 0.000 1.359 742 K HN 0.063 nan 8.250 nan 0.000 0.434 743 I N 3.202 123.660 120.570 -0.185 0.000 2.389 743 I HA 0.283 4.453 4.170 -0.000 0.000 0.288 743 I C -0.217 175.837 176.117 -0.106 0.000 0.999 743 I CA -0.576 60.632 61.300 -0.154 0.000 1.129 743 I CB 1.835 39.756 38.000 -0.133 0.000 1.288 743 I HN 0.636 nan 8.210 nan 0.000 0.444 744 E N 3.396 123.544 120.200 -0.087 0.000 2.284 744 E HA 0.334 4.684 4.350 -0.000 0.000 0.255 744 E C 1.066 177.636 176.600 -0.049 0.000 1.052 744 E CA -0.159 56.215 56.400 -0.044 0.000 0.904 744 E CB 0.818 30.525 29.700 0.012 0.000 1.217 744 E HN 0.651 nan 8.360 nan 0.000 0.438 745 E N 1.018 121.200 120.200 -0.030 0.000 2.097 745 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 745 E C 1.072 177.657 176.600 -0.026 0.000 1.000 745 E CA 1.923 58.308 56.400 -0.024 0.000 0.804 745 E CB -0.566 29.125 29.700 -0.015 0.000 0.740 745 E HN 0.417 nan 8.360 nan 0.000 0.454 746 N N -0.349 118.330 118.700 -0.034 0.000 2.171 746 N HA 0.124 4.864 4.740 -0.000 0.000 0.212 746 N C 0.414 175.904 175.510 -0.033 0.000 1.184 746 N CA 0.469 53.505 53.050 -0.023 0.000 0.888 746 N CB 0.955 39.434 38.487 -0.013 0.000 1.038 746 N HN 0.618 nan 8.380 nan 0.000 0.517 747 R N -1.237 119.207 120.500 -0.094 0.000 2.752 747 R HA 0.397 4.737 4.340 -0.000 0.000 0.277 747 R C -1.624 174.521 176.300 -0.259 0.000 1.024 747 R CA -0.708 55.311 56.100 -0.135 0.000 0.866 747 R CB 1.002 31.174 30.300 -0.214 0.000 1.278 747 R HN -0.190 nan 8.270 nan 0.000 0.473 748 T N 0.907 115.298 114.554 -0.273 0.000 2.890 748 T HA 0.499 4.849 4.350 -0.000 0.000 0.295 748 T C -1.672 172.735 174.700 -0.488 0.000 0.993 748 T CA -0.455 61.427 62.100 -0.363 0.000 0.979 748 T CB 0.484 69.180 68.868 -0.285 0.000 0.967 748 T HN 0.387 nan 8.240 nan 0.000 0.441 749 Y N 4.282 124.395 120.300 -0.312 0.000 2.320 749 Y HA 0.572 5.122 4.550 -0.000 0.000 0.334 749 Y C -0.054 175.551 175.900 -0.491 0.000 1.055 749 Y CA -0.508 57.474 58.100 -0.196 0.000 1.143 749 Y CB 0.752 39.209 38.460 -0.004 0.000 1.193 749 Y HN 0.610 nan 8.280 nan 0.000 0.477 750 Y N 0.047 120.302 120.300 -0.077 0.000 2.699 750 Y HA 0.293 4.842 4.550 -0.000 0.000 0.326 750 Y C 1.250 177.206 175.900 0.093 0.000 1.141 750 Y CA -0.809 57.214 58.100 -0.128 0.000 1.246 750 Y CB 1.282 39.471 38.460 -0.452 0.000 1.426 750 Y HN 0.543 nan 8.280 nan 0.000 0.559 751 Q N -0.038 119.945 119.800 0.305 0.000 2.404 751 Q HA 0.289 4.629 4.340 -0.000 0.000 0.262 751 Q C -0.802 175.350 176.000 0.253 0.000 0.846 751 Q CA 0.296 56.245 55.803 0.244 0.000 0.978 751 Q CB 0.760 29.600 28.738 0.171 0.000 1.156 751 Q HN 0.567 nan 8.270 nan 0.000 0.548 752 K N 0.740 121.308 120.400 0.280 0.000 2.316 752 K HA 0.590 4.910 4.320 -0.000 0.000 0.251 752 K C -1.712 175.066 176.600 0.296 0.000 0.934 752 K CA -0.631 55.795 56.287 0.231 0.000 0.802 752 K CB 3.101 35.699 32.500 0.164 0.000 1.171 752 K HN -0.038 nan 8.250 nan 0.000 0.426 753 V N 1.408 121.435 119.914 0.187 0.000 2.888 753 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 753 V C -1.429 174.645 176.094 -0.033 0.000 1.114 753 V CA -0.468 61.874 62.300 0.070 0.000 0.940 753 V CB 2.294 34.102 31.823 -0.025 0.000 1.021 753 V HN 0.928 nan 8.190 nan 0.000 0.426 754 S N 6.942 122.586 115.700 -0.093 0.000 2.449 754 S HA 0.754 5.224 4.470 -0.000 0.000 0.310 754 S C -0.803 173.719 174.600 -0.130 0.000 1.096 754 S CA -0.617 57.531 58.200 -0.086 0.000 1.095 754 S CB 1.182 64.348 63.200 -0.057 0.000 1.007 754 S HN 0.625 nan 8.310 nan 0.000 0.474 755 I N 2.383 122.888 120.570 -0.109 0.000 2.420 755 I HA 0.301 4.471 4.170 -0.000 0.000 0.282 755 I C -0.803 175.259 176.117 -0.092 0.000 1.019 755 I CA -0.417 60.812 61.300 -0.119 0.000 1.130 755 I CB 1.150 39.079 38.000 -0.118 0.000 1.262 755 I HN 0.649 nan 8.210 nan 0.000 0.454 756 D N 5.507 125.853 120.400 -0.092 0.000 2.705 756 D HA -0.196 4.444 4.640 -0.000 0.000 0.240 756 D C 0.921 177.186 176.300 -0.059 0.000 1.137 756 D CA 1.793 55.748 54.000 -0.074 0.000 0.677 756 D CB -0.725 40.029 40.800 -0.076 0.000 1.049 756 D HN 0.960 nan 8.370 nan 0.000 0.427 757 E N -2.494 117.673 120.200 -0.056 0.000 3.916 757 E HA -0.307 4.043 4.350 -0.000 0.000 0.331 757 E C 0.071 176.650 176.600 -0.034 0.000 0.729 757 E CA 1.823 58.199 56.400 -0.040 0.000 1.222 757 E CB -1.543 28.137 29.700 -0.032 0.000 1.633 757 E HN 0.474 nan 8.360 nan 0.000 0.437 758 E N -0.135 120.039 120.200 -0.043 0.000 2.151 758 E HA 0.596 4.946 4.350 -0.000 0.000 0.275 758 E C 0.269 176.849 176.600 -0.033 0.000 0.936 758 E CA -0.779 55.601 56.400 -0.034 0.000 0.777 758 E CB 1.374 31.051 29.700 -0.039 0.000 1.108 758 E HN 0.560 nan 8.360 nan 0.000 0.401 759 M N 3.496 123.087 119.600 -0.014 0.000 2.233 759 M HA 0.506 4.986 4.480 -0.000 0.000 0.355 759 M C -1.054 175.247 176.300 0.002 0.000 1.191 759 M CA -0.366 54.932 55.300 -0.003 0.000 1.101 759 M CB 0.669 33.277 32.600 0.013 0.000 1.592 759 M HN 0.518 nan 8.290 nan 0.000 0.461 760 L N 3.219 124.445 121.223 0.004 0.000 2.309 760 L HA 0.917 5.257 4.340 -0.000 0.000 0.261 760 L C -0.909 175.991 176.870 0.050 0.000 1.021 760 L CA -0.735 54.109 54.840 0.007 0.000 0.823 760 L CB 1.726 43.759 42.059 -0.043 0.000 1.366 760 L HN 0.871 nan 8.230 nan 0.000 0.423 761 E N -0.162 120.072 120.200 0.057 0.000 2.413 761 E HA 0.621 4.971 4.350 -0.000 0.000 0.277 761 E C -1.045 175.614 176.600 0.099 0.000 0.958 761 E CA -0.462 55.995 56.400 0.097 0.000 0.779 761 E CB 2.440 32.194 29.700 0.090 0.000 1.278 761 E HN 1.626 nan 8.360 nan 0.000 0.456 762 V N 1.085 121.081 119.914 0.136 0.000 2.599 762 V HA 0.532 4.652 4.120 -0.000 0.000 0.300 762 V C 0.824 176.988 176.094 0.117 0.000 1.034 762 V CA 1.254 63.639 62.300 0.141 0.000 1.115 762 V CB 0.170 32.094 31.823 0.168 0.000 0.934 762 V HN 1.024 nan 8.190 nan 0.000 0.485 763 G N 3.091 111.957 108.800 0.110 0.000 2.284 763 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 763 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 763 G C 0.063 175.022 174.900 0.099 0.000 1.009 763 G CA 0.153 45.319 45.100 0.110 0.000 0.625 763 G HN 0.887 nan 8.290 nan 0.000 0.501 764 D N 0.371 120.817 120.400 0.077 0.000 2.390 764 D HA 0.452 5.092 4.640 -0.000 0.000 0.236 764 D C 0.390 176.723 176.300 0.055 0.000 1.189 764 D CA 0.387 54.425 54.000 0.063 0.000 0.887 764 D CB 0.917 41.736 40.800 0.033 0.000 1.198 764 D HN 0.313 nan 8.370 nan 0.000 0.444 765 C N 1.248 120.589 119.300 0.069 0.000 2.379 765 C HA 0.788 5.248 4.460 -0.000 0.000 0.323 765 C C 0.577 175.592 174.990 0.041 0.000 1.262 765 C CA -0.655 58.412 59.018 0.082 0.000 1.581 765 C CB 0.391 28.216 27.740 0.141 0.000 2.221 765 C HN 0.493 nan 8.230 nan 0.000 0.497 766 V N 3.062 122.989 119.914 0.023 0.000 2.864 766 V HA 0.892 5.012 4.120 -0.000 0.000 0.314 766 V C 0.156 176.300 176.094 0.084 0.000 1.073 766 V CA -0.512 61.801 62.300 0.022 0.000 0.956 766 V CB 1.980 33.761 31.823 -0.070 0.000 1.023 766 V HN 0.886 nan 8.190 nan 0.000 0.435 767 S N 2.010 117.775 115.700 0.108 0.000 2.654 767 S HA 0.935 5.405 4.470 -0.000 0.000 0.283 767 S C -0.610 174.114 174.600 0.206 0.000 1.180 767 S CA -0.608 57.669 58.200 0.128 0.000 1.021 767 S CB 1.768 64.994 63.200 0.043 0.000 1.018 767 S HN 1.451 nan 8.310 nan 0.000 0.532 768 V N 1.369 121.428 119.914 0.241 0.000 3.114 768 V HA 0.490 4.610 4.120 -0.000 0.000 0.308 768 V C -1.085 175.101 176.094 0.153 0.000 1.168 768 V CA -0.970 61.514 62.300 0.307 0.000 1.015 768 V CB 2.091 34.220 31.823 0.510 0.000 1.050 768 V HN 0.891 nan 8.190 nan 0.000 0.433 769 I N 2.996 123.651 120.570 0.141 0.000 2.354 769 I HA 0.494 4.664 4.170 -0.000 0.000 0.292 769 I C -2.667 173.413 176.117 -0.062 0.000 0.989 769 I CA -2.728 58.569 61.300 -0.006 0.000 1.188 769 I CB 1.153 39.190 38.000 0.063 0.000 1.342 769 I HN 0.343 nan 8.210 nan 0.000 0.457 770 P HA 0.236 nan 4.420 nan 0.000 0.277 770 P C 0.362 177.600 177.300 -0.103 0.000 1.240 770 P CA -0.210 62.697 63.100 -0.323 0.000 0.798 770 P CB 1.333 32.635 31.700 -0.665 0.000 0.979 771 D N 0.463 120.850 120.400 -0.023 0.000 2.137 771 D HA -0.189 4.451 4.640 -0.000 0.000 0.189 771 D C 0.408 176.694 176.300 -0.023 0.000 0.998 771 D CA 1.485 55.486 54.000 0.002 0.000 0.839 771 D CB -0.425 40.386 40.800 0.019 0.000 0.962 771 D HN 0.423 nan 8.370 nan 0.000 0.446 772 D N -1.328 119.049 120.400 -0.039 0.000 2.455 772 D HA 0.077 4.717 4.640 -0.000 0.000 0.241 772 D C 0.941 177.204 176.300 -0.061 0.000 1.138 772 D CA 0.791 54.766 54.000 -0.042 0.000 0.877 772 D CB 1.337 42.114 40.800 -0.038 0.000 1.187 772 D HN 0.248 nan 8.370 nan 0.000 0.451 773 S N 2.780 118.455 115.700 -0.042 0.000 2.414 773 S HA -0.038 4.432 4.470 -0.000 0.000 0.227 773 S C 2.110 176.681 174.600 -0.047 0.000 1.022 773 S CA 1.520 59.694 58.200 -0.043 0.000 0.958 773 S CB -0.422 62.764 63.200 -0.024 0.000 0.797 773 S HN 0.666 nan 8.310 nan 0.000 0.493 774 S N 1.458 117.134 115.700 -0.039 0.000 2.353 774 S HA -0.041 4.429 4.470 -0.000 0.000 0.222 774 S C 1.230 175.802 174.600 -0.047 0.000 1.035 774 S CA 1.134 59.314 58.200 -0.034 0.000 1.025 774 S CB -0.418 62.768 63.200 -0.023 0.000 0.902 774 S HN 0.592 nan 8.310 nan 0.000 0.440 775 K N 2.241 122.602 120.400 -0.066 0.000 2.550 775 K HA 0.138 4.458 4.320 -0.000 0.000 0.280 775 K C -2.560 173.971 176.600 -0.115 0.000 0.987 775 K CA -0.967 55.267 56.287 -0.088 0.000 1.048 775 K CB 0.061 32.482 32.500 -0.133 0.000 0.879 775 K HN 0.227 nan 8.250 nan 0.000 0.491 776 P HA 0.032 nan 4.420 nan 0.000 0.275 776 P C -0.584 176.641 177.300 -0.126 0.000 1.227 776 P CA -0.632 62.431 63.100 -0.062 0.000 0.781 776 P CB 0.418 32.120 31.700 0.003 0.000 0.906 777 L N 3.143 124.298 121.223 -0.113 0.000 2.628 777 L HA -0.113 4.227 4.340 -0.000 0.000 0.292 777 L C 0.349 177.198 176.870 -0.034 0.000 1.250 777 L CA 0.936 55.693 54.840 -0.139 0.000 0.892 777 L CB -0.840 41.165 42.059 -0.090 0.000 1.138 777 L HN 0.278 nan 8.230 nan 0.000 0.502 778 Y N 4.291 124.609 120.300 0.031 0.000 2.397 778 Y HA 0.408 4.958 4.550 -0.000 0.000 0.335 778 Y C 0.161 176.161 175.900 0.166 0.000 1.213 778 Y CA -0.526 57.630 58.100 0.094 0.000 1.391 778 Y CB 0.361 38.916 38.460 0.158 0.000 1.293 778 Y HN 0.306 nan 8.280 nan 0.000 0.557 779 L N 1.866 123.329 121.223 0.400 0.000 2.422 779 L HA 0.870 5.210 4.340 -0.000 0.000 0.264 779 L C -0.467 176.656 176.870 0.422 0.000 0.984 779 L CA -0.554 54.445 54.840 0.266 0.000 0.819 779 L CB 2.138 44.170 42.059 -0.044 0.000 1.330 779 L HN 0.740 nan 8.230 nan 0.000 0.410 780 A N 2.126 125.115 122.820 0.282 0.000 2.602 780 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 780 A C -1.506 176.077 177.584 -0.002 0.000 1.114 780 A CA -0.728 51.337 52.037 0.047 0.000 0.683 780 A CB 1.894 20.736 19.000 -0.263 0.000 1.281 780 A HN 0.641 nan 8.150 nan 0.000 0.416 781 R N 0.724 121.099 120.500 -0.208 0.000 2.393 781 R HA 0.595 4.935 4.340 -0.000 0.000 0.310 781 R C -1.408 174.876 176.300 -0.026 0.000 0.968 781 R CA -0.416 55.626 56.100 -0.096 0.000 0.867 781 R CB 1.270 31.451 30.300 -0.198 0.000 1.124 781 R HN 0.503 nan 8.270 nan 0.000 0.450 782 V N 4.703 124.626 119.914 0.015 0.000 2.439 782 V HA 0.032 4.152 4.120 -0.000 0.000 0.271 782 V C 1.448 177.642 176.094 0.168 0.000 1.040 782 V CA 0.368 62.721 62.300 0.089 0.000 1.002 782 V CB 0.877 32.678 31.823 -0.037 0.000 1.000 782 V HN 1.044 nan 8.190 nan 0.000 0.477 783 T N 1.296 116.004 114.554 0.256 0.000 3.022 783 T HA 0.583 4.933 4.350 -0.000 0.000 0.250 783 T C 0.401 175.239 174.700 0.231 0.000 1.060 783 T CA 0.506 62.741 62.100 0.225 0.000 1.013 783 T CB 0.420 69.421 68.868 0.221 0.000 0.982 783 T HN 1.039 nan 8.240 nan 0.000 0.508 784 A N 0.394 123.439 122.820 0.375 0.000 2.608 784 A HA 0.710 5.030 4.320 -0.000 0.000 0.292 784 A C -1.884 176.119 177.584 0.698 0.000 1.066 784 A CA -0.953 51.343 52.037 0.432 0.000 0.676 784 A CB 0.928 20.097 19.000 0.282 0.000 1.277 784 A HN 0.343 nan 8.150 nan 0.000 0.413 785 L N 0.459 122.121 121.223 0.732 0.000 2.370 785 L HA 0.901 5.241 4.340 -0.000 0.000 0.266 785 L C -0.872 176.532 176.870 0.891 0.000 1.002 785 L CA -0.430 54.878 54.840 0.781 0.000 0.818 785 L CB 2.091 44.538 42.059 0.647 0.000 1.325 785 L HN 1.068 nan 8.230 nan 0.000 0.418 786 W N 1.600 123.154 121.300 0.423 0.000 3.319 786 W HA 0.496 5.156 4.660 -0.000 0.000 0.300 786 W C -1.846 174.875 176.519 0.336 0.000 1.244 786 W CA -0.726 56.669 57.345 0.083 0.000 1.193 786 W CB 0.731 30.002 29.460 -0.315 0.000 1.359 786 W HN 0.445 nan 8.180 nan 0.000 0.568 787 E N 2.339 122.731 120.200 0.320 0.000 2.191 787 E HA 0.223 4.573 4.350 -0.000 0.000 0.278 787 E C -0.859 175.900 176.600 0.264 0.000 0.972 787 E CA -0.529 56.079 56.400 0.346 0.000 0.804 787 E CB 1.350 31.371 29.700 0.535 0.000 1.110 787 E HN 0.417 nan 8.360 nan 0.000 0.394 788 D N 2.208 122.728 120.400 0.201 0.000 2.478 788 D HA 0.148 4.788 4.640 -0.000 0.000 0.263 788 D C 0.745 177.128 176.300 0.138 0.000 1.153 788 D CA -0.204 53.932 54.000 0.227 0.000 1.038 788 D CB 1.144 42.089 40.800 0.241 0.000 1.120 788 D HN 0.394 nan 8.370 nan 0.000 0.564 789 K N -0.174 120.292 120.400 0.110 0.000 2.032 789 K HA -0.189 4.130 4.320 -0.000 0.000 0.209 789 K C 1.240 177.882 176.600 0.069 0.000 1.048 789 K CA 1.548 57.880 56.287 0.074 0.000 0.927 789 K CB -0.311 32.224 32.500 0.059 0.000 0.712 789 K HN 0.371 nan 8.250 nan 0.000 0.441 790 N N 0.263 119.006 118.700 0.072 0.000 2.567 790 N HA -0.013 4.727 4.740 -0.000 0.000 0.195 790 N C 0.862 176.404 175.510 0.054 0.000 1.242 790 N CA 0.928 54.012 53.050 0.057 0.000 0.884 790 N CB -0.100 38.420 38.487 0.054 0.000 1.007 790 N HN 0.337 nan 8.380 nan 0.000 0.450 791 G N -0.962 107.880 108.800 0.070 0.000 2.155 791 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 791 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 791 G C -0.268 174.668 174.900 0.059 0.000 0.983 791 G CA 0.325 45.469 45.100 0.073 0.000 0.676 791 G HN 0.596 nan 8.290 nan 0.000 0.528 792 Q N -0.470 119.360 119.800 0.050 0.000 2.288 792 Q HA 0.634 4.973 4.340 -0.000 0.000 0.254 792 Q C 0.499 176.497 176.000 -0.005 0.000 0.932 792 Q CA -0.382 55.427 55.803 0.009 0.000 0.902 792 Q CB 0.387 29.129 28.738 0.007 0.000 1.203 792 Q HN 0.437 nan 8.270 nan 0.000 0.415 793 M N 3.992 123.560 119.600 -0.055 0.000 2.063 793 M HA 0.318 4.798 4.480 -0.000 0.000 0.348 793 M C -0.717 175.480 176.300 -0.171 0.000 1.180 793 M CA -0.116 55.145 55.300 -0.064 0.000 1.059 793 M CB 0.853 33.298 32.600 -0.258 0.000 1.544 793 M HN 0.422 nan 8.290 nan 0.000 0.447 794 M N 3.296 122.659 119.600 -0.394 0.000 2.762 794 M HA 0.693 5.173 4.480 -0.000 0.000 0.306 794 M C -0.665 175.263 176.300 -0.620 0.000 1.223 794 M CA -0.587 54.272 55.300 -0.736 0.000 0.896 794 M CB 2.071 33.796 32.600 -1.459 0.000 1.684 794 M HN 0.654 nan 8.290 nan 0.000 0.491 795 F N -0.782 118.853 119.950 -0.525 0.000 2.686 795 F HA 0.608 5.134 4.527 -0.000 0.000 0.311 795 F C -1.468 174.507 175.800 0.293 0.000 1.128 795 F CA -1.019 56.963 58.000 -0.029 0.000 0.946 795 F CB 1.214 40.264 39.000 0.084 0.000 1.336 795 F HN 0.616 nan 8.300 nan 0.000 0.457 796 H N 1.645 121.009 119.070 0.489 0.000 2.481 796 H HA 0.796 5.352 4.556 -0.000 0.000 0.333 796 H C -1.183 174.233 175.328 0.147 0.000 1.066 796 H CA -0.328 55.825 56.048 0.175 0.000 1.209 796 H CB 1.535 31.441 29.762 0.241 0.000 1.445 796 H HN 1.024 nan 8.280 nan 0.000 0.488 797 A N 4.826 127.272 122.820 -0.624 0.000 2.276 797 A HA 0.245 4.565 4.320 -0.000 0.000 0.316 797 A C -1.010 176.108 177.584 -0.775 0.000 1.229 797 A CA -0.592 51.141 52.037 -0.506 0.000 0.851 797 A CB 0.045 18.583 19.000 -0.770 0.000 1.165 797 A HN 0.965 nan 8.150 nan 0.000 0.513 798 H N 2.267 120.997 119.070 -0.565 0.000 2.640 798 H HA 0.311 4.867 4.556 -0.000 0.000 0.297 798 H C -0.937 174.045 175.328 -0.575 0.000 1.073 798 H CA -0.700 55.036 56.048 -0.521 0.000 1.305 798 H CB 0.420 29.976 29.762 -0.343 0.000 1.404 798 H HN 0.756 nan 8.280 nan 0.000 0.459 799 W N 5.026 126.276 121.300 -0.084 0.000 2.190 799 W HA 0.099 4.759 4.660 -0.000 0.000 0.330 799 W C -0.297 175.954 176.519 -0.446 0.000 1.299 799 W CA -0.605 56.603 57.345 -0.227 0.000 1.215 799 W CB 0.420 29.773 29.460 -0.179 0.000 1.147 799 W HN 0.472 nan 8.180 nan 0.000 0.563 800 F N 1.396 121.381 119.950 0.058 0.000 2.294 800 F HA 0.526 5.053 4.527 -0.000 0.000 0.319 800 F C 0.440 176.244 175.800 0.007 0.000 1.107 800 F CA -1.021 56.925 58.000 -0.090 0.000 1.094 800 F CB 0.525 39.428 39.000 -0.161 0.000 1.508 800 F HN 0.216 nan 8.300 nan 0.000 0.506 801 C N 1.192 120.664 119.300 0.287 0.000 2.832 801 C HA 0.769 5.229 4.460 -0.000 0.000 0.383 801 C C -0.517 174.617 174.990 0.241 0.000 1.046 801 C CA -0.861 58.276 59.018 0.198 0.000 1.242 801 C CB -0.430 27.415 27.740 0.174 0.000 1.693 801 C HN 1.005 nan 8.230 nan 0.000 0.497 802 A N 4.147 127.068 122.820 0.168 0.000 2.407 802 A HA 0.540 4.860 4.320 -0.000 0.000 0.248 802 A C 1.438 179.155 177.584 0.222 0.000 1.082 802 A CA 0.666 52.807 52.037 0.174 0.000 0.785 802 A CB 0.309 19.383 19.000 0.124 0.000 1.020 802 A HN 2.127 nan 8.150 nan 0.000 0.489 803 G N 0.918 109.907 108.800 0.316 0.000 2.574 803 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 803 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 803 G C 1.385 176.353 174.900 0.114 0.000 1.173 803 G CA 2.249 47.545 45.100 0.327 0.000 0.772 803 G HN 1.342 nan 8.290 nan 0.000 0.585 804 T N -0.113 114.504 114.554 0.105 0.000 2.946 804 T HA -0.024 4.326 4.350 -0.000 0.000 0.271 804 T C 1.859 176.592 174.700 0.055 0.000 1.104 804 T CA 1.892 64.035 62.100 0.072 0.000 1.114 804 T CB -0.282 68.627 68.868 0.068 0.000 0.867 804 T HN 0.212 nan 8.240 nan 0.000 0.513 805 D N 0.904 121.329 120.400 0.042 0.000 2.347 805 D HA 0.067 4.707 4.640 -0.000 0.000 0.213 805 D C 1.559 177.862 176.300 0.006 0.000 0.985 805 D CA 0.951 54.972 54.000 0.034 0.000 0.879 805 D CB 0.086 40.912 40.800 0.042 0.000 0.919 805 D HN 0.667 nan 8.370 nan 0.000 0.526 806 T N -2.588 111.891 114.554 -0.126 0.000 2.880 806 T HA 0.276 4.626 4.350 -0.000 0.000 0.279 806 T C 1.884 176.631 174.700 0.078 0.000 0.990 806 T CA -0.608 61.309 62.100 -0.306 0.000 0.938 806 T CB 1.170 69.486 68.868 -0.919 0.000 1.206 806 T HN -0.188 nan 8.240 nan 0.000 0.573 807 V N 0.291 120.337 119.914 0.220 0.000 2.380 807 V HA -0.137 3.983 4.120 -0.000 0.000 0.251 807 V C 2.672 178.824 176.094 0.096 0.000 1.063 807 V CA 1.220 63.623 62.300 0.172 0.000 1.055 807 V CB -1.516 30.308 31.823 0.002 0.000 0.657 807 V HN 0.655 nan 8.190 nan 0.000 0.455 808 L N 1.000 122.275 121.223 0.086 0.000 2.151 808 L HA -0.030 4.310 4.340 -0.000 0.000 0.215 808 L C 1.891 178.795 176.870 0.056 0.000 1.084 808 L CA 1.952 56.821 54.840 0.048 0.000 0.764 808 L CB -1.754 40.322 42.059 0.029 0.000 0.891 808 L HN 0.656 nan 8.230 nan 0.000 0.435 809 G N -1.439 107.400 108.800 0.064 0.000 2.614 809 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.303 809 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.303 809 G C 1.064 176.001 174.900 0.062 0.000 1.270 809 G CA 1.078 46.218 45.100 0.067 0.000 0.988 809 G HN 0.731 nan 8.290 nan 0.000 0.551 810 A N -1.070 121.782 122.820 0.053 0.000 2.067 810 A HA 0.182 4.502 4.320 -0.000 0.000 0.219 810 A C 2.603 180.218 177.584 0.052 0.000 1.158 810 A CA 3.219 55.284 52.037 0.048 0.000 0.661 810 A CB -0.991 18.030 19.000 0.035 0.000 0.801 810 A HN 2.184 nan 8.150 nan 0.000 0.452 811 T N -2.391 112.197 114.554 0.057 0.000 3.113 811 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 811 T C 1.057 175.804 174.700 0.080 0.000 1.143 811 T CA 0.809 62.948 62.100 0.065 0.000 1.090 811 T CB -0.580 68.330 68.868 0.071 0.000 0.922 811 T HN 0.317 nan 8.240 nan 0.000 0.521 812 S N 1.529 117.282 115.700 0.090 0.000 2.579 812 S HA 0.142 4.612 4.470 -0.000 0.000 0.275 812 S C -0.071 174.600 174.600 0.118 0.000 1.345 812 S CA -0.655 57.621 58.200 0.126 0.000 1.031 812 S CB 0.208 63.504 63.200 0.161 0.000 0.892 812 S HN 0.513 nan 8.310 nan 0.000 0.529 813 D N 3.275 123.760 120.400 0.142 0.000 2.371 813 D HA 0.243 4.883 4.640 -0.000 0.000 0.256 813 D C -1.566 174.794 176.300 0.101 0.000 1.193 813 D CA -1.915 52.165 54.000 0.133 0.000 0.881 813 D CB 1.271 42.197 40.800 0.210 0.000 1.143 813 D HN 0.229 nan 8.370 nan 0.000 0.473 814 P HA -0.114 nan 4.420 nan 0.000 0.217 814 P C 1.258 178.579 177.300 0.036 0.000 1.148 814 P CA 0.940 64.072 63.100 0.053 0.000 0.828 814 P CB 0.191 31.905 31.700 0.023 0.000 0.783 815 L N -1.295 119.943 121.223 0.024 0.000 2.599 815 L HA 0.082 4.422 4.340 -0.000 0.000 0.230 815 L C 1.102 177.888 176.870 -0.141 0.000 1.141 815 L CA 0.154 54.980 54.840 -0.023 0.000 0.877 815 L CB -0.466 41.643 42.059 0.084 0.000 1.009 815 L HN 0.077 nan 8.230 nan 0.000 0.447 816 E N 1.001 121.028 120.200 -0.289 0.000 2.191 816 E HA 0.534 4.884 4.350 -0.000 0.000 0.278 816 E C -0.930 175.398 176.600 -0.452 0.000 0.972 816 E CA -0.432 55.482 56.400 -0.810 0.000 0.804 816 E CB 1.168 30.418 29.700 -0.750 0.000 1.110 816 E HN 0.110 nan 8.360 nan 0.000 0.394 817 L N 3.218 124.084 121.223 -0.595 0.000 2.279 817 L HA 0.625 4.965 4.340 -0.000 0.000 0.262 817 L C -0.967 175.645 176.870 -0.429 0.000 1.019 817 L CA -1.081 53.563 54.840 -0.327 0.000 0.823 817 L CB 1.246 43.014 42.059 -0.486 0.000 1.358 817 L HN 0.539 nan 8.230 nan 0.000 0.432 818 F N 0.415 120.461 119.950 0.160 0.000 2.561 818 F HA 0.465 4.992 4.527 0.000 0.000 0.313 818 F C -0.175 175.687 175.800 0.103 0.000 1.126 818 F CA -0.633 57.506 58.000 0.232 0.000 0.918 818 F CB 1.444 40.572 39.000 0.213 0.000 1.199 818 F HN 0.131 nan 8.300 nan 0.000 0.444 819 L N 3.529 124.812 121.223 0.101 0.000 2.514 819 L HA 0.301 4.640 4.340 -0.000 0.000 0.280 819 L C -0.215 176.150 176.870 -0.842 0.000 1.223 819 L CA 0.003 54.521 54.840 -0.536 0.000 0.864 819 L CB 0.136 41.853 42.059 -0.571 0.000 1.118 819 L HN 0.377 nan 8.230 nan 0.000 0.494 820 V N 0.837 120.249 119.914 -0.836 0.000 3.007 820 V HA 0.368 4.487 4.120 -0.000 0.000 0.311 820 V C 0.617 176.489 176.094 -0.371 0.000 1.120 820 V CA -0.585 61.353 62.300 -0.603 0.000 0.980 820 V CB 1.999 33.723 31.823 -0.164 0.000 1.033 820 V HN 0.845 nan 8.190 nan 0.000 0.429 821 G N 1.841 110.607 108.800 -0.056 0.000 3.284 821 G HA2 0.352 4.312 3.960 -0.000 0.000 0.251 821 G HA3 0.352 4.312 3.960 -0.000 0.000 0.251 821 G C -0.031 174.905 174.900 0.059 0.000 0.913 821 G CA 0.081 45.285 45.100 0.174 0.000 1.947 821 G HN 0.687 nan 8.290 nan 0.000 0.635 822 E N -0.407 119.825 120.200 0.053 0.000 2.275 822 E HA 0.513 4.863 4.350 -0.000 0.000 0.270 822 E C -0.817 175.907 176.600 0.207 0.000 0.882 822 E CA -0.855 55.625 56.400 0.134 0.000 0.758 822 E CB 2.190 31.972 29.700 0.136 0.000 1.195 822 E HN 0.406 nan 8.360 nan 0.000 0.419 823 C N 0.960 120.320 119.300 0.100 0.000 3.113 823 C HA 0.712 5.172 4.460 -0.000 0.000 0.376 823 C C -0.922 173.973 174.990 -0.158 0.000 1.077 823 C CA -0.841 58.044 59.018 -0.221 0.000 1.253 823 C CB 0.729 28.290 27.740 -0.299 0.000 1.637 823 C HN 0.977 nan 8.230 nan 0.000 0.535 824 E N 1.955 121.932 120.200 -0.372 0.000 2.445 824 E HA 0.591 4.941 4.350 -0.000 0.000 0.273 824 E C -1.260 175.154 176.600 -0.311 0.000 0.961 824 E CA -0.777 55.519 56.400 -0.174 0.000 0.807 824 E CB 1.191 30.896 29.700 0.009 0.000 1.362 824 E HN 0.628 nan 8.360 nan 0.000 0.453 825 N N 0.389 119.057 118.700 -0.053 0.000 2.495 825 N HA 0.534 5.274 4.740 -0.000 0.000 0.280 825 N C -0.654 174.733 175.510 -0.205 0.000 1.168 825 N CA -0.150 52.895 53.050 -0.009 0.000 0.978 825 N CB 1.208 39.852 38.487 0.262 0.000 1.191 825 N HN 0.483 nan 8.380 nan 0.000 0.497 826 M N 0.448 119.832 119.600 -0.359 0.000 2.490 826 M HA 0.113 4.593 4.480 -0.000 0.000 0.286 826 M C -0.912 175.305 176.300 -0.139 0.000 1.185 826 M CA -0.557 54.573 55.300 -0.284 0.000 0.912 826 M CB 2.872 35.206 32.600 -0.445 0.000 1.744 826 M HN 0.353 nan 8.290 nan 0.000 0.494 827 Q N 2.267 122.168 119.800 0.169 0.000 2.289 827 Q HA 0.216 4.556 4.340 -0.000 0.000 0.273 827 Q C 0.587 176.706 176.000 0.198 0.000 1.029 827 Q CA 0.033 55.899 55.803 0.104 0.000 0.896 827 Q CB 0.797 29.560 28.738 0.040 0.000 1.182 827 Q HN 0.774 nan 8.270 nan 0.000 0.385 828 L N 2.346 123.668 121.223 0.165 0.000 2.151 828 L HA -0.321 4.019 4.340 -0.000 0.000 0.215 828 L C 2.121 179.064 176.870 0.120 0.000 1.084 828 L CA 1.634 56.607 54.840 0.221 0.000 0.764 828 L CB -0.711 41.349 42.059 0.002 0.000 0.891 828 L HN 0.736 nan 8.230 nan 0.000 0.435 829 S N -1.922 113.770 115.700 -0.014 0.000 2.547 829 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 829 S C 1.612 176.158 174.600 -0.090 0.000 0.980 829 S CA 0.594 58.730 58.200 -0.106 0.000 0.941 829 S CB -0.569 62.508 63.200 -0.206 0.000 0.763 829 S HN 0.461 nan 8.310 nan 0.000 0.532 830 Y N 1.520 121.891 120.300 0.118 0.000 2.457 830 Y HA 0.301 4.851 4.550 -0.000 0.000 0.292 830 Y C 1.093 177.110 175.900 0.194 0.000 1.125 830 Y CA -0.332 57.861 58.100 0.155 0.000 1.254 830 Y CB -0.238 38.325 38.460 0.173 0.000 1.012 830 Y HN 0.226 nan 8.280 nan 0.000 0.555 831 I N 0.653 121.417 120.570 0.324 0.000 2.752 831 I HA -0.176 3.994 4.170 -0.000 0.000 0.289 831 I C 1.365 177.583 176.117 0.169 0.000 1.197 831 I CA 0.583 62.010 61.300 0.211 0.000 1.432 831 I CB 0.707 38.738 38.000 0.051 0.000 1.359 831 I HN 0.313 nan 8.210 nan 0.000 0.571 832 H N 5.449 124.575 119.070 0.093 0.000 2.276 832 H HA 0.318 4.874 4.556 -0.000 0.000 0.324 832 H C 0.944 176.292 175.328 0.034 0.000 1.093 832 H CA 0.925 57.010 56.048 0.061 0.000 1.539 832 H CB 0.319 30.124 29.762 0.072 0.000 1.479 832 H HN 0.726 nan 8.280 nan 0.000 0.582 833 S N -0.001 115.952 115.700 0.421 0.000 2.677 833 S HA 0.441 4.911 4.470 -0.000 0.000 0.304 833 S C -0.778 173.905 174.600 0.138 0.000 1.108 833 S CA -0.888 57.467 58.200 0.258 0.000 0.944 833 S CB 1.106 64.539 63.200 0.390 0.000 1.127 833 S HN 0.512 nan 8.310 nan 0.000 0.511 834 K N 0.675 121.126 120.400 0.085 0.000 2.263 834 K HA 0.624 4.944 4.320 -0.000 0.000 0.272 834 K C -0.615 176.033 176.600 0.080 0.000 1.033 834 K CA -0.550 55.772 56.287 0.058 0.000 0.884 834 K CB 0.698 33.214 32.500 0.027 0.000 1.107 834 K HN 0.574 nan 8.250 nan 0.000 0.460 835 V N 0.788 120.752 119.914 0.083 0.000 2.547 835 V HA 0.452 4.572 4.120 -0.000 0.000 0.299 835 V C -0.369 175.790 176.094 0.109 0.000 1.040 835 V CA -1.061 61.306 62.300 0.112 0.000 0.913 835 V CB 1.318 33.224 31.823 0.137 0.000 0.992 835 V HN 0.916 nan 8.190 nan 0.000 0.449 836 K N 3.105 123.585 120.400 0.134 0.000 2.276 836 K HA 0.627 4.947 4.320 -0.000 0.000 0.283 836 K C -1.304 175.392 176.600 0.160 0.000 1.044 836 K CA -0.407 55.958 56.287 0.130 0.000 0.944 836 K CB 1.448 34.016 32.500 0.113 0.000 1.012 836 K HN 0.674 nan 8.250 nan 0.000 0.472 837 V N 4.568 124.571 119.914 0.149 0.000 2.482 837 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 837 V C 0.207 176.455 176.094 0.258 0.000 1.026 837 V CA -0.694 61.703 62.300 0.163 0.000 0.856 837 V CB 1.131 32.945 31.823 -0.015 0.000 1.001 837 V HN 0.809 nan 8.190 nan 0.000 0.424 838 I N 3.831 124.563 120.570 0.270 0.000 2.499 838 I HA 0.686 4.856 4.170 -0.000 0.000 0.296 838 I C -0.596 175.700 176.117 0.299 0.000 0.992 838 I CA -0.875 60.577 61.300 0.255 0.000 1.297 838 I CB 0.822 38.914 38.000 0.153 0.000 1.410 838 I HN 0.882 nan 8.210 nan 0.000 0.507 839 Y N 4.709 125.030 120.300 0.035 0.000 2.434 839 Y HA 0.504 5.054 4.550 -0.000 0.000 0.341 839 Y C 0.842 176.611 175.900 -0.217 0.000 0.965 839 Y CA -0.596 57.291 58.100 -0.356 0.000 1.205 839 Y CB 0.718 38.961 38.460 -0.362 0.000 1.121 839 Y HN 0.758 nan 8.280 nan 0.000 0.507 840 K N 6.121 126.255 120.400 -0.443 0.000 2.121 840 K HA 0.422 4.742 4.320 -0.000 0.000 0.235 840 K C -0.266 175.936 176.600 -0.662 0.000 1.200 840 K CA -0.145 55.882 56.287 -0.433 0.000 1.115 840 K CB -0.386 31.973 32.500 -0.235 0.000 1.474 840 K HN 0.766 nan 8.250 nan 0.000 0.295 841 A N 4.091 126.319 122.820 -0.987 0.000 2.386 841 A HA 0.329 4.649 4.320 -0.000 0.000 0.248 841 A C -2.129 175.254 177.584 -0.335 0.000 1.082 841 A CA -1.211 50.369 52.037 -0.762 0.000 0.789 841 A CB -0.163 18.444 19.000 -0.656 0.000 1.025 841 A HN 0.558 nan 8.150 nan 0.000 0.490 842 P HA 0.168 nan 4.420 nan 0.000 0.268 842 P C 0.193 177.449 177.300 -0.074 0.000 1.204 842 P CA -0.011 62.989 63.100 -0.168 0.000 0.768 842 P CB 0.716 32.207 31.700 -0.347 0.000 0.842 843 S N 1.910 117.625 115.700 0.026 0.000 2.580 843 S HA 0.177 4.647 4.470 -0.000 0.000 0.266 843 S C 1.897 176.525 174.600 0.046 0.000 1.354 843 S CA 0.468 58.684 58.200 0.028 0.000 1.008 843 S CB 0.267 63.492 63.200 0.042 0.000 0.898 843 S HN 0.514 nan 8.310 nan 0.000 0.555 844 E N 1.684 121.897 120.200 0.022 0.000 2.077 844 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 844 E C 1.453 178.082 176.600 0.049 0.000 0.989 844 E CA 1.806 58.222 56.400 0.025 0.000 0.800 844 E CB -1.798 27.908 29.700 0.010 0.000 0.746 844 E HN 1.030 nan 8.360 nan 0.000 0.452 845 N N -0.819 117.905 118.700 0.040 0.000 3.131 845 N HA 0.374 5.114 4.740 -0.000 0.000 0.312 845 N C 0.633 176.167 175.510 0.041 0.000 1.433 845 N CA 0.160 53.227 53.050 0.028 0.000 1.141 845 N CB -0.934 37.542 38.487 -0.018 0.000 1.431 845 N HN 0.588 nan 8.380 nan 0.000 0.523 846 W N 0.932 122.176 121.300 -0.093 0.000 2.354 846 W HA -0.067 4.593 4.660 -0.000 0.000 0.315 846 W C 2.129 178.573 176.519 -0.124 0.000 1.206 846 W CA 2.331 59.606 57.345 -0.116 0.000 1.290 846 W CB -0.146 29.235 29.460 -0.132 0.000 1.152 846 W HN 0.471 nan 8.180 nan 0.000 0.489 847 A N 0.095 122.875 122.820 -0.066 0.000 2.032 847 A HA -0.215 4.104 4.320 -0.000 0.000 0.221 847 A C 1.802 179.153 177.584 -0.389 0.000 1.165 847 A CA 2.013 53.849 52.037 -0.336 0.000 0.645 847 A CB -0.649 18.341 19.000 -0.017 0.000 0.807 847 A HN 0.357 nan 8.150 nan 0.000 0.453 848 M N 0.202 119.637 119.600 -0.274 0.000 2.495 848 M HA 0.056 4.536 4.480 -0.000 0.000 0.237 848 M C 0.168 176.288 176.300 -0.300 0.000 1.131 848 M CA 0.373 55.515 55.300 -0.264 0.000 1.032 848 M CB -0.677 31.827 32.600 -0.159 0.000 1.513 848 M HN 0.648 nan 8.290 nan 0.000 0.488 849 E N -0.058 119.935 120.200 -0.344 0.000 2.464 849 E HA 0.414 4.764 4.350 -0.000 0.000 0.260 849 E C 1.199 177.600 176.600 -0.332 0.000 1.318 849 E CA -0.211 56.013 56.400 -0.294 0.000 1.571 849 E CB -0.156 29.403 29.700 -0.234 0.000 1.525 849 E HN 0.269 nan 8.360 nan 0.000 0.449 850 G N 1.928 110.502 108.800 -0.377 0.000 2.484 850 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 850 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 850 G C 0.811 175.603 174.900 -0.179 0.000 1.219 850 G CA 0.492 45.389 45.100 -0.338 0.000 0.791 850 G HN 0.464 nan 8.290 nan 0.000 0.550 866 T N -0.144 114.393 114.554 -0.029 0.000 2.900 866 T HA 0.680 5.029 4.350 -0.000 0.000 0.295 866 T C -0.432 174.295 174.700 0.046 0.000 1.044 866 T CA -0.828 61.272 62.100 -0.000 0.000 0.995 866 T CB 0.549 69.452 68.868 0.058 0.000 1.072 866 T HN 0.325 nan 8.240 nan 0.000 0.473 867 Y N 2.204 122.542 120.300 0.062 0.000 2.620 867 Y HA 0.435 4.985 4.550 -0.000 0.000 0.330 867 Y C 0.296 176.253 175.900 0.095 0.000 1.186 867 Y CA 0.172 58.278 58.100 0.011 0.000 1.467 867 Y CB -0.030 38.374 38.460 -0.092 0.000 1.262 867 Y HN 0.650 nan 8.280 nan 0.000 0.550 868 F N 3.587 123.608 119.950 0.119 0.000 2.613 868 F HA 0.821 5.348 4.527 -0.000 0.000 0.314 868 F C -1.739 174.121 175.800 0.101 0.000 1.075 868 F CA -2.220 55.831 58.000 0.085 0.000 0.945 868 F CB 1.486 40.487 39.000 0.002 0.000 1.310 868 F HN 0.243 nan 8.300 nan 0.000 0.467 869 F N 1.223 121.160 119.950 -0.022 0.000 2.613 869 F HA 0.572 5.099 4.527 -0.000 0.000 0.310 869 F C -0.207 175.754 175.800 0.267 0.000 1.085 869 F CA -0.697 57.227 58.000 -0.127 0.000 0.945 869 F CB 2.194 41.149 39.000 -0.075 0.000 1.298 869 F HN 0.780 nan 8.300 nan 0.000 0.455 870 Q N 1.888 121.741 119.800 0.088 0.000 2.279 870 Q HA 0.467 4.807 4.340 -0.000 0.000 0.261 870 Q C -0.936 175.291 176.000 0.378 0.000 0.796 870 Q CA -0.095 55.794 55.803 0.143 0.000 0.971 870 Q CB 1.303 30.121 28.738 0.133 0.000 1.179 870 Q HN 0.713 nan 8.270 nan 0.000 0.505 871 L N 0.026 121.553 121.223 0.506 0.000 2.283 871 L HA 0.587 4.927 4.340 -0.000 0.000 0.259 871 L C -1.258 176.105 176.870 0.822 0.000 1.027 871 L CA -1.015 54.233 54.840 0.681 0.000 0.828 871 L CB 2.397 44.931 42.059 0.791 0.000 1.380 871 L HN 0.161 nan 8.230 nan 0.000 0.425 872 W N 1.037 122.655 121.300 0.530 0.000 2.520 872 W HA 0.352 5.011 4.660 -0.000 0.000 0.323 872 W C -1.661 175.072 176.519 0.357 0.000 1.062 872 W CA -0.640 56.953 57.345 0.414 0.000 1.215 872 W CB 1.577 31.204 29.460 0.279 0.000 1.340 872 W HN 0.365 nan 8.180 nan 0.000 0.516 873 Y N 6.716 127.052 120.300 0.061 0.000 2.328 873 Y HA 0.253 4.803 4.550 -0.000 0.000 0.333 873 Y C -0.475 175.396 175.900 -0.047 0.000 0.958 873 Y CA -0.794 57.206 58.100 -0.166 0.000 1.167 873 Y CB 0.551 38.765 38.460 -0.411 0.000 1.151 873 Y HN 0.383 nan 8.280 nan 0.000 0.470 874 N N 5.595 124.054 118.700 -0.402 0.000 2.406 874 N HA 0.048 4.788 4.740 -0.000 0.000 0.251 874 N C 0.824 175.831 175.510 -0.838 0.000 1.069 874 N CA 0.289 53.120 53.050 -0.366 0.000 0.947 874 N CB 1.210 39.686 38.487 -0.019 0.000 1.111 874 N HN 1.034 nan 8.380 nan 0.000 0.497 875 Q N 2.662 122.020 119.800 -0.736 0.000 2.084 875 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 875 Q C 1.120 176.936 176.000 -0.308 0.000 0.978 875 Q CA 1.479 56.944 55.803 -0.564 0.000 0.844 875 Q CB 0.095 28.695 28.738 -0.231 0.000 0.898 875 Q HN 0.745 nan 8.270 nan 0.000 0.426 876 E N -1.164 118.815 120.200 -0.369 0.000 2.274 876 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 876 E C 0.708 177.114 176.600 -0.325 0.000 0.996 876 E CA 0.732 56.873 56.400 -0.432 0.000 0.840 876 E CB 0.166 29.478 29.700 -0.645 0.000 0.772 876 E HN 0.558 nan 8.360 nan 0.000 0.491 877 Y N -1.224 119.028 120.300 -0.081 0.000 2.453 877 Y HA 0.372 4.922 4.550 -0.000 0.000 0.247 877 Y C 0.575 176.406 175.900 -0.115 0.000 1.124 877 Y CA -0.196 57.849 58.100 -0.092 0.000 1.243 877 Y CB 1.094 39.503 38.460 -0.085 0.000 1.213 877 Y HN 0.016 nan 8.280 nan 0.000 0.523 878 A N 1.802 124.674 122.820 0.087 0.000 2.519 878 A HA -0.256 4.064 4.320 -0.000 0.000 0.297 878 A C -0.169 177.469 177.584 0.091 0.000 1.472 878 A CA 0.744 52.828 52.037 0.078 0.000 0.739 878 A CB -1.813 17.191 19.000 0.007 0.000 1.096 878 A HN 0.543 nan 8.150 nan 0.000 0.414 879 R N -0.977 119.505 120.500 -0.030 0.000 2.437 879 R HA 0.647 4.987 4.340 -0.000 0.000 0.310 879 R C -1.069 175.283 176.300 0.085 0.000 0.955 879 R CA -0.488 55.698 56.100 0.144 0.000 0.851 879 R CB 1.096 31.496 30.300 0.166 0.000 1.161 879 R HN 0.348 nan 8.270 nan 0.000 0.446 880 F N 1.928 122.083 119.950 0.342 0.000 2.388 880 F HA 0.346 4.872 4.527 -0.000 0.000 0.358 880 F C 0.446 176.455 175.800 0.348 0.000 1.122 880 F CA -0.412 57.824 58.000 0.393 0.000 1.056 880 F CB 1.399 40.621 39.000 0.370 0.000 1.155 880 F HN 0.323 nan 8.300 nan 0.000 0.461 881 E N 0.741 121.241 120.200 0.500 0.000 2.359 881 E HA 0.454 4.804 4.350 -0.000 0.000 0.266 881 E C -0.936 175.879 176.600 0.359 0.000 0.920 881 E CA -1.159 55.453 56.400 0.354 0.000 0.788 881 E CB 1.952 31.790 29.700 0.229 0.000 1.279 881 E HN 0.342 nan 8.360 nan 0.000 0.438 882 S N 2.444 118.283 115.700 0.232 0.000 2.549 882 S HA 0.131 4.601 4.470 -0.000 0.000 0.283 882 S C -2.267 172.459 174.600 0.211 0.000 1.320 882 S CA -0.968 57.357 58.200 0.209 0.000 1.058 882 S CB -0.075 63.186 63.200 0.101 0.000 0.882 882 S HN 0.276 nan 8.310 nan 0.000 0.498 883 P HA 0.104 nan 4.420 nan 0.000 0.261 883 P C -2.289 175.067 177.300 0.093 0.000 1.173 883 P CA -0.702 62.563 63.100 0.276 0.000 0.760 883 P CB -0.552 31.291 31.700 0.238 0.000 0.783 884 P HA 0.006 nan 4.420 nan 0.000 0.269 884 P C 0.509 177.814 177.300 0.009 0.000 1.211 884 P CA 0.335 63.375 63.100 -0.100 0.000 0.781 884 P CB 0.490 32.044 31.700 -0.243 0.000 0.877 885 K N -0.070 120.335 120.400 0.009 0.000 2.358 885 K HA 0.129 4.449 4.320 -0.000 0.000 0.197 885 K C 0.968 177.601 176.600 0.055 0.000 1.025 885 K CA 0.139 56.448 56.287 0.037 0.000 1.104 885 K CB -0.245 32.269 32.500 0.024 0.000 0.855 885 K HN 0.653 nan 8.250 nan 0.000 0.531 886 T N 1.562 116.160 114.554 0.074 0.000 2.939 886 T HA -0.067 4.283 4.350 -0.000 0.000 0.312 886 T C 0.228 175.033 174.700 0.176 0.000 1.064 886 T CA 0.579 62.752 62.100 0.122 0.000 1.136 886 T CB 0.207 69.156 68.868 0.135 0.000 1.035 886 T HN -0.128 nan 8.240 nan 0.000 0.538 887 Q N 2.531 122.377 119.800 0.078 0.000 2.353 887 Q HA 0.417 4.757 4.340 -0.000 0.000 0.268 887 Q C -2.341 173.551 176.000 -0.180 0.000 1.045 887 Q CA -1.855 53.883 55.803 -0.110 0.000 0.811 887 Q CB 1.526 30.210 28.738 -0.089 0.000 1.305 887 Q HN 0.520 nan 8.270 nan 0.000 0.447 888 P HA -0.087 nan 4.420 nan 0.000 0.266 888 P C -0.061 177.163 177.300 -0.125 0.000 1.180 888 P CA 0.585 63.414 63.100 -0.451 0.000 0.765 888 P CB 0.440 31.788 31.700 -0.587 0.000 0.806 889 T N -2.258 112.282 114.554 -0.023 0.000 2.892 889 T HA 0.509 4.859 4.350 -0.000 0.000 0.280 889 T C 1.492 176.180 174.700 -0.020 0.000 1.004 889 T CA 0.059 62.151 62.100 -0.014 0.000 0.950 889 T CB 0.090 68.963 68.868 0.009 0.000 1.309 889 T HN 0.291 nan 8.240 nan 0.000 0.592 890 E N 0.125 120.321 120.200 -0.007 0.000 2.150 890 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 890 E C 1.462 178.079 176.600 0.029 0.000 0.985 890 E CA 1.682 58.085 56.400 0.004 0.000 0.814 890 E CB -1.199 28.503 29.700 0.004 0.000 0.752 890 E HN 0.832 nan 8.360 nan 0.000 0.466 891 D N -0.098 120.314 120.400 0.021 0.000 2.346 891 D HA -0.023 4.616 4.640 -0.000 0.000 0.206 891 D C 1.301 177.585 176.300 -0.027 0.000 1.001 891 D CA 0.982 55.008 54.000 0.042 0.000 0.871 891 D CB 0.345 41.154 40.800 0.014 0.000 0.943 891 D HN 0.545 nan 8.370 nan 0.000 0.518 892 N N -0.637 118.006 118.700 -0.095 0.000 2.159 892 N HA 0.033 4.773 4.740 -0.000 0.000 0.217 892 N C 1.417 176.801 175.510 -0.210 0.000 1.223 892 N CA 0.329 53.231 53.050 -0.247 0.000 0.896 892 N CB -0.403 38.030 38.487 -0.089 0.000 1.064 892 N HN 0.036 nan 8.380 nan 0.000 0.518 893 K N 1.495 121.834 120.400 -0.101 0.000 2.074 893 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 893 K C 1.662 178.230 176.600 -0.053 0.000 1.048 893 K CA 1.931 58.184 56.287 -0.057 0.000 0.926 893 K CB -1.865 30.630 32.500 -0.008 0.000 0.713 893 K HN 0.828 nan 8.250 nan 0.000 0.444 894 H N 0.041 119.048 119.070 -0.105 0.000 2.556 894 H HA 0.124 4.680 4.556 -0.000 0.000 0.268 894 H C 0.558 175.753 175.328 -0.220 0.000 0.996 894 H CA 1.189 57.148 56.048 -0.148 0.000 1.157 894 H CB 0.094 29.736 29.762 -0.200 0.000 1.355 894 H HN 0.678 nan 8.280 nan 0.000 0.597 895 K N -0.708 119.416 120.400 -0.460 0.000 3.017 895 K HA 0.100 4.420 4.320 -0.000 0.000 0.178 895 K C -1.065 175.398 176.600 -0.230 0.000 1.103 895 K CA -0.632 55.395 56.287 -0.433 0.000 1.084 895 K CB -0.809 31.173 32.500 -0.864 0.000 0.711 895 K HN -0.037 nan 8.250 nan 0.000 0.416 896 F N 2.737 122.559 119.950 -0.214 0.000 2.502 896 F HA 0.235 4.762 4.527 -0.000 0.000 0.371 896 F C -0.347 175.419 175.800 -0.056 0.000 1.083 896 F CA -0.336 57.583 58.000 -0.136 0.000 1.174 896 F CB 0.679 39.630 39.000 -0.081 0.000 1.096 896 F HN 0.413 nan 8.300 nan 0.000 0.545 897 C N 8.303 127.219 119.300 -0.641 0.000 2.446 897 C HA 0.403 4.863 4.460 -0.000 0.000 0.329 897 C C 0.915 175.549 174.990 -0.595 0.000 1.166 897 C CA -0.855 57.896 59.018 -0.445 0.000 1.341 897 C CB -0.230 27.388 27.740 -0.205 0.000 1.970 897 C HN 1.010 nan 8.230 nan 0.000 0.452 898 L N 3.996 124.980 121.223 -0.397 0.000 2.056 898 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 898 L C 2.765 179.562 176.870 -0.121 0.000 1.078 898 L CA 2.374 57.093 54.840 -0.202 0.000 0.749 898 L CB -0.511 41.680 42.059 0.220 0.000 0.901 898 L HN 0.878 nan 8.230 nan 0.000 0.433 899 S N -1.525 113.983 115.700 -0.319 0.000 2.374 899 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 899 S C 2.250 176.770 174.600 -0.134 0.000 1.037 899 S CA 1.713 59.778 58.200 -0.225 0.000 1.024 899 S CB -0.484 62.364 63.200 -0.586 0.000 0.861 899 S HN 0.563 nan 8.310 nan 0.000 0.456 900 C N 1.135 120.321 119.300 -0.191 0.000 2.436 900 C HA 0.005 4.465 4.460 -0.000 0.000 0.277 900 C C 2.456 177.364 174.990 -0.137 0.000 1.241 900 C CA 0.828 59.755 59.018 -0.152 0.000 1.721 900 C CB -1.465 26.144 27.740 -0.218 0.000 2.043 900 C HN 0.654 nan 8.230 nan 0.000 0.472 901 I N 1.041 121.503 120.570 -0.181 0.000 2.163 901 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 901 I C 3.108 179.174 176.117 -0.085 0.000 1.085 901 I CA 2.085 63.304 61.300 -0.135 0.000 1.347 901 I CB -0.971 36.931 38.000 -0.164 0.000 1.044 901 I HN 0.391 nan 8.210 nan 0.000 0.408 902 R N 1.206 121.659 120.500 -0.077 0.000 2.112 902 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 902 R C 2.441 178.728 176.300 -0.022 0.000 1.137 902 R CA 2.581 58.652 56.100 -0.048 0.000 0.944 902 R CB -2.126 28.173 30.300 -0.001 0.000 0.857 902 R HN 0.444 nan 8.270 nan 0.000 0.435 903 L N -0.117 121.097 121.223 -0.015 0.000 2.079 903 L HA 0.319 4.659 4.340 -0.000 0.000 0.210 903 L C 3.079 179.935 176.870 -0.023 0.000 1.081 903 L CA 2.985 57.818 54.840 -0.012 0.000 0.752 903 L CB -1.841 40.209 42.059 -0.014 0.000 0.896 903 L HN 0.863 nan 8.230 nan 0.000 0.433 904 A N -0.239 122.558 122.820 -0.039 0.000 1.865 904 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 904 A C 2.479 180.049 177.584 -0.023 0.000 1.191 904 A CA 2.892 54.906 52.037 -0.037 0.000 0.623 904 A CB -1.166 17.803 19.000 -0.053 0.000 0.826 904 A HN 1.061 nan 8.150 nan 0.000 0.444 905 E N -0.305 119.881 120.200 -0.024 0.000 2.153 905 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 905 E C 1.937 178.535 176.600 -0.004 0.000 0.988 905 E CA 1.278 57.670 56.400 -0.013 0.000 0.811 905 E CB -0.667 29.022 29.700 -0.018 0.000 0.746 905 E HN 0.410 nan 8.360 nan 0.000 0.466 906 L N 0.202 121.423 121.223 -0.004 0.000 1.970 906 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 906 L C 3.187 180.061 176.870 0.007 0.000 1.071 906 L CA 2.857 57.701 54.840 0.007 0.000 0.751 906 L CB -1.564 40.500 42.059 0.009 0.000 0.889 906 L HN 0.584 nan 8.230 nan 0.000 0.432 907 R N -0.481 120.020 120.500 0.001 0.000 2.083 907 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 907 R C 1.915 178.219 176.300 0.007 0.000 1.137 907 R CA 1.506 57.606 56.100 0.001 0.000 0.951 907 R CB -1.321 28.975 30.300 -0.006 0.000 0.851 907 R HN 0.511 nan 8.270 nan 0.000 0.434 908 Q N 0.053 119.857 119.800 0.006 0.000 2.226 908 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 908 Q C 1.997 178.012 176.000 0.024 0.000 0.975 908 Q CA 1.985 57.796 55.803 0.013 0.000 0.866 908 Q CB -0.171 28.572 28.738 0.009 0.000 0.915 908 Q HN 0.763 nan 8.270 nan 0.000 0.440 909 K N 0.402 120.816 120.400 0.023 0.000 2.098 909 K HA -0.088 4.231 4.320 -0.000 0.000 0.203 909 K C 1.692 178.313 176.600 0.035 0.000 1.051 909 K CA 0.667 56.974 56.287 0.033 0.000 0.957 909 K CB 0.336 32.853 32.500 0.029 0.000 0.738 909 K HN -0.039 nan 8.250 nan 0.000 0.447 910 E N 1.322 121.536 120.200 0.023 0.000 2.051 910 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 910 E C 1.181 177.786 176.600 0.008 0.000 0.991 910 E CA 0.998 57.405 56.400 0.012 0.000 0.799 910 E CB -0.385 29.318 29.700 0.004 0.000 0.748 910 E HN 0.516 nan 8.360 nan 0.000 0.449 911 M N 1.368 120.977 119.600 0.016 0.000 2.233 911 M HA 0.357 4.837 4.480 -0.000 0.000 0.350 911 M C -2.394 173.938 176.300 0.054 0.000 1.176 911 M CA -1.941 53.371 55.300 0.021 0.000 1.150 911 M CB 0.387 32.998 32.600 0.017 0.000 1.530 911 M HN -0.354 nan 8.290 nan 0.000 0.459 912 P HA 0.335 nan 4.420 nan 0.000 0.271 912 P C -0.633 176.741 177.300 0.122 0.000 1.220 912 P CA 0.113 63.316 63.100 0.173 0.000 0.768 912 P CB 0.703 32.550 31.700 0.243 0.000 0.848 913 K N 1.505 121.977 120.400 0.120 0.000 2.296 913 K HA 0.869 5.189 4.320 -0.000 0.000 0.243 913 K C -0.857 175.766 176.600 0.037 0.000 1.082 913 K CA -0.580 55.746 56.287 0.065 0.000 0.929 913 K CB 1.159 33.691 32.500 0.054 0.000 1.353 913 K HN 0.421 nan 8.250 nan 0.000 0.536 914 V N 0.251 120.172 119.914 0.012 0.000 3.012 914 V HA 0.565 4.685 4.120 -0.000 0.000 0.307 914 V C -0.937 175.156 176.094 -0.001 0.000 1.166 914 V CA -0.670 61.619 62.300 -0.018 0.000 0.974 914 V CB 1.854 33.654 31.823 -0.039 0.000 1.040 914 V HN 0.679 nan 8.190 nan 0.000 0.428 915 L N 3.154 124.375 121.223 -0.004 0.000 2.653 915 L HA 0.569 4.909 4.340 -0.000 0.000 0.230 915 L C 0.662 177.537 176.870 0.008 0.000 1.055 915 L CA 0.693 55.538 54.840 0.009 0.000 0.880 915 L CB -0.540 41.530 42.059 0.017 0.000 1.195 915 L HN 0.702 nan 8.230 nan 0.000 0.492 916 E N 0.423 120.625 120.200 0.003 0.000 2.290 916 E HA 0.426 4.776 4.350 -0.000 0.000 0.274 916 E C -0.976 175.630 176.600 0.010 0.000 0.889 916 E CA -0.315 56.091 56.400 0.010 0.000 0.760 916 E CB 2.059 31.768 29.700 0.015 0.000 1.206 916 E HN 0.123 nan 8.360 nan 0.000 0.419 917 Q N 1.567 121.378 119.800 0.019 0.000 2.316 917 Q HA 0.478 4.818 4.340 -0.000 0.000 0.264 917 Q C 0.733 176.759 176.000 0.043 0.000 0.987 917 Q CA -0.213 55.610 55.803 0.032 0.000 0.852 917 Q CB 1.827 30.584 28.738 0.030 0.000 1.287 917 Q HN 0.649 nan 8.270 nan 0.000 0.448 918 I N 0.457 121.066 120.570 0.066 0.000 2.296 918 I HA 0.136 4.306 4.170 -0.000 0.000 0.242 918 I C 0.822 176.965 176.117 0.044 0.000 1.087 918 I CA 2.174 63.511 61.300 0.062 0.000 1.393 918 I CB -0.841 37.213 38.000 0.090 0.000 1.093 918 I HN 0.833 nan 8.210 nan 0.000 0.421 919 E N -0.451 119.784 120.200 0.059 0.000 2.422 919 E HA 0.625 4.975 4.350 -0.000 0.000 0.280 919 E C -0.866 175.758 176.600 0.040 0.000 1.091 919 E CA -0.063 56.348 56.400 0.019 0.000 0.849 919 E CB 0.301 29.979 29.700 -0.036 0.000 1.353 919 E HN 0.748 nan 8.360 nan 0.000 0.449 920 E N -0.023 120.182 120.200 0.009 0.000 2.214 920 E HA 0.691 5.040 4.350 -0.000 0.000 0.274 920 E C -1.266 175.312 176.600 -0.037 0.000 0.977 920 E CA -0.761 55.653 56.400 0.023 0.000 0.827 920 E CB 1.737 31.449 29.700 0.020 0.000 1.130 920 E HN 0.471 nan 8.360 nan 0.000 0.394 921 V N 3.720 123.621 119.914 -0.022 0.000 2.823 921 V HA 0.088 4.208 4.120 -0.000 0.000 0.296 921 V C -1.177 174.902 176.094 -0.025 0.000 1.250 921 V CA -0.783 61.465 62.300 -0.086 0.000 0.939 921 V CB 1.904 33.566 31.823 -0.270 0.000 1.062 921 V HN 0.944 nan 8.190 nan 0.000 0.433 922 D N 3.656 124.037 120.400 -0.032 0.000 2.708 922 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 922 D C 1.247 177.550 176.300 0.007 0.000 1.146 922 D CA 2.384 56.374 54.000 -0.017 0.000 0.662 922 D CB -0.905 39.879 40.800 -0.028 0.000 1.059 922 D HN 1.696 nan 8.370 nan 0.000 0.428 923 G N -0.359 108.450 108.800 0.014 0.000 2.198 923 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 923 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 923 G C 0.063 174.991 174.900 0.046 0.000 1.025 923 G CA 0.273 45.387 45.100 0.024 0.000 0.769 923 G HN 0.348 nan 8.290 nan 0.000 0.507 924 R N -0.247 120.300 120.500 0.079 0.000 2.575 924 R HA 0.420 4.760 4.340 -0.000 0.000 0.292 924 R C -0.026 176.414 176.300 0.233 0.000 1.246 924 R CA -0.674 55.506 56.100 0.134 0.000 0.973 924 R CB 1.315 31.692 30.300 0.127 0.000 1.187 924 R HN 0.155 nan 8.270 nan 0.000 0.478 925 V N 4.816 124.829 119.914 0.165 0.000 2.585 925 V HA 0.124 4.244 4.120 -0.000 0.000 0.296 925 V C 0.179 176.429 176.094 0.260 0.000 1.035 925 V CA 0.180 62.592 62.300 0.186 0.000 1.084 925 V CB 0.209 32.086 31.823 0.090 0.000 0.953 925 V HN 0.466 nan 8.190 nan 0.000 0.483 926 Y N 2.699 123.015 120.300 0.027 0.000 2.323 926 Y HA 0.453 5.003 4.550 -0.000 0.000 0.331 926 Y C 0.567 176.476 175.900 0.014 0.000 1.092 926 Y CA -0.481 57.644 58.100 0.041 0.000 1.150 926 Y CB 1.518 39.993 38.460 0.025 0.000 1.200 926 Y HN 0.601 nan 8.280 nan 0.000 0.472 927 C N 0.684 120.019 119.300 0.059 0.000 2.719 927 C HA 0.361 4.821 4.460 -0.000 0.000 0.327 927 C C 1.052 176.048 174.990 0.010 0.000 1.238 927 C CA -0.351 58.673 59.018 0.010 0.000 1.727 927 C CB 1.694 29.394 27.740 -0.065 0.000 2.256 927 C HN 0.982 nan 8.230 nan 0.000 0.489 928 S N -0.590 115.115 115.700 0.008 0.000 2.554 928 S HA 0.206 4.676 4.470 -0.000 0.000 0.227 928 S C 0.249 174.852 174.600 0.005 0.000 1.050 928 S CA 0.099 58.310 58.200 0.019 0.000 0.927 928 S CB 0.222 63.444 63.200 0.036 0.000 0.859 928 S HN 0.795 nan 8.310 nan 0.000 0.494 929 S N 1.359 117.052 115.700 -0.013 0.000 2.706 929 S HA 0.639 5.109 4.470 -0.000 0.000 0.270 929 S C -0.733 173.847 174.600 -0.033 0.000 1.163 929 S CA -0.926 57.270 58.200 -0.005 0.000 1.042 929 S CB 0.259 63.468 63.200 0.016 0.000 1.079 929 S HN 0.556 nan 8.310 nan 0.000 0.474 930 I N 1.316 121.848 120.570 -0.063 0.000 2.957 930 I HA 0.840 5.010 4.170 -0.000 0.000 0.310 930 I C -0.317 175.840 176.117 0.067 0.000 1.063 930 I CA -0.708 60.530 61.300 -0.105 0.000 1.033 930 I CB 2.205 39.958 38.000 -0.412 0.000 1.230 930 I HN 0.472 nan 8.210 nan 0.000 0.447 931 T N 2.334 116.969 114.554 0.134 0.000 2.900 931 T HA 0.534 4.884 4.350 -0.000 0.000 0.295 931 T C -1.264 173.670 174.700 0.392 0.000 1.044 931 T CA -0.644 61.626 62.100 0.284 0.000 0.995 931 T CB 1.442 70.406 68.868 0.160 0.000 1.072 931 T HN 0.886 nan 8.240 nan 0.000 0.473 932 K N 3.047 123.720 120.400 0.454 0.000 2.565 932 K HA 0.381 4.701 4.320 -0.000 0.000 0.251 932 K C -0.193 176.525 176.600 0.195 0.000 0.956 932 K CA -0.403 56.056 56.287 0.287 0.000 0.809 932 K CB 0.777 33.353 32.500 0.126 0.000 1.267 932 K HN 0.750 nan 8.250 nan 0.000 0.438 933 N N 2.659 121.423 118.700 0.107 0.000 2.782 933 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 933 N C 0.517 176.076 175.510 0.081 0.000 1.101 933 N CA 2.493 55.588 53.050 0.075 0.000 0.764 933 N CB -1.094 37.425 38.487 0.054 0.000 1.122 933 N HN 1.130 nan 8.380 nan 0.000 0.561 934 G N -3.321 105.532 108.800 0.088 0.000 2.279 934 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.223 934 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.223 934 G C 0.559 175.490 174.900 0.051 0.000 1.015 934 G CA 0.519 45.656 45.100 0.062 0.000 0.621 934 G HN 1.300 nan 8.290 nan 0.000 0.506 935 V N 0.978 120.932 119.914 0.067 0.000 2.686 935 V HA 0.760 4.879 4.120 -0.000 0.000 0.295 935 V C 0.550 176.621 176.094 -0.039 0.000 1.057 935 V CA -0.299 61.975 62.300 -0.044 0.000 1.012 935 V CB 1.715 33.460 31.823 -0.130 0.000 1.006 935 V HN 0.747 nan 8.190 nan 0.000 0.477 936 V N 4.588 124.389 119.914 -0.188 0.000 2.444 936 V HA 0.469 4.589 4.120 -0.000 0.000 0.294 936 V C -0.876 175.103 176.094 -0.192 0.000 1.022 936 V CA -0.710 61.551 62.300 -0.065 0.000 0.850 936 V CB 0.854 32.667 31.823 -0.016 0.000 0.992 936 V HN 0.765 nan 8.190 nan 0.000 0.426 937 Y N 4.064 124.392 120.300 0.045 0.000 2.341 937 Y HA 0.737 5.287 4.550 -0.000 0.000 0.337 937 Y C 0.561 176.453 175.900 -0.013 0.000 1.014 937 Y CA -0.672 57.443 58.100 0.025 0.000 1.111 937 Y CB 1.575 40.054 38.460 0.032 0.000 1.194 937 Y HN 0.477 nan 8.280 nan 0.000 0.462 938 R N 2.117 122.694 120.500 0.129 0.000 2.807 938 R HA 0.523 4.863 4.340 -0.000 0.000 0.276 938 R C -1.212 175.143 176.300 0.092 0.000 0.979 938 R CA -1.224 54.925 56.100 0.082 0.000 0.928 938 R CB 1.913 32.251 30.300 0.063 0.000 1.191 938 R HN 0.609 nan 8.270 nan 0.000 0.471 939 L N 1.538 122.805 121.223 0.073 0.000 2.593 939 L HA -0.069 4.271 4.340 -0.000 0.000 0.287 939 L C 1.401 178.345 176.870 0.123 0.000 1.243 939 L CA 1.506 56.399 54.840 0.089 0.000 0.890 939 L CB 0.135 42.243 42.059 0.082 0.000 1.134 939 L HN 1.104 nan 8.230 nan 0.000 0.502 940 G N 1.291 110.187 108.800 0.159 0.000 2.217 940 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 940 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 940 G C 0.227 175.250 174.900 0.205 0.000 0.990 940 G CA -0.035 45.184 45.100 0.198 0.000 0.627 940 G HN 0.611 nan 8.290 nan 0.000 0.522 941 D N 0.624 121.128 120.400 0.174 0.000 2.371 941 D HA 0.626 5.266 4.640 -0.000 0.000 0.242 941 D C 0.523 176.941 176.300 0.196 0.000 1.218 941 D CA 0.519 54.620 54.000 0.168 0.000 0.945 941 D CB 1.178 42.062 40.800 0.140 0.000 1.137 941 D HN 0.179 nan 8.370 nan 0.000 0.464 942 S N -0.581 115.218 115.700 0.166 0.000 2.607 942 S HA 0.665 5.135 4.470 -0.000 0.000 0.303 942 S C -0.663 173.979 174.600 0.070 0.000 1.086 942 S CA -0.707 57.581 58.200 0.146 0.000 0.995 942 S CB 2.073 65.356 63.200 0.138 0.000 1.084 942 S HN 0.168 nan 8.310 nan 0.000 0.507 943 V N 1.952 121.888 119.914 0.037 0.000 2.925 943 V HA 0.452 4.572 4.120 -0.000 0.000 0.311 943 V C -1.782 174.277 176.094 -0.058 0.000 1.104 943 V CA -0.685 61.629 62.300 0.023 0.000 0.954 943 V CB 1.917 33.797 31.823 0.094 0.000 1.022 943 V HN 0.831 nan 8.190 nan 0.000 0.427 944 Y N 4.949 125.204 120.300 -0.075 0.000 2.327 944 Y HA 0.686 5.236 4.550 -0.000 0.000 0.336 944 Y C 0.110 175.748 175.900 -0.437 0.000 1.035 944 Y CA -0.734 57.188 58.100 -0.297 0.000 1.165 944 Y CB 1.091 39.271 38.460 -0.466 0.000 1.181 944 Y HN 0.367 nan 8.280 nan 0.000 0.494 945 L N 5.770 126.867 121.223 -0.209 0.000 2.350 945 L HA 0.596 4.936 4.340 -0.000 0.000 0.260 945 L C -2.462 174.274 176.870 -0.223 0.000 1.015 945 L CA -2.451 52.239 54.840 -0.249 0.000 0.821 945 L CB 2.687 44.644 42.059 -0.169 0.000 1.370 945 L HN 0.357 nan 8.230 nan 0.000 0.416 946 P HA 0.129 nan 4.420 nan 0.000 0.272 946 P C -2.193 175.014 177.300 -0.155 0.000 1.230 946 P CA -1.065 61.993 63.100 -0.071 0.000 0.788 946 P CB 0.181 31.836 31.700 -0.076 0.000 0.949 947 P HA -0.187 nan 4.420 nan 0.000 0.216 947 P C 0.991 178.166 177.300 -0.210 0.000 1.150 947 P CA 1.608 64.618 63.100 -0.150 0.000 0.837 947 P CB -0.195 31.470 31.700 -0.058 0.000 0.786 948 E N -0.691 119.418 120.200 -0.151 0.000 2.478 948 E HA 0.091 4.441 4.350 -0.000 0.000 0.194 948 E C 1.740 178.248 176.600 -0.152 0.000 1.045 948 E CA 0.563 56.887 56.400 -0.127 0.000 0.868 948 E CB -0.821 28.835 29.700 -0.074 0.000 0.885 948 E HN 0.141 nan 8.360 nan 0.000 0.505 949 A N 1.701 124.386 122.820 -0.224 0.000 1.978 949 A HA 0.031 4.351 4.320 -0.000 0.000 0.220 949 A C 0.935 178.459 177.584 -0.100 0.000 1.170 949 A CA 1.235 53.161 52.037 -0.185 0.000 0.636 949 A CB -0.559 18.305 19.000 -0.227 0.000 0.810 949 A HN 0.436 nan 8.150 nan 0.000 0.448 950 F N -5.265 114.568 119.950 -0.194 0.000 2.672 950 F HA 0.664 5.191 4.527 -0.000 0.000 0.311 950 F C -0.150 175.438 175.800 -0.353 0.000 1.113 950 F CA -0.700 57.148 58.000 -0.252 0.000 0.996 950 F CB 0.330 39.161 39.000 -0.281 0.000 1.286 950 F HN 0.124 nan 8.300 nan 0.000 0.441 951 T N 1.013 115.577 114.554 0.017 0.000 2.770 951 T HA 0.620 4.970 4.350 -0.000 0.000 0.281 951 T C -1.041 173.576 174.700 -0.139 0.000 0.981 951 T CA -0.235 61.833 62.100 -0.053 0.000 0.955 951 T CB 0.291 69.171 68.868 0.021 0.000 1.060 951 T HN 0.492 nan 8.240 nan 0.000 0.531 952 F N 1.299 121.320 119.950 0.117 0.000 2.444 952 F HA 0.312 4.839 4.527 0.001 0.000 0.342 952 F C 0.789 176.659 175.800 0.117 0.000 1.121 952 F CA -1.140 56.915 58.000 0.093 0.000 0.997 952 F CB 1.503 40.564 39.000 0.101 0.000 1.130 952 F HN 0.406 nan 8.300 nan 0.000 0.454 953 N N 3.695 122.569 118.700 0.291 0.000 3.105 953 N HA 0.205 4.945 4.740 -0.000 0.000 0.309 953 N C -0.206 175.437 175.510 0.220 0.000 1.291 953 N CA 0.156 53.321 53.050 0.192 0.000 1.153 953 N CB -0.281 38.269 38.487 0.105 0.000 1.447 953 N HN 0.527 nan 8.380 nan 0.000 0.555 954 I N -1.384 119.348 120.570 0.269 0.000 2.439 954 I HA 0.614 4.784 4.170 -0.000 0.000 0.285 954 I C 0.764 176.969 176.117 0.147 0.000 1.021 954 I CA -1.588 59.832 61.300 0.200 0.000 1.091 954 I CB 0.227 38.399 38.000 0.286 0.000 1.242 954 I HN 0.175 nan 8.210 nan 0.000 0.439 955 K N 3.789 124.238 120.400 0.082 0.000 2.405 955 K HA 0.590 4.910 4.320 -0.000 0.000 0.273 955 K C -0.207 176.440 176.600 0.080 0.000 1.116 955 K CA 0.879 57.205 56.287 0.065 0.000 1.155 955 K CB -0.708 31.811 32.500 0.031 0.000 0.858 955 K HN 2.517 nan 8.250 nan 0.000 0.477 956 V N 1.351 121.317 119.914 0.086 0.000 2.357 956 V HA 0.752 4.872 4.120 -0.000 0.000 0.284 956 V C 0.537 176.671 176.094 0.066 0.000 1.018 956 V CA -0.646 61.705 62.300 0.085 0.000 0.841 956 V CB 1.312 33.196 31.823 0.101 0.000 0.991 956 V HN 1.261 nan 8.190 nan 0.000 0.437 957 A N 4.599 127.455 122.820 0.060 0.000 2.310 957 A HA 0.709 5.029 4.320 -0.000 0.000 0.300 957 A C 0.959 178.574 177.584 0.051 0.000 1.269 957 A CA 0.383 52.450 52.037 0.049 0.000 0.909 957 A CB -0.444 18.582 19.000 0.044 0.000 1.144 957 A HN 2.187 nan 8.150 nan 0.000 0.540 958 S N 3.140 118.868 115.700 0.047 0.000 2.555 958 S HA 0.470 4.940 4.470 -0.000 0.000 0.293 958 S C -0.177 174.449 174.600 0.043 0.000 1.248 958 S CA 0.059 58.287 58.200 0.047 0.000 1.096 958 S CB -0.925 62.299 63.200 0.040 0.000 0.881 958 S HN 1.272 nan 8.310 nan 0.000 0.498 959 P HA 0.611 nan 4.420 nan 0.000 0.269 959 P C 0.066 177.388 177.300 0.036 0.000 1.211 959 P CA 0.565 63.692 63.100 0.045 0.000 0.781 959 P CB -0.051 31.681 31.700 0.053 0.000 0.877 960 V N 0.633 120.566 119.914 0.032 0.000 2.583 960 V HA 0.609 4.729 4.120 -0.000 0.000 0.287 960 V C 1.045 177.152 176.094 0.022 0.000 1.051 960 V CA -0.327 61.989 62.300 0.025 0.000 1.010 960 V CB -0.019 31.818 31.823 0.023 0.000 0.988 960 V HN 1.029 nan 8.190 nan 0.000 0.478 961 K N 3.714 124.124 120.400 0.018 0.000 2.466 961 K HA 0.562 4.882 4.320 -0.000 0.000 0.278 961 K C 0.774 177.380 176.600 0.009 0.000 1.048 961 K CA 0.503 56.798 56.287 0.014 0.000 1.088 961 K CB -0.961 31.546 32.500 0.011 0.000 0.884 961 K HN 2.236 nan 8.250 nan 0.000 0.478 962 R N 2.132 122.636 120.500 0.006 0.000 2.678 962 R HA 0.439 4.779 4.340 -0.000 0.000 0.264 962 R C -0.209 176.087 176.300 -0.006 0.000 0.995 962 R CA 0.305 56.404 56.100 -0.002 0.000 1.098 962 R CB -1.535 28.760 30.300 -0.009 0.000 0.949 962 R HN 1.358 nan 8.270 nan 0.000 0.422 963 P HA 0.500 nan 4.420 nan 0.000 0.271 963 P C 0.161 177.450 177.300 -0.018 0.000 1.238 963 P CA 0.818 63.910 63.100 -0.013 0.000 0.794 963 P CB 0.083 31.773 31.700 -0.017 0.000 0.959 964 K N 0.571 120.961 120.400 -0.016 0.000 2.312 964 K HA 0.592 4.912 4.320 -0.000 0.000 0.287 964 K C 0.459 177.042 176.600 -0.028 0.000 1.062 964 K CA 0.324 56.600 56.287 -0.018 0.000 0.934 964 K CB -0.602 31.892 32.500 -0.011 0.000 1.027 964 K HN 1.026 nan 8.250 nan 0.000 0.478 965 K N 1.428 121.807 120.400 -0.036 0.000 2.276 965 K HA 0.543 4.863 4.320 -0.000 0.000 0.285 965 K C 0.256 176.829 176.600 -0.044 0.000 1.062 965 K CA 0.067 56.322 56.287 -0.053 0.000 0.918 965 K CB -0.536 31.922 32.500 -0.070 0.000 1.055 965 K HN 1.104 nan 8.250 nan 0.000 0.477 966 D N 4.136 124.509 120.400 -0.046 0.000 2.382 966 D HA 0.387 5.027 4.640 -0.000 0.000 0.259 966 D C -1.579 174.692 176.300 -0.048 0.000 1.224 966 D CA -1.148 52.830 54.000 -0.036 0.000 0.894 966 D CB -0.522 40.262 40.800 -0.027 0.000 1.127 966 D HN 0.591 nan 8.370 nan 0.000 0.487 967 P HA 0.262 nan 4.420 nan 0.000 0.257 967 P C 0.360 177.625 177.300 -0.059 0.000 1.153 967 P CA 0.025 63.105 63.100 -0.034 0.000 0.762 967 P CB -0.003 31.692 31.700 -0.009 0.000 0.743 968 V N 3.472 123.309 119.914 -0.129 0.000 2.694 968 V HA -0.062 4.058 4.120 -0.000 0.000 0.306 968 V C 1.085 177.163 176.094 -0.026 0.000 1.054 968 V CA -0.202 61.985 62.300 -0.189 0.000 1.161 968 V CB -0.006 31.477 31.823 -0.567 0.000 0.916 968 V HN 0.598 nan 8.190 nan 0.000 0.490 969 N N 4.507 123.261 118.700 0.090 0.000 2.429 969 N HA -0.031 4.709 4.740 -0.000 0.000 0.271 969 N C 0.943 176.529 175.510 0.126 0.000 1.272 969 N CA 0.387 53.505 53.050 0.112 0.000 0.921 969 N CB 0.799 39.359 38.487 0.122 0.000 1.128 969 N HN 0.791 nan 8.380 nan 0.000 0.481 970 E N 2.203 122.443 120.200 0.066 0.000 2.265 970 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 970 E C 0.672 177.287 176.600 0.025 0.000 0.996 970 E CA 1.165 57.602 56.400 0.061 0.000 0.832 970 E CB 0.209 29.928 29.700 0.032 0.000 0.756 970 E HN 0.659 nan 8.360 nan 0.000 0.491 971 T N 0.916 115.470 114.554 -0.001 0.000 3.009 971 T HA -0.031 4.319 4.350 -0.000 0.000 0.258 971 T C 1.753 176.407 174.700 -0.077 0.000 1.063 971 T CA 0.159 62.243 62.100 -0.027 0.000 1.139 971 T CB 0.048 68.905 68.868 -0.019 0.000 0.890 971 T HN 0.020 nan 8.240 nan 0.000 0.471 972 L N 0.139 121.268 121.223 -0.157 0.000 2.209 972 L HA 0.224 4.564 4.340 -0.000 0.000 0.207 972 L C -0.295 176.166 176.870 -0.683 0.000 1.094 972 L CA 1.257 55.833 54.840 -0.440 0.000 0.790 972 L CB -0.116 41.596 42.059 -0.579 0.000 0.932 972 L HN 0.243 nan 8.230 nan 0.000 0.447 973 Y N -0.864 119.434 120.300 -0.003 0.000 2.562 973 Y HA 0.373 4.922 4.550 -0.002 0.000 0.363 973 Y C -1.811 174.108 175.900 0.032 0.000 0.991 973 Y CA -2.393 55.709 58.100 0.004 0.000 1.121 973 Y CB 0.075 38.506 38.460 -0.048 0.000 1.159 973 Y HN 0.065 nan 8.280 nan 0.000 0.651 974 P HA -0.158 nan 4.420 nan 0.000 0.215 974 P C 1.129 178.521 177.300 0.154 0.000 1.157 974 P CA 1.417 64.557 63.100 0.066 0.000 0.863 974 P CB 0.553 32.245 31.700 -0.014 0.000 0.787 975 E N -1.905 118.327 120.200 0.053 0.000 2.463 975 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 975 E C 1.559 177.880 176.600 -0.464 0.000 1.083 975 E CA 0.059 56.314 56.400 -0.243 0.000 0.872 975 E CB -1.112 28.427 29.700 -0.268 0.000 0.966 975 E HN 0.328 nan 8.360 nan 0.000 0.491 976 H N -0.689 118.233 119.070 -0.246 0.000 2.502 976 H HA -0.134 4.422 4.556 -0.001 0.000 0.283 976 H C 1.349 176.505 175.328 -0.287 0.000 1.015 976 H CA 1.236 57.131 56.048 -0.254 0.000 1.298 976 H CB 0.219 29.929 29.762 -0.086 0.000 1.411 976 H HN 0.438 nan 8.280 nan 0.000 0.556 977 Y N 0.863 121.059 120.300 -0.173 0.000 2.165 977 Y HA -0.111 4.439 4.550 0.000 0.000 0.286 977 Y C 2.367 177.888 175.900 -0.631 0.000 1.155 977 Y CA 0.887 58.834 58.100 -0.256 0.000 1.164 977 Y CB -0.804 37.568 38.460 -0.147 0.000 0.978 977 Y HN -0.088 nan 8.280 nan 0.000 0.513 978 R N 1.205 120.771 120.500 -1.558 0.000 2.316 978 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 978 R C 0.768 176.419 176.300 -1.083 0.000 1.137 978 R CA 1.319 56.455 56.100 -1.607 0.000 1.012 978 R CB -0.334 29.082 30.300 -1.473 0.000 0.859 978 R HN 0.446 nan 8.270 nan 0.000 0.474 979 K N 1.226 121.133 120.400 -0.822 0.000 3.165 979 K HA 0.027 4.347 4.320 -0.000 0.000 0.270 979 K C -0.865 175.548 176.600 -0.312 0.000 1.111 979 K CA -0.192 55.775 56.287 -0.533 0.000 1.216 979 K CB -0.057 32.072 32.500 -0.618 0.000 1.229 979 K HN 0.041 nan 8.250 nan 0.000 0.435 980 Y N 1.705 121.935 120.300 -0.116 0.000 2.987 980 Y HA -0.143 4.407 4.550 0.001 0.000 0.339 980 Y C 1.541 177.413 175.900 -0.046 0.000 1.272 980 Y CA -0.193 57.883 58.100 -0.040 0.000 1.562 980 Y CB -0.636 37.838 38.460 0.024 0.000 1.253 980 Y HN 0.359 nan 8.280 nan 0.000 0.604 981 S N 1.644 117.415 115.700 0.119 0.000 3.074 981 S HA 0.380 4.849 4.470 -0.000 0.000 0.359 981 S C 0.374 175.004 174.600 0.050 0.000 1.207 981 S CA 0.593 58.823 58.200 0.050 0.000 1.061 981 S CB -0.902 62.322 63.200 0.039 0.000 0.769 981 S HN 0.842 nan 8.310 nan 0.000 0.512 982 D N -0.339 120.073 120.400 0.021 0.000 2.756 982 D HA 0.685 5.325 4.640 -0.000 0.000 0.226 982 D C -0.108 176.191 176.300 -0.001 0.000 1.186 982 D CA -0.114 53.897 54.000 0.019 0.000 0.845 982 D CB 0.039 40.856 40.800 0.028 0.000 1.610 982 D HN 1.644 nan 8.370 nan 0.000 0.465 983 Y N 0.623 120.923 120.300 -0.000 0.000 2.815 983 Y HA 0.416 4.965 4.550 -0.000 0.000 0.346 983 Y C 1.047 176.933 175.900 -0.022 0.000 1.267 983 Y CA -0.019 58.075 58.100 -0.009 0.000 1.604 983 Y CB -1.012 37.448 38.460 -0.001 0.000 1.218 983 Y HN 0.629 nan 8.280 nan 0.000 0.527 984 I N 4.653 125.199 120.570 -0.041 0.000 2.792 984 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 984 I C 1.011 177.069 176.117 -0.100 0.000 1.166 984 I CA 0.520 61.779 61.300 -0.068 0.000 1.375 984 I CB -0.310 37.642 38.000 -0.079 0.000 1.421 984 I HN 0.855 nan 8.210 nan 0.000 0.544 985 K N 5.338 125.688 120.400 -0.084 0.000 2.472 985 K HA 0.319 4.639 4.320 -0.000 0.000 0.280 985 K C 1.039 177.483 176.600 -0.260 0.000 1.028 985 K CA 0.255 56.482 56.287 -0.100 0.000 1.045 985 K CB -0.153 32.328 32.500 -0.033 0.000 0.902 985 K HN 1.098 nan 8.250 nan 0.000 0.478 986 G N -0.314 108.189 108.800 -0.495 0.000 2.326 986 G HA2 0.285 4.245 3.960 -0.000 0.000 0.286 986 G HA3 0.285 4.245 3.960 -0.000 0.000 0.286 986 G C 0.200 174.545 174.900 -0.926 0.000 1.096 986 G CA 0.764 45.158 45.100 -1.176 0.000 1.003 986 G HN 2.004 nan 8.290 nan 0.000 0.503 987 S N -0.369 114.915 115.700 -0.695 0.000 2.532 987 S HA 0.739 5.208 4.470 -0.000 0.000 0.299 987 S C 0.493 174.984 174.600 -0.181 0.000 1.105 987 S CA -0.723 57.274 58.200 -0.339 0.000 1.018 987 S CB 0.877 63.965 63.200 -0.186 0.000 1.021 987 S HN 0.158 nan 8.310 nan 0.000 0.483 988 N N 2.166 120.801 118.700 -0.108 0.000 2.346 988 N HA 0.174 4.914 4.740 -0.000 0.000 0.225 988 N C 0.725 176.211 175.510 -0.040 0.000 1.144 988 N CA 0.044 53.078 53.050 -0.026 0.000 0.837 988 N CB 0.082 38.574 38.487 0.007 0.000 1.069 988 N HN 0.694 nan 8.380 nan 0.000 0.487 989 L N -0.654 120.542 121.223 -0.045 0.000 2.552 989 L HA 0.028 4.368 4.340 -0.000 0.000 0.227 989 L C 1.148 178.011 176.870 -0.013 0.000 1.146 989 L CA 0.676 55.499 54.840 -0.027 0.000 0.858 989 L CB 0.145 42.188 42.059 -0.027 0.000 0.969 989 L HN -0.088 nan 8.230 nan 0.000 0.451 990 D N 0.224 120.613 120.400 -0.019 0.000 2.389 990 D HA 0.149 4.789 4.640 -0.000 0.000 0.206 990 D C 1.022 177.310 176.300 -0.019 0.000 1.055 990 D CA 0.161 54.151 54.000 -0.016 0.000 0.856 990 D CB 0.398 41.186 40.800 -0.020 0.000 0.957 990 D HN 0.132 nan 8.370 nan 0.000 0.509 991 A N 2.406 125.212 122.820 -0.023 0.000 2.566 991 A HA 0.215 4.534 4.320 -0.000 0.000 0.245 991 A C -1.941 175.650 177.584 0.012 0.000 1.056 991 A CA -0.470 51.557 52.037 -0.017 0.000 0.757 991 A CB -0.211 18.790 19.000 0.001 0.000 0.979 991 A HN -0.007 nan 8.150 nan 0.000 0.508 992 P HA 0.215 nan 4.420 nan 0.000 0.274 992 P C -0.133 177.187 177.300 0.033 0.000 1.260 992 P CA -0.316 62.792 63.100 0.013 0.000 0.793 992 P CB 0.452 32.146 31.700 -0.010 0.000 1.048 993 E N 0.615 120.834 120.200 0.033 0.000 2.283 993 E HA 0.305 4.654 4.350 -0.000 0.000 0.271 993 E C -2.169 174.427 176.600 -0.007 0.000 1.031 993 E CA -1.835 54.593 56.400 0.047 0.000 0.868 993 E CB -0.176 29.559 29.700 0.059 0.000 1.094 993 E HN 0.337 nan 8.360 nan 0.000 0.401 994 P HA -0.002 nan 4.420 nan 0.000 0.274 994 P C -0.804 176.465 177.300 -0.052 0.000 1.246 994 P CA -0.332 62.702 63.100 -0.110 0.000 0.795 994 P CB 0.235 31.893 31.700 -0.070 0.000 1.006 995 Y N 0.317 120.514 120.300 -0.171 0.000 3.073 995 Y HA -0.100 4.450 4.550 0.000 0.000 0.343 995 Y C 1.662 177.487 175.900 -0.125 0.000 1.274 995 Y CA 0.744 58.740 58.100 -0.173 0.000 1.554 995 Y CB -0.326 37.974 38.460 -0.267 0.000 1.250 995 Y HN 0.144 nan 8.280 nan 0.000 0.622 996 R N 3.480 123.978 120.500 -0.003 0.000 2.582 996 R HA 0.460 4.800 4.340 -0.000 0.000 0.271 996 R C -0.493 175.822 176.300 0.025 0.000 1.078 996 R CA -0.434 55.589 56.100 -0.128 0.000 1.127 996 R CB 0.622 30.537 30.300 -0.642 0.000 1.038 996 R HN 0.634 nan 8.270 nan 0.000 0.500 997 I N -0.160 120.486 120.570 0.127 0.000 2.608 997 I HA 0.548 4.718 4.170 -0.000 0.000 0.295 997 I C 0.347 176.676 176.117 0.353 0.000 1.049 997 I CA -0.708 60.678 61.300 0.145 0.000 1.063 997 I CB 2.559 40.501 38.000 -0.096 0.000 1.248 997 I HN 0.613 nan 8.210 nan 0.000 0.424 998 G N 2.959 111.948 108.800 0.316 0.000 2.704 998 G HA2 0.646 4.606 3.960 -0.000 0.000 0.293 998 G HA3 0.646 4.606 3.960 -0.000 0.000 0.293 998 G C -1.907 173.142 174.900 0.249 0.000 1.421 998 G CA -0.789 44.475 45.100 0.273 0.000 0.870 998 G HN 0.470 nan 8.290 nan 0.000 0.492 999 R N 0.801 121.385 120.500 0.140 0.000 2.265 999 R HA 0.477 4.817 4.340 -0.000 0.000 0.319 999 R C 0.803 177.185 176.300 0.137 0.000 1.006 999 R CA -0.849 55.383 56.100 0.219 0.000 0.880 999 R CB 0.574 31.028 30.300 0.257 0.000 1.077 999 R HN 0.646 nan 8.270 nan 0.000 0.454 1000 I N 2.445 123.094 120.570 0.133 0.000 2.505 1000 I HA 0.129 4.299 4.170 -0.000 0.000 0.287 1000 I C 0.641 176.802 176.117 0.073 0.000 1.104 1000 I CA 0.088 61.421 61.300 0.055 0.000 1.387 1000 I CB 1.248 39.275 38.000 0.045 0.000 1.404 1000 I HN 0.783 nan 8.210 nan 0.000 0.528 1001 K N 5.559 125.939 120.400 -0.034 0.000 2.141 1001 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 1001 K C 0.081 176.680 176.600 -0.002 0.000 1.045 1001 K CA 0.656 56.924 56.287 -0.032 0.000 0.971 1001 K CB 0.415 32.695 32.500 -0.367 0.000 0.795 1001 K HN 0.846 nan 8.250 nan 0.000 0.459 1002 E N 0.354 120.523 120.200 -0.052 0.000 2.356 1002 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 1002 E C -1.297 175.222 176.600 -0.134 0.000 0.904 1002 E CA -0.589 55.797 56.400 -0.023 0.000 0.757 1002 E CB 2.678 32.411 29.700 0.055 0.000 1.232 1002 E HN 0.090 nan 8.360 nan 0.000 0.442 1003 I N 2.735 123.205 120.570 -0.167 0.000 2.465 1003 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 1003 I C -0.626 175.263 176.117 -0.379 0.000 1.014 1003 I CA -0.851 60.263 61.300 -0.309 0.000 1.093 1003 I CB 1.243 39.092 38.000 -0.252 0.000 1.267 1003 I HN 0.490 nan 8.210 nan 0.000 0.431 1004 H N 4.329 123.128 119.070 -0.453 0.000 2.947 1004 H HA 0.639 5.195 4.556 -0.000 0.000 0.354 1004 H C -1.172 173.993 175.328 -0.272 0.000 1.085 1004 H CA -0.944 54.792 56.048 -0.521 0.000 1.253 1004 H CB 0.893 30.006 29.762 -1.082 0.000 1.757 1004 H HN 0.891 nan 8.280 nan 0.000 0.523 1005 C N 1.863 121.122 119.300 -0.068 0.000 2.358 1005 C HA 0.865 5.325 4.460 -0.000 0.000 0.354 1005 C C 1.384 176.391 174.990 0.029 0.000 1.183 1005 C CA 0.160 59.154 59.018 -0.040 0.000 2.150 1005 C CB 0.935 28.647 27.740 -0.046 0.000 2.361 1005 C HN 0.957 nan 8.230 nan 0.000 0.535 1006 G N 0.405 109.219 108.800 0.023 0.000 2.535 1006 G HA2 0.793 4.753 3.960 -0.000 0.000 0.282 1006 G HA3 0.793 4.753 3.960 -0.000 0.000 0.282 1006 G C -0.134 174.780 174.900 0.024 0.000 1.350 1006 G CA 0.729 45.848 45.100 0.033 0.000 1.039 1006 G HN 1.542 nan 8.290 nan 0.000 0.509 1007 K N -2.028 118.385 120.400 0.021 0.000 2.435 1007 K HA 0.951 5.271 4.320 -0.000 0.000 0.251 1007 K C -0.531 176.076 176.600 0.012 0.000 0.954 1007 K CA -0.247 56.050 56.287 0.017 0.000 0.820 1007 K CB 1.436 33.947 32.500 0.019 0.000 1.292 1007 K HN 1.595 nan 8.250 nan 0.000 0.436 1008 K N -0.220 120.185 120.400 0.009 0.000 2.571 1008 K HA 0.755 5.075 4.320 -0.000 0.000 0.252 1008 K C 0.407 177.010 176.600 0.006 0.000 0.956 1008 K CA 0.531 56.822 56.287 0.007 0.000 0.822 1008 K CB 0.190 32.694 32.500 0.006 0.000 1.286 1008 K HN 2.394 nan 8.250 nan 0.000 0.439 1009 K N 0.032 120.434 120.400 0.005 0.000 3.071 1009 K HA 0.116 4.436 4.320 -0.000 0.000 0.265 1009 K C 2.047 178.649 176.600 0.004 0.000 1.060 1009 K CA 2.213 58.502 56.287 0.004 0.000 0.767 1009 K CB -2.714 29.788 32.500 0.003 0.000 1.241 1009 K HN 2.895 nan 8.250 nan 0.000 0.486 1010 G N -3.819 104.984 108.800 0.005 0.000 2.168 1010 G HA2 0.244 4.204 3.960 -0.000 0.000 0.263 1010 G HA3 0.244 4.204 3.960 -0.000 0.000 0.263 1010 G C 0.533 175.437 174.900 0.007 0.000 0.977 1010 G CA 1.955 47.058 45.100 0.006 0.000 0.659 1010 G HN 2.348 nan 8.290 nan 0.000 0.533 1011 K N -0.318 120.086 120.400 0.008 0.000 2.306 1011 K HA 0.904 5.224 4.320 -0.000 0.000 0.236 1011 K C 0.341 176.948 176.600 0.010 0.000 1.013 1011 K CA -0.039 56.253 56.287 0.009 0.000 0.857 1011 K CB 1.405 33.909 32.500 0.007 0.000 1.214 1011 K HN 1.039 nan 8.250 nan 0.000 0.449 1012 V N 2.293 122.213 119.914 0.011 0.000 2.585 1012 V HA 0.065 4.185 4.120 -0.000 0.000 0.296 1012 V C 0.725 176.824 176.094 0.008 0.000 1.035 1012 V CA -0.423 61.883 62.300 0.011 0.000 1.084 1012 V CB 0.848 32.677 31.823 0.010 0.000 0.953 1012 V HN 0.898 nan 8.190 nan 0.000 0.483 1013 N N 3.782 122.487 118.700 0.008 0.000 2.558 1013 N HA 0.145 4.885 4.740 -0.000 0.000 0.233 1013 N C 0.800 176.313 175.510 0.005 0.000 1.038 1013 N CA -0.402 52.652 53.050 0.007 0.000 0.934 1013 N CB 0.697 39.189 38.487 0.008 0.000 1.175 1013 N HN 0.706 nan 8.380 nan 0.000 0.512 1014 E N 2.099 122.304 120.200 0.009 0.000 2.338 1014 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 1014 E C 1.376 177.996 176.600 0.034 0.000 1.007 1014 E CA 0.560 56.970 56.400 0.017 0.000 0.849 1014 E CB 0.159 29.875 29.700 0.026 0.000 0.774 1014 E HN 0.651 nan 8.360 nan 0.000 0.506 1015 A N 1.030 123.863 122.820 0.022 0.000 2.238 1015 A HA -0.058 4.262 4.320 -0.000 0.000 0.208 1015 A C 0.734 178.326 177.584 0.013 0.000 1.177 1015 A CA 0.481 52.530 52.037 0.019 0.000 0.804 1015 A CB 0.242 19.246 19.000 0.008 0.000 0.823 1015 A HN 0.008 nan 8.150 nan 0.000 0.482 1016 D N -0.001 120.404 120.400 0.009 0.000 2.879 1016 D HA 0.319 4.959 4.640 -0.000 0.000 0.351 1016 D C -0.730 175.553 176.300 -0.028 0.000 1.239 1016 D CA -0.239 53.758 54.000 -0.004 0.000 0.771 1016 D CB -0.247 40.552 40.800 -0.001 0.000 1.176 1016 D HN 0.281 nan 8.370 nan 0.000 0.496 1017 I N 1.093 121.648 120.570 -0.024 0.000 2.353 1017 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 1017 I C 0.607 176.641 176.117 -0.138 0.000 0.992 1017 I CA -0.454 60.782 61.300 -0.107 0.000 1.268 1017 I CB 1.262 39.184 38.000 -0.129 0.000 1.387 1017 I HN -0.224 nan 8.210 nan 0.000 0.478 1018 K N 6.462 126.666 120.400 -0.327 0.000 2.340 1018 K HA 0.729 5.049 4.320 -0.000 0.000 0.244 1018 K C -1.299 175.012 176.600 -0.482 0.000 0.973 1018 K CA -0.878 55.186 56.287 -0.371 0.000 0.828 1018 K CB 2.783 35.045 32.500 -0.396 0.000 1.226 1018 K HN 0.436 nan 8.250 nan 0.000 0.437 1019 L N 2.121 123.158 121.223 -0.310 0.000 2.376 1019 L HA 0.448 4.787 4.340 -0.000 0.000 0.275 1019 L C -0.497 176.249 176.870 -0.206 0.000 0.987 1019 L CA -0.989 53.698 54.840 -0.255 0.000 0.828 1019 L CB 1.769 43.740 42.059 -0.147 0.000 1.249 1019 L HN 0.413 nan 8.230 nan 0.000 0.409 1020 R N 4.065 124.447 120.500 -0.197 0.000 2.196 1020 R HA 0.627 4.967 4.340 -0.000 0.000 0.340 1020 R C -1.490 174.667 176.300 -0.237 0.000 1.043 1020 R CA 0.083 56.077 56.100 -0.178 0.000 0.883 1020 R CB 0.168 30.399 30.300 -0.114 0.000 1.078 1020 R HN 0.540 nan 8.270 nan 0.000 0.462 1021 L N 4.625 125.678 121.223 -0.283 0.000 2.342 1021 L HA 0.474 4.814 4.340 -0.000 0.000 0.271 1021 L C -0.721 175.875 176.870 -0.457 0.000 1.008 1021 L CA -1.296 53.367 54.840 -0.296 0.000 0.818 1021 L CB 1.539 43.482 42.059 -0.194 0.000 1.296 1021 L HN 0.511 nan 8.230 nan 0.000 0.427 1022 Y N 1.651 121.739 120.300 -0.353 0.000 2.452 1022 Y HA 0.198 4.747 4.550 -0.000 0.000 0.348 1022 Y C 0.426 175.887 175.900 -0.732 0.000 0.985 1022 Y CA -0.446 57.291 58.100 -0.605 0.000 1.214 1022 Y CB 0.374 38.286 38.460 -0.913 0.000 1.136 1022 Y HN 0.342 nan 8.280 nan 0.000 0.523 1023 K N 3.004 123.074 120.400 -0.549 0.000 2.485 1023 K HA 0.070 4.390 4.320 -0.000 0.000 0.277 1023 K C -1.073 175.278 176.600 -0.416 0.000 0.990 1023 K CA 0.422 56.398 56.287 -0.519 0.000 0.994 1023 K CB 0.324 32.478 32.500 -0.576 0.000 0.906 1023 K HN 0.389 nan 8.250 nan 0.000 0.488 1024 F N 2.163 122.092 119.950 -0.036 0.000 2.458 1024 F HA 0.238 4.765 4.527 -0.000 0.000 0.336 1024 F C -0.291 175.621 175.800 0.186 0.000 1.114 1024 F CA -0.675 57.344 58.000 0.031 0.000 0.987 1024 F CB 0.880 39.886 39.000 0.009 0.000 1.130 1024 F HN 0.347 nan 8.300 nan 0.000 0.458 1025 Y N 3.608 124.157 120.300 0.414 0.000 2.336 1025 Y HA 0.390 4.940 4.550 -0.000 0.000 0.335 1025 Y C 0.679 176.683 175.900 0.174 0.000 1.046 1025 Y CA -0.296 57.931 58.100 0.213 0.000 1.198 1025 Y CB 0.724 39.262 38.460 0.130 0.000 1.182 1025 Y HN 0.383 nan 8.280 nan 0.000 0.502 1026 R N 5.190 125.806 120.500 0.192 0.000 2.490 1026 R HA 0.103 4.443 4.340 -0.000 0.000 0.280 1026 R C -1.658 174.694 176.300 0.088 0.000 1.077 1026 R CA -1.456 54.710 56.100 0.110 0.000 1.065 1026 R CB 0.396 30.746 30.300 0.083 0.000 1.003 1026 R HN 0.442 nan 8.270 nan 0.000 0.470 1027 P HA -0.271 nan 4.420 nan 0.000 0.216 1027 P C 0.762 178.051 177.300 -0.019 0.000 1.154 1027 P CA 1.411 64.540 63.100 0.048 0.000 0.865 1027 P CB 0.102 31.783 31.700 -0.032 0.000 0.789 1028 E N -0.519 119.650 120.200 -0.052 0.000 2.515 1028 E HA -0.157 4.193 4.350 -0.000 0.000 0.201 1028 E C 0.931 177.389 176.600 -0.237 0.000 1.071 1028 E CA 1.009 57.295 56.400 -0.190 0.000 0.880 1028 E CB -1.207 28.384 29.700 -0.182 0.000 0.828 1028 E HN 0.409 nan 8.360 nan 0.000 0.540 1029 N N 0.835 119.453 118.700 -0.136 0.000 2.405 1029 N HA -0.040 4.700 4.740 -0.000 0.000 0.175 1029 N C 0.874 176.326 175.510 -0.096 0.000 1.051 1029 N CA 0.740 53.683 53.050 -0.178 0.000 0.899 1029 N CB 0.302 38.559 38.487 -0.383 0.000 1.000 1029 N HN 0.304 nan 8.380 nan 0.000 0.451 1030 T N -0.790 113.646 114.554 -0.196 0.000 2.681 1030 T HA -0.075 4.275 4.350 -0.000 0.000 0.333 1030 T C 1.490 176.097 174.700 -0.156 0.000 1.049 1030 T CA -0.117 61.735 62.100 -0.413 0.000 1.002 1030 T CB 0.263 68.585 68.868 -0.910 0.000 1.161 1030 T HN 0.243 nan 8.240 nan 0.000 0.519 1031 H N -0.661 118.381 119.070 -0.046 0.000 2.462 1031 H HA 0.034 4.590 4.556 -0.000 0.000 0.292 1031 H C 2.429 177.745 175.328 -0.021 0.000 1.049 1031 H CA 1.232 57.289 56.048 0.015 0.000 1.334 1031 H CB -1.094 28.716 29.762 0.080 0.000 1.404 1031 H HN 0.715 nan 8.280 nan 0.000 0.544 1032 R N 1.723 121.842 120.500 -0.634 0.000 2.200 1032 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 1032 R C 1.525 177.679 176.300 -0.244 0.000 1.127 1032 R CA 1.304 57.158 56.100 -0.410 0.000 0.989 1032 R CB -1.179 28.884 30.300 -0.396 0.000 0.869 1032 R HN 0.626 nan 8.270 nan 0.000 0.459 1033 S N -3.169 112.386 115.700 -0.241 0.000 3.307 1033 S HA -0.246 4.224 4.470 -0.000 0.000 0.634 1033 S C 1.073 175.491 174.600 -0.303 0.000 2.711 1033 S CA 0.846 58.873 58.200 -0.288 0.000 2.940 1033 S CB -1.320 61.779 63.200 -0.168 0.000 0.331 1033 S HN 0.756 nan 8.310 nan 0.000 1.766 1034 Y N 1.887 122.128 120.300 -0.098 0.000 2.097 1034 Y HA -0.092 4.458 4.550 -0.000 0.000 0.282 1034 Y C 2.365 177.923 175.900 -0.570 0.000 1.152 1034 Y CA 1.902 59.918 58.100 -0.140 0.000 1.136 1034 Y CB -0.766 37.718 38.460 0.039 0.000 0.975 1034 Y HN 0.581 nan 8.280 nan 0.000 0.498 1035 N N -0.339 118.097 118.700 -0.439 0.000 2.322 1035 N HA -0.170 4.570 4.740 -0.000 0.000 0.189 1035 N C 1.829 176.983 175.510 -0.594 0.000 1.012 1035 N CA 1.184 53.783 53.050 -0.750 0.000 0.880 1035 N CB -0.461 37.875 38.487 -0.251 0.000 0.967 1035 N HN 0.503 nan 8.380 nan 0.000 0.439 1036 G N -0.706 107.867 108.800 -0.379 0.000 2.921 1036 G HA2 0.156 4.116 3.960 -0.000 0.000 0.213 1036 G HA3 0.156 4.116 3.960 -0.000 0.000 0.213 1036 G C 1.285 176.085 174.900 -0.167 0.000 1.143 1036 G CA 0.565 45.511 45.100 -0.256 0.000 0.764 1036 G HN 0.391 nan 8.290 nan 0.000 0.542 1037 S N -0.287 115.329 115.700 -0.140 0.000 2.554 1037 S HA 0.390 4.859 4.470 -0.000 0.000 0.226 1037 S C 1.430 176.159 174.600 0.215 0.000 0.980 1037 S CA -0.597 57.622 58.200 0.031 0.000 0.939 1037 S CB -0.359 62.872 63.200 0.051 0.000 0.832 1037 S HN 0.400 nan 8.310 nan 0.000 0.486 1038 Y N 0.604 121.010 120.300 0.177 0.000 2.165 1038 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 1038 Y C 2.129 178.238 175.900 0.348 0.000 1.155 1038 Y CA 1.141 59.403 58.100 0.269 0.000 1.164 1038 Y CB -0.060 38.591 38.460 0.317 0.000 0.978 1038 Y HN 0.545 nan 8.280 nan 0.000 0.513 1039 H N -0.870 118.347 119.070 0.245 0.000 2.551 1039 H HA 0.066 4.621 4.556 -0.002 0.000 0.271 1039 H C 0.889 176.319 175.328 0.169 0.000 0.984 1039 H CA 0.108 56.266 56.048 0.183 0.000 1.164 1039 H CB 0.302 30.143 29.762 0.132 0.000 1.437 1039 H HN 0.174 nan 8.280 nan 0.000 0.550 1040 T N -0.842 113.875 114.554 0.273 0.000 2.918 1040 T HA 0.084 4.434 4.350 -0.000 0.000 0.283 1040 T C 0.110 174.929 174.700 0.199 0.000 1.001 1040 T CA -1.063 61.148 62.100 0.186 0.000 1.041 1040 T CB 1.740 70.659 68.868 0.085 0.000 1.028 1040 T HN -0.062 nan 8.240 nan 0.000 0.511 1041 D N 1.313 121.824 120.400 0.185 0.000 2.425 1041 D HA 0.117 4.757 4.640 -0.000 0.000 0.247 1041 D C 1.620 177.853 176.300 -0.111 0.000 1.147 1041 D CA -0.351 53.742 54.000 0.156 0.000 0.879 1041 D CB 0.595 41.571 40.800 0.292 0.000 1.179 1041 D HN 0.684 nan 8.370 nan 0.000 0.456 1042 I N 0.222 120.500 120.570 -0.487 0.000 2.567 1042 I HA -0.201 3.969 4.170 -0.000 0.000 0.257 1042 I C 1.263 177.286 176.117 -0.156 0.000 1.184 1042 I CA 0.912 61.962 61.300 -0.417 0.000 1.451 1042 I CB -0.326 37.165 38.000 -0.848 0.000 1.089 1042 I HN 0.147 nan 8.210 nan 0.000 0.441 1043 N N 1.181 119.738 118.700 -0.239 0.000 2.270 1043 N HA 0.085 4.825 4.740 -0.000 0.000 0.198 1043 N C 0.358 175.872 175.510 0.008 0.000 1.117 1043 N CA -0.083 52.901 53.050 -0.110 0.000 0.845 1043 N CB 0.086 38.394 38.487 -0.299 0.000 0.980 1043 N HN 0.430 nan 8.380 nan 0.000 0.486 1044 M N 1.386 120.879 119.600 -0.179 0.000 2.188 1044 M HA 0.339 4.819 4.480 -0.000 0.000 0.357 1044 M C -1.374 174.749 176.300 -0.295 0.000 1.204 1044 M CA -0.388 54.569 55.300 -0.573 0.000 1.095 1044 M CB 1.003 33.229 32.600 -0.624 0.000 1.604 1044 M HN -0.030 nan 8.290 nan 0.000 0.464 1045 L N 4.145 125.220 121.223 -0.248 0.000 2.323 1045 L HA 0.503 4.843 4.340 -0.000 0.000 0.265 1045 L C -1.537 175.398 176.870 0.109 0.000 1.012 1045 L CA -0.991 53.816 54.840 -0.055 0.000 0.820 1045 L CB 2.134 44.133 42.059 -0.098 0.000 1.334 1045 L HN 0.560 nan 8.230 nan 0.000 0.427 1046 Y N 0.595 121.131 120.300 0.395 0.000 2.328 1046 Y HA 0.199 4.749 4.550 -0.001 0.000 0.337 1046 Y C -0.204 176.036 175.900 0.567 0.000 0.966 1046 Y CA -1.004 57.384 58.100 0.481 0.000 1.136 1046 Y CB 1.319 40.006 38.460 0.379 0.000 1.170 1046 Y HN 0.446 nan 8.280 nan 0.000 0.470 1047 W N 5.040 126.614 121.300 0.457 0.000 2.190 1047 W HA 0.411 5.071 4.660 -0.001 0.000 0.330 1047 W C -0.494 176.060 176.519 0.060 0.000 1.299 1047 W CA -0.091 57.266 57.345 0.021 0.000 1.215 1047 W CB 1.372 30.589 29.460 -0.405 0.000 1.147 1047 W HN 0.616 nan 8.180 nan 0.000 0.563 1048 S N 3.270 118.671 115.700 -0.499 0.000 2.667 1048 S HA 0.321 4.791 4.470 -0.000 0.000 0.292 1048 S C -0.310 174.050 174.600 -0.400 0.000 1.126 1048 S CA -0.737 57.381 58.200 -0.135 0.000 0.881 1048 S CB 2.350 65.649 63.200 0.165 0.000 1.132 1048 S HN 0.467 nan 8.310 nan 0.000 0.492 1049 D N 0.584 121.005 120.400 0.034 0.000 2.402 1049 D HA 0.189 4.829 4.640 -0.000 0.000 0.216 1049 D C -0.469 175.884 176.300 0.089 0.000 1.128 1049 D CA 0.099 54.203 54.000 0.173 0.000 0.833 1049 D CB 0.317 41.285 40.800 0.279 0.000 0.971 1049 D HN 0.629 nan 8.370 nan 0.000 0.503 1050 E N 1.381 121.572 120.200 -0.014 0.000 2.299 1050 E HA 0.133 4.483 4.350 -0.000 0.000 0.272 1050 E C 0.085 176.564 176.600 -0.202 0.000 1.043 1050 E CA 0.367 56.726 56.400 -0.067 0.000 0.895 1050 E CB 1.201 30.891 29.700 -0.016 0.000 1.011 1050 E HN 0.179 nan 8.360 nan 0.000 0.432 1051 E N 0.951 121.025 120.200 -0.210 0.000 2.239 1051 E HA 0.721 5.071 4.350 -0.000 0.000 0.261 1051 E C -0.864 175.528 176.600 -0.347 0.000 1.016 1051 E CA -0.912 55.299 56.400 -0.316 0.000 0.882 1051 E CB 1.747 31.278 29.700 -0.282 0.000 1.190 1051 E HN 0.522 nan 8.360 nan 0.000 0.415 1052 A N 0.541 123.137 122.820 -0.374 0.000 2.605 1052 A HA 0.496 4.816 4.320 -0.000 0.000 0.294 1052 A C -1.532 175.920 177.584 -0.219 0.000 1.062 1052 A CA -0.672 51.180 52.037 -0.307 0.000 0.682 1052 A CB 1.135 19.866 19.000 -0.448 0.000 1.278 1052 A HN 0.268 nan 8.150 nan 0.000 0.410 1053 V N 0.596 120.430 119.914 -0.133 0.000 2.483 1053 V HA 0.762 4.881 4.120 -0.000 0.000 0.295 1053 V C -0.231 175.824 176.094 -0.066 0.000 1.035 1053 V CA -0.574 61.667 62.300 -0.098 0.000 0.896 1053 V CB 1.369 33.157 31.823 -0.058 0.000 0.986 1053 V HN 0.819 nan 8.190 nan 0.000 0.447 1054 V N 2.831 122.701 119.914 -0.073 0.000 3.007 1054 V HA 0.444 4.564 4.120 -0.000 0.000 0.311 1054 V C -0.418 175.639 176.094 -0.062 0.000 1.120 1054 V CA -0.867 61.407 62.300 -0.043 0.000 0.980 1054 V CB 2.533 34.352 31.823 -0.007 0.000 1.033 1054 V HN 0.911 nan 8.190 nan 0.000 0.429 1055 N N 1.895 120.565 118.700 -0.050 0.000 2.444 1055 N HA 0.188 4.928 4.740 -0.000 0.000 0.271 1055 N C 0.629 176.125 175.510 -0.022 0.000 1.069 1055 N CA -0.110 52.914 53.050 -0.042 0.000 0.965 1055 N CB 1.117 39.576 38.487 -0.047 0.000 1.092 1055 N HN 0.780 nan 8.380 nan 0.000 0.476 1056 F N 3.032 122.880 119.950 -0.170 0.000 2.494 1056 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 1056 F C 2.276 177.971 175.800 -0.176 0.000 1.106 1056 F CA 0.976 58.854 58.000 -0.204 0.000 1.452 1056 F CB 0.334 39.204 39.000 -0.217 0.000 1.085 1056 F HN 0.537 nan 8.300 nan 0.000 0.569 1057 S N -1.355 114.211 115.700 -0.223 0.000 2.489 1057 S HA -0.122 4.348 4.470 -0.000 0.000 0.228 1057 S C 1.388 175.832 174.600 -0.261 0.000 0.995 1057 S CA 1.007 59.039 58.200 -0.280 0.000 0.934 1057 S CB -0.302 62.812 63.200 -0.144 0.000 0.771 1057 S HN 0.362 nan 8.310 nan 0.000 0.522 1058 D N 1.263 121.536 120.400 -0.212 0.000 2.349 1058 D HA 0.202 4.842 4.640 -0.000 0.000 0.215 1058 D C 0.089 176.259 176.300 -0.216 0.000 1.016 1058 D CA 0.065 53.959 54.000 -0.177 0.000 0.870 1058 D CB 0.180 40.904 40.800 -0.126 0.000 0.917 1058 D HN 0.245 nan 8.370 nan 0.000 0.524 1059 V N 2.269 122.010 119.914 -0.288 0.000 2.599 1059 V HA -0.062 4.058 4.120 -0.000 0.000 0.300 1059 V C 1.378 177.324 176.094 -0.246 0.000 1.034 1059 V CA 0.406 62.540 62.300 -0.276 0.000 1.115 1059 V CB 1.375 32.968 31.823 -0.383 0.000 0.934 1059 V HN 0.052 nan 8.190 nan 0.000 0.485 1060 Q N 3.166 122.837 119.800 -0.216 0.000 2.373 1060 Q HA 0.301 4.641 4.340 -0.000 0.000 0.210 1060 Q C 0.822 176.821 176.000 -0.000 0.000 0.913 1060 Q CA 0.885 56.567 55.803 -0.202 0.000 0.911 1060 Q CB 1.204 29.592 28.738 -0.584 0.000 1.040 1060 Q HN 0.976 nan 8.270 nan 0.000 0.521 1061 G N -0.020 108.854 108.800 0.123 0.000 2.328 1061 G HA2 0.289 4.249 3.960 -0.000 0.000 0.295 1061 G HA3 0.289 4.249 3.960 -0.000 0.000 0.295 1061 G C -1.654 173.390 174.900 0.240 0.000 1.413 1061 G CA -0.950 44.308 45.100 0.264 0.000 0.817 1061 G HN -0.039 nan 8.290 nan 0.000 0.546 1062 R N -0.903 119.657 120.500 0.100 0.000 2.457 1062 R HA 0.702 5.042 4.340 -0.000 0.000 0.284 1062 R C 0.178 176.328 176.300 -0.249 0.000 1.024 1062 R CA 0.029 56.089 56.100 -0.068 0.000 1.025 1062 R CB 0.881 31.003 30.300 -0.297 0.000 1.063 1062 R HN 1.020 nan 8.270 nan 0.000 0.493 1063 C N -0.485 118.612 119.300 -0.339 0.000 3.259 1063 C HA 0.724 5.184 4.460 -0.000 0.000 0.328 1063 C C -0.462 174.509 174.990 -0.031 0.000 1.425 1063 C CA -0.802 58.054 59.018 -0.270 0.000 1.465 1063 C CB 1.583 28.966 27.740 -0.596 0.000 1.890 1063 C HN 0.679 nan 8.230 nan 0.000 0.450 1064 T N 1.383 116.006 114.554 0.115 0.000 2.779 1064 T HA 0.635 4.985 4.350 -0.000 0.000 0.280 1064 T C -0.729 174.163 174.700 0.320 0.000 0.987 1064 T CA -0.216 62.011 62.100 0.212 0.000 0.966 1064 T CB 1.232 70.252 68.868 0.253 0.000 0.933 1064 T HN 0.715 nan 8.240 nan 0.000 0.442 1065 V N 4.223 124.316 119.914 0.299 0.000 2.443 1065 V HA 0.480 4.600 4.120 -0.000 0.000 0.293 1065 V C -0.474 175.880 176.094 0.433 0.000 1.021 1065 V CA -0.833 61.680 62.300 0.354 0.000 0.848 1065 V CB 1.731 33.627 31.823 0.122 0.000 0.998 1065 V HN 0.751 nan 8.190 nan 0.000 0.424 1066 E N 2.422 122.822 120.200 0.332 0.000 2.238 1066 E HA 0.312 4.662 4.350 -0.000 0.000 0.267 1066 E C -0.973 175.496 176.600 -0.220 0.000 0.887 1066 E CA -0.823 55.636 56.400 0.099 0.000 0.769 1066 E CB 2.720 32.309 29.700 -0.185 0.000 1.187 1066 E HN 0.680 nan 8.360 nan 0.000 0.416 1067 Y N 1.424 121.412 120.300 -0.520 0.000 2.632 1067 Y HA 0.032 4.582 4.550 0.000 0.000 0.329 1067 Y C 1.570 177.159 175.900 -0.519 0.000 1.174 1067 Y CA 0.604 58.113 58.100 -0.985 0.000 1.469 1067 Y CB 0.715 38.904 38.460 -0.453 0.000 1.242 1067 Y HN 0.761 nan 8.280 nan 0.000 0.540 1068 G N 4.799 113.055 108.800 -0.906 0.000 2.672 1068 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 1068 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 1068 G C 1.237 175.725 174.900 -0.688 0.000 1.238 1068 G CA 1.323 46.035 45.100 -0.646 0.000 0.791 1068 G HN 0.763 nan 8.290 nan 0.000 0.606 1069 E N 0.557 120.169 120.200 -0.981 0.000 2.110 1069 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 1069 E C 2.105 178.543 176.600 -0.270 0.000 0.988 1069 E CA 1.241 57.330 56.400 -0.519 0.000 0.804 1069 E CB -0.507 28.967 29.700 -0.376 0.000 0.745 1069 E HN 0.539 nan 8.360 nan 0.000 0.458 1070 D N 0.526 120.812 120.400 -0.192 0.000 2.265 1070 D HA -0.115 4.524 4.640 -0.000 0.000 0.208 1070 D C 0.834 177.079 176.300 -0.091 0.000 0.977 1070 D CA 0.797 54.802 54.000 0.008 0.000 0.871 1070 D CB -0.014 40.876 40.800 0.150 0.000 0.925 1070 D HN 0.083 nan 8.370 nan 0.000 0.485 1071 L N 0.089 121.192 121.223 -0.199 0.000 2.453 1071 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 1071 L C 1.676 178.468 176.870 -0.130 0.000 1.182 1071 L CA 0.500 55.213 54.840 -0.211 0.000 0.858 1071 L CB -0.758 41.092 42.059 -0.348 0.000 1.120 1071 L HN 0.258 nan 8.230 nan 0.000 0.474 1072 L N 1.827 122.999 121.223 -0.085 0.000 2.627 1072 L HA 0.450 4.790 4.340 -0.000 0.000 0.233 1072 L C 0.892 177.738 176.870 -0.040 0.000 1.144 1072 L CA 1.220 56.031 54.840 -0.048 0.000 0.892 1072 L CB -2.036 40.010 42.059 -0.023 0.000 1.039 1072 L HN 1.046 nan 8.230 nan 0.000 0.442 1073 E N -2.048 118.121 120.200 -0.052 0.000 2.433 1073 E HA 0.784 5.134 4.350 -0.000 0.000 0.264 1073 E C 0.134 176.703 176.600 -0.051 0.000 0.960 1073 E CA -0.276 56.105 56.400 -0.030 0.000 0.866 1073 E CB 0.594 30.299 29.700 0.009 0.000 1.615 1073 E HN 0.289 nan 8.360 nan 0.000 0.442 1074 S N 0.295 115.976 115.700 -0.032 0.000 2.576 1074 S HA 0.245 4.715 4.470 -0.000 0.000 0.276 1074 S C 1.056 175.629 174.600 -0.045 0.000 1.339 1074 S CA -0.492 57.678 58.200 -0.050 0.000 1.039 1074 S CB -0.254 62.925 63.200 -0.035 0.000 0.902 1074 S HN 0.491 nan 8.310 nan 0.000 0.516 1075 I N 1.811 122.310 120.570 -0.118 0.000 2.151 1075 I HA -0.318 3.851 4.170 -0.000 0.000 0.243 1075 I C 3.317 179.423 176.117 -0.017 0.000 1.080 1075 I CA 2.135 63.336 61.300 -0.164 0.000 1.339 1075 I CB -0.698 37.051 38.000 -0.417 0.000 1.039 1075 I HN 0.872 nan 8.210 nan 0.000 0.409 1076 Q N 0.253 120.037 119.800 -0.025 0.000 2.084 1076 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 1076 Q C 1.843 177.855 176.000 0.021 0.000 0.978 1076 Q CA 2.028 57.838 55.803 0.011 0.000 0.844 1076 Q CB -0.939 27.793 28.738 -0.010 0.000 0.898 1076 Q HN 0.504 nan 8.270 nan 0.000 0.426 1077 D N -1.069 119.344 120.400 0.021 0.000 2.104 1077 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 1077 D C 1.703 178.043 176.300 0.068 0.000 0.994 1077 D CA 1.666 55.685 54.000 0.031 0.000 0.830 1077 D CB -0.443 40.373 40.800 0.026 0.000 0.959 1077 D HN 0.749 nan 8.370 nan 0.000 0.452 1078 Y N 1.928 122.210 120.300 -0.029 0.000 2.097 1078 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 1078 Y C 2.526 178.440 175.900 0.024 0.000 1.152 1078 Y CA 2.285 60.380 58.100 -0.009 0.000 1.136 1078 Y CB -0.178 38.261 38.460 -0.033 0.000 0.975 1078 Y HN -0.117 nan 8.280 nan 0.000 0.498 1079 S N 0.057 115.651 115.700 -0.177 0.000 2.370 1079 S HA -0.323 4.147 4.470 -0.000 0.000 0.226 1079 S C 2.205 176.721 174.600 -0.140 0.000 1.033 1079 S CA 1.698 59.761 58.200 -0.228 0.000 1.011 1079 S CB -1.117 62.095 63.200 0.020 0.000 0.852 1079 S HN 0.744 nan 8.310 nan 0.000 0.457 1080 Q N 1.095 120.863 119.800 -0.054 0.000 2.369 1080 Q HA 0.189 4.529 4.340 -0.000 0.000 0.206 1080 Q C 2.217 178.194 176.000 -0.038 0.000 0.963 1080 Q CA 1.352 57.139 55.803 -0.027 0.000 0.894 1080 Q CB -1.473 27.257 28.738 -0.014 0.000 0.965 1080 Q HN 0.695 nan 8.270 nan 0.000 0.475 1081 G N -0.305 108.457 108.800 -0.064 0.000 2.408 1081 G HA2 0.346 4.306 3.960 -0.000 0.000 0.217 1081 G HA3 0.346 4.306 3.960 -0.000 0.000 0.217 1081 G C 0.892 175.772 174.900 -0.034 0.000 1.150 1081 G CA 1.042 46.121 45.100 -0.036 0.000 0.776 1081 G HN 1.170 nan 8.290 nan 0.000 0.542 1082 G N -1.132 107.629 108.800 -0.065 0.000 2.550 1082 G HA2 0.556 4.516 3.960 -0.000 0.000 0.293 1082 G HA3 0.556 4.516 3.960 -0.000 0.000 0.293 1082 G C -3.275 171.614 174.900 -0.018 0.000 1.402 1082 G CA -0.701 44.384 45.100 -0.026 0.000 0.784 1082 G HN 0.038 nan 8.290 nan 0.000 0.482 1083 P HA 0.334 nan 4.420 nan 0.000 0.278 1083 P C -0.833 176.522 177.300 0.091 0.000 1.238 1083 P CA 0.102 63.249 63.100 0.078 0.000 0.794 1083 P CB 1.105 32.863 31.700 0.097 0.000 0.955 1084 D N -0.379 120.106 120.400 0.141 0.000 2.981 1084 D HA -0.144 4.496 4.640 -0.000 0.000 0.223 1084 D C -0.292 176.103 176.300 0.159 0.000 1.151 1084 D CA 0.864 54.996 54.000 0.219 0.000 0.827 1084 D CB -1.137 39.814 40.800 0.251 0.000 1.101 1084 D HN 0.551 nan 8.370 nan 0.000 0.426 1085 R N 0.024 120.506 120.500 -0.030 0.000 2.198 1085 R HA 0.543 4.883 4.340 -0.000 0.000 0.339 1085 R C 0.201 176.430 176.300 -0.118 0.000 1.020 1085 R CA -0.196 55.852 56.100 -0.086 0.000 0.864 1085 R CB 0.625 30.617 30.300 -0.514 0.000 1.105 1085 R HN -0.083 nan 8.270 nan 0.000 0.463 1086 F N 2.173 122.246 119.950 0.206 0.000 2.509 1086 F HA 0.501 5.027 4.527 -0.000 0.000 0.334 1086 F C 0.028 176.090 175.800 0.436 0.000 1.060 1086 F CA -0.859 57.276 58.000 0.226 0.000 0.997 1086 F CB 1.139 40.167 39.000 0.046 0.000 1.271 1086 F HN 0.390 nan 8.300 nan 0.000 0.488 1087 Y N 0.183 120.738 120.300 0.426 0.000 2.609 1087 Y HA 0.714 5.263 4.550 -0.001 0.000 0.336 1087 Y C -1.891 174.174 175.900 0.276 0.000 1.129 1087 Y CA -2.493 55.762 58.100 0.259 0.000 1.040 1087 Y CB 1.307 39.855 38.460 0.148 0.000 1.310 1087 Y HN 0.496 nan 8.280 nan 0.000 0.460 1088 F N 1.042 121.167 119.950 0.292 0.000 2.588 1088 F HA 0.762 5.289 4.527 -0.001 0.000 0.310 1088 F C -1.159 174.897 175.800 0.426 0.000 1.082 1088 F CA -1.146 57.022 58.000 0.280 0.000 0.929 1088 F CB 1.620 40.903 39.000 0.471 0.000 1.254 1088 F HN 0.601 nan 8.300 nan 0.000 0.455 1089 L N 0.253 121.798 121.223 0.536 0.000 2.515 1089 L HA 0.370 4.710 4.340 -0.000 0.000 0.202 1089 L C 0.558 177.783 176.870 0.591 0.000 1.056 1089 L CA 0.249 55.331 54.840 0.404 0.000 0.847 1089 L CB 0.315 42.573 42.059 0.332 0.000 1.131 1089 L HN 0.690 nan 8.230 nan 0.000 0.484 1090 E N -0.533 120.083 120.200 0.692 0.000 2.285 1090 E HA 0.670 5.020 4.350 -0.000 0.000 0.254 1090 E C -0.861 176.133 176.600 0.655 0.000 1.011 1090 E CA -0.695 56.073 56.400 0.612 0.000 0.873 1090 E CB 1.799 31.833 29.700 0.556 0.000 1.229 1090 E HN 0.140 nan 8.360 nan 0.000 0.422 1091 A N 0.421 123.503 122.820 0.436 0.000 2.430 1091 A HA 0.555 4.875 4.320 -0.000 0.000 0.300 1091 A C -1.907 175.762 177.584 0.141 0.000 1.124 1091 A CA -0.447 51.812 52.037 0.370 0.000 0.766 1091 A CB 0.985 20.158 19.000 0.288 0.000 1.328 1091 A HN 0.538 nan 8.150 nan 0.000 0.424 1092 Y N 1.355 121.576 120.300 -0.132 0.000 2.429 1092 Y HA 0.572 5.122 4.550 0.000 0.000 0.342 1092 Y C -0.494 175.189 175.900 -0.362 0.000 1.004 1092 Y CA -1.546 56.223 58.100 -0.552 0.000 1.075 1092 Y CB 1.742 39.770 38.460 -0.720 0.000 1.214 1092 Y HN 0.637 nan 8.280 nan 0.000 0.455 1093 N N 2.454 120.564 118.700 -0.983 0.000 2.626 1093 N HA 0.082 4.822 4.740 -0.000 0.000 0.242 1093 N C 0.278 175.158 175.510 -1.051 0.000 1.005 1093 N CA 0.294 52.908 53.050 -0.727 0.000 0.905 1093 N CB 1.142 39.377 38.487 -0.421 0.000 1.128 1093 N HN 0.729 nan 8.380 nan 0.000 0.512 1094 S N 1.883 117.065 115.700 -0.862 0.000 2.500 1094 S HA -0.134 4.336 4.470 -0.000 0.000 0.239 1094 S C 1.807 176.191 174.600 -0.359 0.000 0.989 1094 S CA 1.422 59.240 58.200 -0.636 0.000 0.951 1094 S CB -0.100 62.982 63.200 -0.196 0.000 0.759 1094 S HN 0.596 nan 8.310 nan 0.000 0.523 1095 K N 1.765 121.980 120.400 -0.310 0.000 2.054 1095 K HA 0.100 4.420 4.320 -0.000 0.000 0.207 1095 K C 2.348 178.823 176.600 -0.208 0.000 1.031 1095 K CA 1.464 57.633 56.287 -0.196 0.000 0.952 1095 K CB -1.907 30.509 32.500 -0.140 0.000 0.775 1095 K HN 0.687 nan 8.250 nan 0.000 0.447 1096 T N -0.920 113.498 114.554 -0.226 0.000 3.148 1096 T HA 0.106 4.456 4.350 -0.000 0.000 0.253 1096 T C 0.555 175.111 174.700 -0.239 0.000 1.134 1096 T CA 0.649 62.635 62.100 -0.189 0.000 1.051 1096 T CB -0.642 68.141 68.868 -0.142 0.000 0.959 1096 T HN 0.499 nan 8.240 nan 0.000 0.525 1097 K N 0.778 120.955 120.400 -0.372 0.000 3.003 1097 K HA -0.194 4.126 4.320 -0.000 0.000 0.257 1097 K C 0.039 176.527 176.600 -0.186 0.000 0.958 1097 K CA 0.424 56.468 56.287 -0.405 0.000 0.707 1097 K CB -1.363 30.837 32.500 -0.501 0.000 1.279 1097 K HN 0.495 nan 8.250 nan 0.000 0.479 1098 N N -0.383 118.169 118.700 -0.247 0.000 2.563 1098 N HA 0.504 5.244 4.740 -0.000 0.000 0.288 1098 N C -0.883 174.519 175.510 -0.181 0.000 1.246 1098 N CA -0.774 52.241 53.050 -0.058 0.000 0.946 1098 N CB 0.685 39.153 38.487 -0.033 0.000 1.213 1098 N HN 0.026 nan 8.380 nan 0.000 0.578 1099 F N 0.648 120.623 119.950 0.042 0.000 2.584 1099 F HA 0.211 4.739 4.527 0.001 0.000 0.328 1099 F C 0.447 176.273 175.800 0.042 0.000 1.407 1099 F CA -0.671 57.347 58.000 0.029 0.000 1.145 1099 F CB 0.384 39.368 39.000 -0.028 0.000 1.440 1099 F HN 0.454 nan 8.300 nan 0.000 0.580 1100 E N -0.726 119.549 120.200 0.125 0.000 2.435 1100 E HA 0.213 4.563 4.350 -0.000 0.000 0.254 1100 E C -0.630 176.070 176.600 0.167 0.000 1.289 1100 E CA -0.716 55.754 56.400 0.116 0.000 0.983 1100 E CB 0.503 30.236 29.700 0.055 0.000 1.010 1100 E HN 0.306 nan 8.360 nan 0.000 0.509 1101 D N -1.251 119.235 120.400 0.143 0.000 2.268 1101 D HA 0.301 4.941 4.640 -0.000 0.000 0.249 1101 D C -2.502 173.848 176.300 0.085 0.000 1.008 1101 D CA -2.628 51.481 54.000 0.182 0.000 0.939 1101 D CB 0.290 41.208 40.800 0.198 0.000 1.170 1101 D HN 0.123 nan 8.370 nan 0.000 0.468 1102 P HA 0.035 nan 4.420 nan 0.000 0.259 1102 P C -2.259 174.827 177.300 -0.356 0.000 1.155 1102 P CA -0.168 62.802 63.100 -0.217 0.000 0.759 1102 P CB -0.411 31.207 31.700 -0.136 0.000 0.753 1103 P HA -0.029 nan 4.420 nan 0.000 0.269 1103 P C 0.922 177.969 177.300 -0.422 0.000 1.217 1103 P CA 0.076 62.963 63.100 -0.354 0.000 0.783 1103 P CB 0.447 31.948 31.700 -0.332 0.000 0.898 1104 N N 0.821 119.417 118.700 -0.174 0.000 2.443 1104 N HA -0.189 4.551 4.740 -0.000 0.000 0.184 1104 N C 1.275 176.697 175.510 -0.146 0.000 1.037 1104 N CA 1.254 54.213 53.050 -0.151 0.000 0.896 1104 N CB -0.509 37.947 38.487 -0.051 0.000 0.959 1104 N HN 0.595 nan 8.380 nan 0.000 0.442 1105 H N -3.209 115.710 119.070 -0.251 0.000 2.563 1105 H HA 0.494 5.050 4.556 0.000 0.000 0.264 1105 H C 1.673 176.809 175.328 -0.319 0.000 0.957 1105 H CA 0.522 56.447 56.048 -0.205 0.000 1.173 1105 H CB 0.076 29.767 29.762 -0.118 0.000 1.420 1105 H HN 0.150 nan 8.280 nan 0.000 0.551 1106 A N 1.721 123.949 122.820 -0.987 0.000 1.970 1106 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 1106 A C 1.744 179.121 177.584 -0.346 0.000 1.170 1106 A CA 0.158 51.542 52.037 -1.088 0.000 0.645 1106 A CB -0.253 17.564 19.000 -1.973 0.000 0.816 1106 A HN 0.408 nan 8.150 nan 0.000 0.447 1107 R N 0.731 121.026 120.500 -0.343 0.000 2.726 1107 R HA 0.271 4.611 4.340 -0.000 0.000 0.272 1107 R C -1.042 175.231 176.300 -0.045 0.000 1.097 1107 R CA 0.201 56.194 56.100 -0.177 0.000 1.198 1107 R CB 0.227 30.343 30.300 -0.305 0.000 1.114 1107 R HN 0.212 nan 8.270 nan 0.000 0.550 1108 S N 3.292 119.004 115.700 0.019 0.000 2.410 1108 S HA 0.251 4.721 4.470 -0.000 0.000 0.304 1108 S C -2.378 172.232 174.600 0.016 0.000 1.095 1108 S CA -1.161 57.059 58.200 0.034 0.000 1.089 1108 S CB 1.330 64.564 63.200 0.057 0.000 0.968 1108 S HN 0.503 nan 8.310 nan 0.000 0.480 1109 P HA 0.085 nan 4.420 nan 0.000 0.252 1109 P C 0.359 177.665 177.300 0.011 0.000 1.147 1109 P CA 0.622 63.723 63.100 0.002 0.000 0.779 1109 P CB -0.012 31.693 31.700 0.009 0.000 0.733 1110 G N 1.293 110.099 108.800 0.010 0.000 2.975 1110 G HA2 0.577 4.537 3.960 -0.000 0.000 0.291 1110 G HA3 0.577 4.537 3.960 -0.000 0.000 0.291 1110 G C -0.657 174.251 174.900 0.014 0.000 1.334 1110 G CA -0.427 44.682 45.100 0.016 0.000 0.843 1110 G HN 0.522 nan 8.290 nan 0.000 0.548 1111 N N -0.517 118.192 118.700 0.014 0.000 2.513 1111 N HA 0.579 5.319 4.740 -0.000 0.000 0.268 1111 N C 0.489 176.009 175.510 0.017 0.000 1.180 1111 N CA 0.636 53.694 53.050 0.013 0.000 0.948 1111 N CB 0.047 38.540 38.487 0.010 0.000 1.083 1111 N HN 1.145 nan 8.380 nan 0.000 0.455 1112 K N -0.017 120.391 120.400 0.015 0.000 2.380 1112 K HA 0.653 4.973 4.320 -0.000 0.000 0.267 1112 K C 1.098 177.710 176.600 0.020 0.000 0.990 1112 K CA 0.273 56.572 56.287 0.018 0.000 0.946 1112 K CB -0.247 32.261 32.500 0.014 0.000 0.937 1112 K HN 2.495 nan 8.250 nan 0.000 0.491 1113 G N 0.309 109.126 108.800 0.028 0.000 2.340 1113 G HA2 0.299 4.259 3.960 -0.000 0.000 0.527 1113 G HA3 0.299 4.259 3.960 -0.000 0.000 0.527 1113 G C -1.521 173.399 174.900 0.033 0.000 1.381 1113 G CA -0.687 44.427 45.100 0.024 0.000 1.001 1113 G HN 0.650 nan 8.290 nan 0.000 0.626 1114 K N 0.321 120.733 120.400 0.019 0.000 2.397 1114 K HA 0.624 4.943 4.320 -0.000 0.000 0.253 1114 K C 0.938 177.527 176.600 -0.018 0.000 0.932 1114 K CA -0.191 56.102 56.287 0.010 0.000 0.795 1114 K CB 2.173 34.686 32.500 0.022 0.000 1.159 1114 K HN 1.174 nan 8.250 nan 0.000 0.424 1140 P HA 0.566 nan 4.420 nan 0.000 0.271 1140 P C -0.412 176.890 177.300 0.003 0.000 1.216 1140 P CA -0.155 62.951 63.100 0.010 0.000 0.776 1140 P CB 0.620 32.334 31.700 0.025 0.000 0.881 1141 K N 1.505 121.908 120.400 0.006 0.000 2.118 1141 K HA 0.394 4.714 4.320 -0.000 0.000 0.267 1141 K C -0.251 176.369 176.600 0.033 0.000 0.991 1141 K CA -0.750 55.540 56.287 0.005 0.000 0.916 1141 K CB 0.897 33.399 32.500 0.004 0.000 1.041 1141 K HN 0.375 nan 8.250 nan 0.000 0.455 1142 L N 3.663 124.905 121.223 0.032 0.000 2.313 1142 L HA 0.217 4.557 4.340 -0.000 0.000 0.282 1142 L C 0.434 177.382 176.870 0.131 0.000 1.092 1142 L CA -0.360 54.530 54.840 0.084 0.000 0.831 1142 L CB 0.240 42.335 42.059 0.060 0.000 1.159 1142 L HN 0.362 nan 8.230 nan 0.000 0.442 1143 R N 2.549 123.153 120.500 0.172 0.000 2.446 1143 R HA 0.108 4.448 4.340 -0.000 0.000 0.325 1143 R C -0.325 176.182 176.300 0.346 0.000 0.997 1143 R CA 0.023 56.264 56.100 0.234 0.000 1.010 1143 R CB -0.314 30.182 30.300 0.327 0.000 0.946 1143 R HN 0.510 nan 8.270 nan 0.000 0.422 1144 T N 3.981 118.728 114.554 0.321 0.000 2.829 1144 T HA 0.288 4.638 4.350 -0.000 0.000 0.282 1144 T C -0.503 174.474 174.700 0.462 0.000 0.990 1144 T CA -0.650 61.660 62.100 0.349 0.000 1.028 1144 T CB 1.185 70.242 68.868 0.314 0.000 0.951 1144 T HN 0.254 nan 8.240 nan 0.000 0.460 1145 L N 3.514 124.956 121.223 0.366 0.000 2.276 1145 L HA 0.534 4.873 4.340 -0.000 0.000 0.286 1145 L C -0.777 176.203 176.870 0.185 0.000 1.024 1145 L CA -0.563 54.464 54.840 0.312 0.000 0.826 1145 L CB 0.952 43.044 42.059 0.055 0.000 1.211 1145 L HN 0.438 nan 8.230 nan 0.000 0.422 1146 D N 4.513 125.001 120.400 0.147 0.000 2.412 1146 D HA 0.312 4.952 4.640 -0.000 0.000 0.224 1146 D C -0.800 175.450 176.300 -0.083 0.000 1.093 1146 D CA -0.110 53.920 54.000 0.051 0.000 0.850 1146 D CB 1.262 42.092 40.800 0.050 0.000 1.046 1146 D HN 0.339 nan 8.370 nan 0.000 0.507 1147 V N 4.565 124.410 119.914 -0.115 0.000 2.539 1147 V HA 0.318 4.438 4.120 -0.000 0.000 0.292 1147 V C 0.249 176.081 176.094 -0.436 0.000 1.045 1147 V CA -0.771 61.268 62.300 -0.435 0.000 0.945 1147 V CB 0.446 31.920 31.823 -0.582 0.000 0.993 1147 V HN 0.589 nan 8.190 nan 0.000 0.464 1148 F N 2.382 122.244 119.950 -0.148 0.000 2.866 1148 F HA -0.230 4.296 4.527 -0.000 0.000 0.254 1148 F C 1.710 177.448 175.800 -0.102 0.000 1.009 1148 F CA 0.773 58.700 58.000 -0.122 0.000 0.907 1148 F CB -2.186 36.707 39.000 -0.179 0.000 0.859 1148 F HN 0.680 nan 8.300 nan 0.000 0.842 1149 S N -0.188 115.496 115.700 -0.027 0.000 2.436 1149 S HA 0.356 4.826 4.470 -0.000 0.000 0.228 1149 S C 1.781 176.451 174.600 0.117 0.000 1.014 1149 S CA 0.639 58.812 58.200 -0.045 0.000 0.950 1149 S CB -0.159 62.809 63.200 -0.388 0.000 0.784 1149 S HN 2.033 nan 8.310 nan 0.000 0.504 1150 G N 0.944 109.836 108.800 0.153 0.000 2.601 1150 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.261 1150 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.261 1150 G C 0.907 176.024 174.900 0.362 0.000 1.289 1150 G CA 0.591 45.846 45.100 0.258 0.000 0.920 1150 G HN 1.488 nan 8.290 nan 0.000 0.571 1151 C N -0.364 119.179 119.300 0.405 0.000 2.491 1151 C HA 0.540 5.000 4.460 -0.000 0.000 0.277 1151 C C 2.026 177.376 174.990 0.600 0.000 1.455 1151 C CA 0.561 59.870 59.018 0.484 0.000 1.758 1151 C CB -1.164 26.853 27.740 0.462 0.000 1.745 1151 C HN 2.811 nan 8.230 nan 0.000 0.558 1152 G N -0.034 109.110 108.800 0.572 0.000 2.288 1152 G HA2 0.070 4.030 3.960 -0.000 0.000 0.205 1152 G HA3 0.070 4.030 3.960 -0.000 0.000 0.205 1152 G C 0.798 175.813 174.900 0.191 0.000 1.071 1152 G CA 0.131 45.523 45.100 0.487 0.000 0.788 1152 G HN 0.950 nan 8.290 nan 0.000 0.491 1153 G N -0.003 108.892 108.800 0.157 0.000 2.459 1153 G HA2 0.021 3.981 3.960 -0.000 0.000 0.217 1153 G HA3 0.021 3.981 3.960 -0.000 0.000 0.217 1153 G C 1.786 176.539 174.900 -0.245 0.000 1.183 1153 G CA 1.669 46.704 45.100 -0.108 0.000 0.776 1153 G HN 0.989 nan 8.290 nan 0.000 0.552 1154 L N 1.061 122.157 121.223 -0.212 0.000 1.955 1154 L HA -0.057 4.283 4.340 -0.000 0.000 0.213 1154 L C 3.015 179.587 176.870 -0.496 0.000 1.072 1154 L CA 2.570 57.166 54.840 -0.407 0.000 0.755 1154 L CB -0.971 40.847 42.059 -0.401 0.000 0.888 1154 L HN 0.196 nan 8.230 nan 0.000 0.432 1155 S N -0.807 114.704 115.700 -0.315 0.000 2.380 1155 S HA -0.294 4.176 4.470 -0.000 0.000 0.229 1155 S C 1.836 176.121 174.600 -0.526 0.000 1.043 1155 S CA 1.528 59.499 58.200 -0.382 0.000 1.038 1155 S CB -0.423 62.700 63.200 -0.128 0.000 0.872 1155 S HN 0.592 nan 8.310 nan 0.000 0.456 1156 E N 1.155 121.179 120.200 -0.294 0.000 2.038 1156 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 1156 E C 2.110 178.624 176.600 -0.143 0.000 1.000 1156 E CA 1.851 58.146 56.400 -0.175 0.000 0.803 1156 E CB -1.115 28.424 29.700 -0.269 0.000 0.750 1156 E HN 0.396 nan 8.360 nan 0.000 0.448 1157 G N -0.470 108.206 108.800 -0.208 0.000 2.440 1157 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 1157 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 1157 G C 1.418 176.359 174.900 0.068 0.000 1.154 1157 G CA 0.879 45.908 45.100 -0.117 0.000 0.767 1157 G HN 0.245 nan 8.290 nan 0.000 0.552 1158 F N 1.336 121.192 119.950 -0.157 0.000 2.069 1158 F HA -0.037 4.490 4.527 0.000 0.000 0.298 1158 F C 2.734 178.526 175.800 -0.013 0.000 1.113 1158 F CA 0.920 58.854 58.000 -0.110 0.000 1.214 1158 F CB -1.214 37.707 39.000 -0.132 0.000 0.978 1158 F HN 0.196 nan 8.300 nan 0.000 0.474 1159 H N 0.346 119.518 119.070 0.170 0.000 2.319 1159 H HA -0.187 4.369 4.556 -0.000 0.000 0.297 1159 H C 2.197 177.542 175.328 0.028 0.000 1.097 1159 H CA 1.668 57.758 56.048 0.070 0.000 1.285 1159 H CB -0.912 28.874 29.762 0.040 0.000 1.368 1159 H HN 0.394 nan 8.280 nan 0.000 0.495 1160 Q N -0.173 119.714 119.800 0.146 0.000 2.112 1160 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 1160 Q C 2.434 178.458 176.000 0.042 0.000 0.987 1160 Q CA 1.469 57.307 55.803 0.058 0.000 0.858 1160 Q CB -0.190 28.554 28.738 0.011 0.000 0.905 1160 Q HN 0.478 nan 8.270 nan 0.000 0.420 1161 A N 0.185 123.036 122.820 0.051 0.000 2.066 1161 A HA 0.159 4.479 4.320 -0.000 0.000 0.218 1161 A C 1.543 179.123 177.584 -0.006 0.000 1.157 1161 A CA 0.973 53.016 52.037 0.011 0.000 0.670 1161 A CB -0.450 18.544 19.000 -0.010 0.000 0.804 1161 A HN 0.511 nan 8.150 nan 0.000 0.453 1162 G N -0.352 108.462 108.800 0.023 0.000 2.225 1162 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.264 1162 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.264 1162 G C 0.550 175.434 174.900 -0.027 0.000 1.060 1162 G CA 0.582 45.686 45.100 0.007 0.000 0.833 1162 G HN 1.345 nan 8.290 nan 0.000 0.498 1163 I N -2.607 117.931 120.570 -0.053 0.000 4.187 1163 I HA 0.477 4.646 4.170 -0.000 0.000 0.326 1163 I C 0.909 176.981 176.117 -0.074 0.000 1.302 1163 I CA 0.462 61.689 61.300 -0.121 0.000 1.196 1163 I CB 0.650 38.487 38.000 -0.272 0.000 1.095 1163 I HN 0.384 nan 8.210 nan 0.000 0.411 1164 S N 0.820 116.539 115.700 0.032 0.000 2.566 1164 S HA 0.531 5.000 4.470 -0.000 0.000 0.298 1164 S C -0.552 174.166 174.600 0.196 0.000 1.083 1164 S CA -0.535 57.746 58.200 0.135 0.000 0.978 1164 S CB 2.310 65.642 63.200 0.220 0.000 1.073 1164 S HN 0.344 nan 8.310 nan 0.000 0.491 1165 E N 1.746 122.036 120.200 0.151 0.000 2.402 1165 E HA 0.250 4.600 4.350 -0.000 0.000 0.244 1165 E C -1.111 175.564 176.600 0.126 0.000 0.945 1165 E CA -0.522 55.916 56.400 0.064 0.000 0.774 1165 E CB 0.960 30.646 29.700 -0.023 0.000 1.296 1165 E HN 0.728 nan 8.360 nan 0.000 0.414 1166 T N 5.280 120.015 114.554 0.301 0.000 2.784 1166 T HA 0.129 4.479 4.350 -0.000 0.000 0.291 1166 T C 1.255 175.972 174.700 0.028 0.000 0.942 1166 T CA 0.104 62.366 62.100 0.270 0.000 1.161 1166 T CB 0.528 69.671 68.868 0.458 0.000 0.885 1166 T HN 0.522 nan 8.240 nan 0.000 0.534 1167 L N 1.722 122.814 121.223 -0.218 0.000 2.515 1167 L HA 0.327 4.667 4.340 -0.000 0.000 0.223 1167 L C 0.210 176.593 176.870 -0.813 0.000 1.079 1167 L CA 0.166 54.529 54.840 -0.796 0.000 0.857 1167 L CB 0.345 41.396 42.059 -1.679 0.000 1.050 1167 L HN 0.573 nan 8.230 nan 0.000 0.476 1168 W N 0.142 121.528 121.300 0.144 0.000 3.138 1168 W HA 0.678 5.338 4.660 -0.000 0.000 0.331 1168 W C -0.749 175.825 176.519 0.091 0.000 1.166 1168 W CA -0.930 56.523 57.345 0.180 0.000 1.212 1168 W CB 1.658 31.268 29.460 0.250 0.000 1.399 1168 W HN -0.300 nan 8.180 nan 0.000 0.514 1169 A N 3.066 126.029 122.820 0.239 0.000 2.449 1169 A HA 0.899 5.218 4.320 -0.000 0.000 0.302 1169 A C -1.487 176.101 177.584 0.007 0.000 1.048 1169 A CA -0.749 51.234 52.037 -0.090 0.000 0.708 1169 A CB 1.635 20.202 19.000 -0.722 0.000 1.274 1169 A HN 0.565 nan 8.150 nan 0.000 0.410 1170 I N 1.380 121.889 120.570 -0.102 0.000 2.418 1170 I HA 0.549 4.719 4.170 -0.000 0.000 0.287 1170 I C -0.649 175.393 176.117 -0.125 0.000 1.008 1170 I CA -0.352 60.905 61.300 -0.072 0.000 1.104 1170 I CB 2.038 39.937 38.000 -0.168 0.000 1.264 1170 I HN 0.697 nan 8.210 nan 0.000 0.438 1171 E N 6.250 126.434 120.200 -0.027 0.000 2.361 1171 E HA 0.230 4.580 4.350 -0.000 0.000 0.270 1171 E C -0.221 176.446 176.600 0.112 0.000 0.911 1171 E CA -0.411 56.016 56.400 0.044 0.000 0.818 1171 E CB 1.574 31.287 29.700 0.022 0.000 1.332 1171 E HN 0.667 nan 8.360 nan 0.000 0.402 1172 M N 3.059 122.760 119.600 0.168 0.000 2.319 1172 M HA 0.137 4.617 4.480 -0.000 0.000 0.265 1172 M C -0.157 176.293 176.300 0.249 0.000 1.068 1172 M CA 0.700 56.109 55.300 0.181 0.000 1.118 1172 M CB 0.219 32.927 32.600 0.181 0.000 1.395 1172 M HN 0.509 nan 8.290 nan 0.000 0.435 1173 W N 1.540 122.879 121.300 0.066 0.000 2.335 1173 W HA 0.178 4.837 4.660 -0.001 0.000 0.306 1173 W C 0.737 177.300 176.519 0.073 0.000 1.216 1173 W CA -0.612 56.774 57.345 0.068 0.000 1.237 1173 W CB 0.585 30.087 29.460 0.070 0.000 1.243 1173 W HN 0.196 nan 8.180 nan 0.000 0.493 1174 D N 5.322 125.592 120.400 -0.217 0.000 2.144 1174 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 1174 D C -0.685 175.385 176.300 -0.383 0.000 0.984 1174 D CA 1.756 55.615 54.000 -0.236 0.000 0.834 1174 D CB -0.104 40.626 40.800 -0.116 0.000 0.955 1174 D HN 0.212 nan 8.370 nan 0.000 0.465 1175 P HA 0.002 nan 4.420 nan 0.000 0.215 1175 P C 1.226 178.319 177.300 -0.344 0.000 1.157 1175 P CA 1.776 64.581 63.100 -0.491 0.000 0.859 1175 P CB -0.178 30.969 31.700 -0.920 0.000 0.786 1176 A N 0.467 123.005 122.820 -0.469 0.000 1.892 1176 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 1176 A C 2.374 179.991 177.584 0.057 0.000 1.188 1176 A CA 2.535 54.579 52.037 0.012 0.000 0.631 1176 A CB -1.738 17.448 19.000 0.311 0.000 0.822 1176 A HN 0.188 nan 8.150 nan 0.000 0.447 1177 A N -1.250 121.562 122.820 -0.015 0.000 1.908 1177 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 1177 A C 2.158 179.714 177.584 -0.047 0.000 1.181 1177 A CA 1.790 53.821 52.037 -0.010 0.000 0.627 1177 A CB -0.492 18.482 19.000 -0.043 0.000 0.818 1177 A HN 0.582 nan 8.150 nan 0.000 0.445 1178 Q N -0.727 118.957 119.800 -0.193 0.000 2.016 1178 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 1178 Q C 2.541 178.376 176.000 -0.274 0.000 0.978 1178 Q CA 1.533 57.103 55.803 -0.388 0.000 0.833 1178 Q CB -0.760 27.415 28.738 -0.939 0.000 0.895 1178 Q HN 0.646 nan 8.270 nan 0.000 0.427 1179 A N 0.643 123.387 122.820 -0.127 0.000 1.917 1179 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 1179 A C 1.984 179.556 177.584 -0.020 0.000 1.182 1179 A CA 1.486 53.513 52.037 -0.015 0.000 0.633 1179 A CB -0.981 18.111 19.000 0.154 0.000 0.819 1179 A HN 0.359 nan 8.150 nan 0.000 0.448 1180 F N 0.334 120.260 119.950 -0.041 0.000 2.069 1180 F HA -0.200 4.327 4.527 0.000 0.000 0.298 1180 F C 2.556 178.308 175.800 -0.080 0.000 1.113 1180 F CA 2.070 60.064 58.000 -0.010 0.000 1.214 1180 F CB -0.162 38.858 39.000 0.033 0.000 0.978 1180 F HN 0.119 nan 8.300 nan 0.000 0.474 1181 R N 0.133 120.705 120.500 0.120 0.000 2.105 1181 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 1181 R C 2.207 178.426 176.300 -0.135 0.000 1.135 1181 R CA 1.704 57.798 56.100 -0.010 0.000 0.967 1181 R CB -0.730 29.521 30.300 -0.081 0.000 0.861 1181 R HN 0.388 nan 8.270 nan 0.000 0.442 1182 L N 0.690 121.798 121.223 -0.192 0.000 2.191 1182 L HA -0.153 4.186 4.340 -0.000 0.000 0.212 1182 L C 1.468 178.156 176.870 -0.302 0.000 1.103 1182 L CA 1.009 55.707 54.840 -0.236 0.000 0.769 1182 L CB -0.286 41.627 42.059 -0.243 0.000 0.908 1182 L HN 0.279 nan 8.230 nan 0.000 0.438 1183 N N 0.011 118.479 118.700 -0.385 0.000 2.254 1183 N HA 0.032 4.772 4.740 -0.000 0.000 0.190 1183 N C -0.353 174.961 175.510 -0.326 0.000 1.107 1183 N CA 0.222 52.988 53.050 -0.474 0.000 0.869 1183 N CB 0.450 38.458 38.487 -0.798 0.000 0.983 1183 N HN 0.374 nan 8.380 nan 0.000 0.487 1184 N N 0.744 119.277 118.700 -0.280 0.000 2.675 1184 N HA 0.180 4.920 4.740 -0.000 0.000 0.254 1184 N C -2.264 173.178 175.510 -0.114 0.000 1.224 1184 N CA -0.980 51.958 53.050 -0.186 0.000 0.777 1184 N CB 2.022 40.398 38.487 -0.186 0.000 1.256 1184 N HN -0.053 nan 8.380 nan 0.000 0.531 1185 P HA -0.029 nan 4.420 nan 0.000 0.230 1185 P C 1.020 178.263 177.300 -0.095 0.000 1.158 1185 P CA 0.780 63.817 63.100 -0.104 0.000 0.769 1185 P CB 0.301 31.936 31.700 -0.107 0.000 0.807 1186 G N -0.975 107.766 108.800 -0.099 0.000 2.939 1186 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.210 1186 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.210 1186 G C 0.472 175.298 174.900 -0.123 0.000 1.160 1186 G CA 0.318 45.351 45.100 -0.112 0.000 0.770 1186 G HN 0.362 nan 8.290 nan 0.000 0.543 1187 T N 0.289 114.802 114.554 -0.068 0.000 2.895 1187 T HA 0.493 4.842 4.350 -0.000 0.000 0.283 1187 T C -0.340 174.317 174.700 -0.071 0.000 1.014 1187 T CA -0.389 61.678 62.100 -0.055 0.000 1.037 1187 T CB 1.343 70.299 68.868 0.148 0.000 1.006 1187 T HN -0.096 nan 8.240 nan 0.000 0.468 1188 T N 4.325 118.793 114.554 -0.142 0.000 2.794 1188 T HA 0.370 4.720 4.350 -0.000 0.000 0.304 1188 T C -0.004 174.534 174.700 -0.269 0.000 0.973 1188 T CA -0.494 61.464 62.100 -0.237 0.000 0.972 1188 T CB 0.234 68.933 68.868 -0.282 0.000 0.952 1188 T HN 0.495 nan 8.240 nan 0.000 0.509 1189 V N 5.120 124.895 119.914 -0.231 0.000 2.389 1189 V HA 0.281 4.401 4.120 -0.000 0.000 0.264 1189 V C -0.108 175.839 176.094 -0.245 0.000 1.049 1189 V CA -0.691 61.508 62.300 -0.169 0.000 0.932 1189 V CB -0.539 31.230 31.823 -0.089 0.000 1.011 1189 V HN 0.742 nan 8.190 nan 0.000 0.475 1190 F N 2.527 122.476 119.950 -0.003 0.000 2.413 1190 F HA 0.254 4.781 4.527 -0.000 0.000 0.359 1190 F C 1.288 177.081 175.800 -0.012 0.000 1.122 1190 F CA -0.339 57.666 58.000 0.008 0.000 1.160 1190 F CB 0.642 39.660 39.000 0.031 0.000 1.146 1190 F HN 0.349 nan 8.300 nan 0.000 0.514 1191 T N 3.813 118.437 114.554 0.117 0.000 3.945 1191 T HA 0.242 4.592 4.350 -0.000 0.000 0.306 1191 T C -0.022 174.742 174.700 0.106 0.000 1.475 1191 T CA -0.126 62.023 62.100 0.082 0.000 1.177 1191 T CB -0.698 68.190 68.868 0.033 0.000 1.272 1191 T HN 0.606 nan 8.240 nan 0.000 0.930 1192 E N 0.689 120.962 120.200 0.123 0.000 2.459 1192 E HA 0.305 4.655 4.350 -0.000 0.000 0.275 1192 E C -1.198 175.455 176.600 0.088 0.000 0.987 1192 E CA -1.061 55.402 56.400 0.104 0.000 0.828 1192 E CB 1.380 31.144 29.700 0.107 0.000 1.428 1192 E HN 0.238 nan 8.360 nan 0.000 0.457 1193 D N 0.385 120.835 120.400 0.082 0.000 2.343 1193 D HA 0.023 4.663 4.640 -0.000 0.000 0.255 1193 D C 1.113 177.458 176.300 0.075 0.000 1.187 1193 D CA -0.350 53.703 54.000 0.088 0.000 0.875 1193 D CB 0.651 41.502 40.800 0.084 0.000 1.136 1193 D HN 0.598 nan 8.370 nan 0.000 0.469 1194 C N 3.543 122.881 119.300 0.064 0.000 2.403 1194 C HA -0.121 4.339 4.460 -0.000 0.000 0.282 1194 C C 1.999 177.100 174.990 0.186 0.000 1.297 1194 C CA 0.119 59.169 59.018 0.052 0.000 1.785 1194 C CB -0.987 26.656 27.740 -0.160 0.000 1.963 1194 C HN 0.635 nan 8.230 nan 0.000 0.507 1195 N N 1.150 119.934 118.700 0.140 0.000 2.058 1195 N HA -0.125 4.615 4.740 -0.000 0.000 0.191 1195 N C 1.972 177.504 175.510 0.037 0.000 1.037 1195 N CA 1.758 54.872 53.050 0.106 0.000 0.848 1195 N CB -0.464 38.071 38.487 0.080 0.000 1.021 1195 N HN 0.566 nan 8.380 nan 0.000 0.422 1196 V N 1.523 121.453 119.914 0.027 0.000 2.453 1196 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 1196 V C 2.301 178.372 176.094 -0.038 0.000 1.048 1196 V CA 0.971 63.267 62.300 -0.007 0.000 1.049 1196 V CB -0.373 31.455 31.823 0.008 0.000 0.672 1196 V HN 0.117 nan 8.190 nan 0.000 0.457 1197 L N -0.216 120.994 121.223 -0.023 0.000 2.079 1197 L HA -0.136 4.203 4.340 -0.000 0.000 0.210 1197 L C 2.211 178.985 176.870 -0.160 0.000 1.081 1197 L CA 2.469 57.259 54.840 -0.083 0.000 0.752 1197 L CB -0.812 41.201 42.059 -0.076 0.000 0.896 1197 L HN 0.458 nan 8.230 nan 0.000 0.433 1198 L N 0.221 121.353 121.223 -0.151 0.000 2.005 1198 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 1198 L C 2.697 179.350 176.870 -0.361 0.000 1.072 1198 L CA 2.724 57.329 54.840 -0.391 0.000 0.744 1198 L CB -1.248 40.571 42.059 -0.400 0.000 0.895 1198 L HN 0.241 nan 8.230 nan 0.000 0.433 1199 K N -0.375 119.895 120.400 -0.216 0.000 2.360 1199 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 1199 K C 1.982 178.481 176.600 -0.168 0.000 1.046 1199 K CA 1.802 57.981 56.287 -0.180 0.000 0.945 1199 K CB -1.236 31.201 32.500 -0.105 0.000 0.750 1199 K HN 0.556 nan 8.250 nan 0.000 0.464 1200 L N -0.204 120.919 121.223 -0.167 0.000 1.993 1200 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 1200 L C 2.697 179.466 176.870 -0.168 0.000 1.074 1200 L CA 1.467 56.226 54.840 -0.134 0.000 0.746 1200 L CB -0.276 41.719 42.059 -0.105 0.000 0.896 1200 L HN 0.345 nan 8.230 nan 0.000 0.435 1201 V N -1.059 118.710 119.914 -0.242 0.000 2.594 1201 V HA -0.275 3.845 4.120 -0.000 0.000 0.253 1201 V C 2.252 178.173 176.094 -0.288 0.000 1.069 1201 V CA 1.556 63.707 62.300 -0.248 0.000 1.082 1201 V CB -0.238 31.406 31.823 -0.298 0.000 0.680 1201 V HN 0.383 nan 8.190 nan 0.000 0.469 1202 M N 0.946 120.305 119.600 -0.402 0.000 2.086 1202 M HA -0.005 4.475 4.480 -0.000 0.000 0.261 1202 M C 2.261 178.472 176.300 -0.148 0.000 1.067 1202 M CA 2.082 57.192 55.300 -0.317 0.000 1.116 1202 M CB -0.672 31.720 32.600 -0.347 0.000 1.348 1202 M HN 0.505 nan 8.290 nan 0.000 0.407 1203 A N 0.302 123.041 122.820 -0.134 0.000 2.263 1203 A HA 0.289 4.609 4.320 -0.000 0.000 0.205 1203 A C 1.503 179.050 177.584 -0.061 0.000 1.226 1203 A CA 0.819 52.806 52.037 -0.083 0.000 0.810 1203 A CB -1.408 17.548 19.000 -0.074 0.000 0.784 1203 A HN 0.758 nan 8.150 nan 0.000 0.486 1204 G N -0.821 107.941 108.800 -0.064 0.000 2.160 1204 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.251 1204 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.251 1204 G C -0.140 174.743 174.900 -0.028 0.000 1.008 1204 G CA 0.273 45.352 45.100 -0.036 0.000 0.724 1204 G HN 0.517 nan 8.290 nan 0.000 0.514 1205 E N -0.598 119.577 120.200 -0.042 0.000 2.354 1205 E HA 0.409 4.759 4.350 -0.000 0.000 0.269 1205 E C 1.323 177.918 176.600 -0.008 0.000 1.036 1205 E CA -0.211 56.174 56.400 -0.024 0.000 0.876 1205 E CB 1.705 31.385 29.700 -0.033 0.000 1.009 1205 E HN 0.109 nan 8.360 nan 0.000 0.416 1206 V N 1.639 121.562 119.914 0.016 0.000 3.431 1206 V HA 0.032 4.152 4.120 -0.000 0.000 0.253 1206 V C 0.920 177.054 176.094 0.068 0.000 1.184 1206 V CA 0.877 63.201 62.300 0.040 0.000 1.104 1206 V CB 0.745 32.594 31.823 0.044 0.000 0.799 1206 V HN 0.611 nan 8.190 nan 0.000 0.462 1207 T N 0.623 115.217 114.554 0.066 0.000 2.932 1207 T HA 0.369 4.719 4.350 -0.000 0.000 0.318 1207 T C -0.895 173.862 174.700 0.096 0.000 1.265 1207 T CA -0.766 61.398 62.100 0.107 0.000 1.036 1207 T CB 1.452 70.378 68.868 0.097 0.000 1.209 1207 T HN 0.382 nan 8.240 nan 0.000 0.484 1208 N N 1.499 120.288 118.700 0.148 0.000 2.327 1208 N HA 0.123 4.863 4.740 -0.000 0.000 0.257 1208 N C 1.534 177.096 175.510 0.088 0.000 1.281 1208 N CA 0.318 53.440 53.050 0.120 0.000 0.942 1208 N CB 0.010 38.610 38.487 0.189 0.000 1.199 1208 N HN 0.593 nan 8.380 nan 0.000 0.532 1209 S N -1.420 114.321 115.700 0.068 0.000 2.493 1209 S HA -0.115 4.355 4.470 -0.000 0.000 0.243 1209 S C 1.144 175.771 174.600 0.044 0.000 0.991 1209 S CA 0.489 58.718 58.200 0.048 0.000 0.957 1209 S CB -0.352 62.872 63.200 0.039 0.000 0.756 1209 S HN 0.455 nan 8.310 nan 0.000 0.521 1210 L N 1.147 122.404 121.223 0.056 0.000 2.728 1210 L HA 0.459 4.799 4.340 -0.000 0.000 0.238 1210 L C 1.494 178.384 176.870 0.033 0.000 1.143 1210 L CA 0.450 55.311 54.840 0.036 0.000 0.937 1210 L CB -0.469 41.606 42.059 0.027 0.000 1.225 1210 L HN 0.490 nan 8.230 nan 0.000 0.507 1211 G N 0.388 109.220 108.800 0.052 0.000 2.295 1211 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.287 1211 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.287 1211 G C 0.197 175.132 174.900 0.058 0.000 1.055 1211 G CA 0.010 45.141 45.100 0.053 0.000 0.922 1211 G HN 0.443 nan 8.290 nan 0.000 0.503 1212 Q N -0.548 119.310 119.800 0.097 0.000 2.290 1212 Q HA 0.395 4.735 4.340 -0.000 0.000 0.259 1212 Q C 0.630 176.782 176.000 0.254 0.000 0.941 1212 Q CA -0.819 55.044 55.803 0.100 0.000 0.912 1212 Q CB 1.656 30.375 28.738 -0.032 0.000 1.244 1212 Q HN 0.367 nan 8.270 nan 0.000 0.441 1213 R N 2.363 123.002 120.500 0.230 0.000 2.446 1213 R HA 0.020 4.359 4.340 -0.000 0.000 0.314 1213 R C -0.602 175.964 176.300 0.445 0.000 1.003 1213 R CA -0.235 56.034 56.100 0.282 0.000 1.018 1213 R CB 0.220 30.664 30.300 0.239 0.000 0.945 1213 R HN 0.394 nan 8.270 nan 0.000 0.419 1214 L N 7.634 129.027 121.223 0.283 0.000 2.426 1214 L HA 0.193 4.532 4.340 -0.000 0.000 0.271 1214 L C -1.904 174.997 176.870 0.052 0.000 1.169 1214 L CA -1.699 53.211 54.840 0.117 0.000 0.836 1214 L CB 0.539 42.594 42.059 -0.007 0.000 1.112 1214 L HN 0.520 nan 8.230 nan 0.000 0.465 1215 P HA 0.112 nan 4.420 nan 0.000 0.267 1215 P C -0.940 176.339 177.300 -0.036 0.000 1.205 1215 P CA -0.169 62.636 63.100 -0.491 0.000 0.765 1215 P CB 0.567 31.578 31.700 -1.149 0.000 0.828 1216 Q N 2.079 121.901 119.800 0.037 0.000 2.348 1216 Q HA 0.295 4.635 4.340 -0.000 0.000 0.271 1216 Q C -0.115 176.012 176.000 0.213 0.000 1.067 1216 Q CA -0.949 54.962 55.803 0.180 0.000 0.839 1216 Q CB 1.751 30.550 28.738 0.103 0.000 1.354 1216 Q HN 0.346 nan 8.270 nan 0.000 0.447 1217 K N 0.280 120.781 120.400 0.169 0.000 2.543 1217 K HA 0.039 4.359 4.320 -0.000 0.000 0.279 1217 K C 0.892 177.523 176.600 0.052 0.000 1.001 1217 K CA 1.348 57.660 56.287 0.042 0.000 1.088 1217 K CB -0.106 32.264 32.500 -0.217 0.000 0.863 1217 K HN 0.961 nan 8.250 nan 0.000 0.488 1218 G N 2.929 111.772 108.800 0.071 0.000 2.279 1218 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.223 1218 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.223 1218 G C 0.690 175.651 174.900 0.101 0.000 1.015 1218 G CA 0.255 45.399 45.100 0.074 0.000 0.621 1218 G HN 0.672 nan 8.290 nan 0.000 0.506 1219 D N 0.515 120.963 120.400 0.081 0.000 2.103 1219 D HA 0.070 4.710 4.640 -0.000 0.000 0.199 1219 D C 1.592 177.951 176.300 0.099 0.000 0.978 1219 D CA 1.346 55.410 54.000 0.107 0.000 0.829 1219 D CB -0.208 40.581 40.800 -0.017 0.000 0.981 1219 D HN 0.388 nan 8.370 nan 0.000 0.464 1220 V N 2.047 121.891 119.914 -0.116 0.000 2.427 1220 V HA 0.051 4.171 4.120 -0.000 0.000 0.268 1220 V C 1.220 177.387 176.094 0.123 0.000 1.046 1220 V CA 0.217 62.469 62.300 -0.079 0.000 0.970 1220 V CB 1.301 32.901 31.823 -0.372 0.000 1.001 1220 V HN 0.035 nan 8.190 nan 0.000 0.476 1221 E N 3.346 123.673 120.200 0.212 0.000 2.251 1221 E HA 0.223 4.573 4.350 -0.000 0.000 0.194 1221 E C 0.446 177.220 176.600 0.290 0.000 0.964 1221 E CA 0.258 56.803 56.400 0.240 0.000 0.868 1221 E CB 0.761 30.600 29.700 0.231 0.000 0.828 1221 E HN 0.690 nan 8.360 nan 0.000 0.481 1222 M N 1.376 121.137 119.600 0.268 0.000 2.393 1222 M HA 0.362 4.842 4.480 -0.000 0.000 0.299 1222 M C -2.091 174.351 176.300 0.238 0.000 1.103 1222 M CA -0.982 54.488 55.300 0.284 0.000 0.910 1222 M CB 2.110 34.847 32.600 0.229 0.000 1.659 1222 M HN -0.022 nan 8.290 nan 0.000 0.445 1223 L N 7.101 128.456 121.223 0.220 0.000 2.377 1223 L HA 0.682 5.022 4.340 -0.000 0.000 0.270 1223 L C -1.316 175.608 176.870 0.090 0.000 0.991 1223 L CA -0.259 54.663 54.840 0.138 0.000 0.851 1223 L CB 0.941 43.062 42.059 0.104 0.000 1.218 1223 L HN 0.937 nan 8.230 nan 0.000 0.420 1224 C N 1.818 121.234 119.300 0.193 0.000 2.493 1224 C HA 1.087 5.547 4.460 -0.000 0.000 0.326 1224 C C 0.315 175.460 174.990 0.259 0.000 1.200 1224 C CA 0.015 59.156 59.018 0.206 0.000 1.739 1224 C CB 0.687 28.538 27.740 0.187 0.000 2.300 1224 C HN 1.161 nan 8.230 nan 0.000 0.500 1225 G N 0.005 108.887 108.800 0.138 0.000 2.576 1225 G HA2 0.692 4.652 3.960 -0.000 0.000 0.290 1225 G HA3 0.692 4.652 3.960 -0.000 0.000 0.290 1225 G C -0.751 173.910 174.900 -0.397 0.000 1.442 1225 G CA -0.076 44.862 45.100 -0.271 0.000 0.792 1225 G HN 1.654 nan 8.290 nan 0.000 0.491 1226 G N 0.707 109.353 108.800 -0.257 0.000 4.332 1226 G HA2 0.606 4.566 3.960 -0.000 0.000 0.321 1226 G HA3 0.606 4.566 3.960 -0.000 0.000 0.321 1226 G C -2.795 171.867 174.900 -0.396 0.000 1.439 1226 G CA -1.107 43.833 45.100 -0.267 0.000 0.900 1226 G HN 0.419 nan 8.290 nan 0.000 0.515 1227 P HA 0.182 nan 4.420 nan 0.000 0.264 1227 P C -2.534 174.464 177.300 -0.504 0.000 1.193 1227 P CA -0.898 61.616 63.100 -0.977 0.000 0.763 1227 P CB 0.766 32.132 31.700 -0.556 0.000 0.810 1228 P HA 0.132 nan 4.420 nan 0.000 0.276 1228 P C -0.041 177.146 177.300 -0.189 0.000 1.230 1228 P CA 0.056 63.000 63.100 -0.261 0.000 0.776 1228 P CB 0.518 32.071 31.700 -0.244 0.000 0.888 1229 C N 2.043 121.252 119.300 -0.152 0.000 3.000 1229 C HA 0.116 4.576 4.460 -0.000 0.000 0.286 1229 C C 2.013 176.714 174.990 -0.482 0.000 1.343 1229 C CA 0.208 59.020 59.018 -0.343 0.000 1.742 1229 C CB -1.539 26.090 27.740 -0.184 0.000 2.200 1229 C HN 0.655 nan 8.230 nan 0.000 0.621 1230 Q N 0.728 120.372 119.800 -0.260 0.000 2.297 1230 Q HA -0.057 4.283 4.340 -0.000 0.000 0.208 1230 Q C 2.249 178.127 176.000 -0.204 0.000 0.981 1230 Q CA 1.811 57.485 55.803 -0.215 0.000 0.876 1230 Q CB -0.276 28.385 28.738 -0.129 0.000 0.921 1230 Q HN 0.740 nan 8.270 nan 0.000 0.446 1231 G N 0.394 109.100 108.800 -0.157 0.000 2.469 1231 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 1231 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 1231 G C 0.566 175.529 174.900 0.104 0.000 1.150 1231 G CA 1.112 46.232 45.100 0.034 0.000 0.763 1231 G HN 0.528 nan 8.290 nan 0.000 0.561 1232 F N 0.031 119.946 119.950 -0.058 0.000 2.677 1232 F HA 0.465 4.992 4.527 0.000 0.000 0.388 1232 F C 0.592 176.223 175.800 -0.281 0.000 1.400 1232 F CA -1.087 56.871 58.000 -0.069 0.000 1.162 1232 F CB -0.240 38.812 39.000 0.086 0.000 1.135 1232 F HN -0.005 nan 8.300 nan 0.000 0.516 1233 S N 0.228 115.526 115.700 -0.670 0.000 4.117 1233 S HA 0.572 5.042 4.470 -0.000 0.000 0.191 1233 S C 0.422 174.558 174.600 -0.773 0.000 1.308 1233 S CA 0.138 57.626 58.200 -1.187 0.000 0.906 1233 S CB -0.640 62.062 63.200 -0.831 0.000 1.565 1233 S HN 0.716 nan 8.310 nan 0.000 0.439 1234 G N 1.497 109.976 108.800 -0.535 0.000 2.453 1234 G HA2 0.563 4.522 3.960 -0.000 0.000 0.323 1234 G HA3 0.563 4.522 3.960 -0.000 0.000 0.323 1234 G C 0.499 175.325 174.900 -0.123 0.000 1.198 1234 G CA -0.870 44.099 45.100 -0.219 0.000 0.959 1234 G HN 0.390 nan 8.290 nan 0.000 0.482 1235 M N 0.455 120.030 119.600 -0.042 0.000 2.534 1235 M HA 0.149 4.629 4.480 -0.000 0.000 0.263 1235 M C 0.734 177.004 176.300 -0.051 0.000 1.152 1235 M CA 0.113 55.410 55.300 -0.004 0.000 1.145 1235 M CB -0.582 32.034 32.600 0.025 0.000 1.333 1235 M HN 0.370 nan 8.290 nan 0.000 0.477 1236 N N 1.199 119.866 118.700 -0.054 0.000 2.354 1236 N HA 0.135 4.875 4.740 -0.000 0.000 0.246 1236 N C 0.057 175.514 175.510 -0.090 0.000 1.285 1236 N CA 0.017 53.036 53.050 -0.050 0.000 0.925 1236 N CB 0.579 39.053 38.487 -0.021 0.000 1.174 1236 N HN 0.072 nan 8.380 nan 0.000 0.478 1237 R N 0.165 120.631 120.500 -0.057 0.000 2.679 1237 R HA 0.097 4.437 4.340 -0.000 0.000 0.268 1237 R C 0.073 176.380 176.300 0.011 0.000 1.044 1237 R CA -0.017 56.049 56.100 -0.057 0.000 1.105 1237 R CB 0.258 30.553 30.300 -0.007 0.000 0.989 1237 R HN 0.447 nan 8.270 nan 0.000 0.447 1238 F N 3.089 123.038 119.950 -0.002 0.000 2.602 1238 F HA -0.102 4.425 4.527 -0.000 0.000 0.367 1238 F C 1.404 177.209 175.800 0.009 0.000 1.126 1238 F CA 0.246 58.256 58.000 0.016 0.000 1.321 1238 F CB 0.417 39.436 39.000 0.030 0.000 1.094 1238 F HN 0.689 nan 8.300 nan 0.000 0.594 1239 N N 0.008 118.870 118.700 0.270 0.000 3.184 1239 N HA 0.235 4.975 4.740 -0.000 0.000 0.353 1239 N C 0.330 175.886 175.510 0.077 0.000 1.441 1239 N CA -0.296 52.828 53.050 0.124 0.000 0.723 1239 N CB 0.456 38.998 38.487 0.091 0.000 1.547 1239 N HN 0.430 nan 8.380 nan 0.000 0.624 1240 S N 0.504 116.229 115.700 0.042 0.000 2.344 1240 S HA -0.209 4.261 4.470 -0.000 0.000 0.217 1240 S C 1.720 176.349 174.600 0.049 0.000 1.033 1240 S CA 1.596 59.809 58.200 0.022 0.000 1.017 1240 S CB -0.624 62.584 63.200 0.013 0.000 0.941 1240 S HN 0.769 nan 8.310 nan 0.000 0.430 1241 R N 0.418 120.950 120.500 0.053 0.000 2.312 1241 R HA 0.270 4.610 4.340 -0.000 0.000 0.205 1241 R C 1.779 178.115 176.300 0.059 0.000 0.904 1241 R CA 0.753 56.883 56.100 0.049 0.000 1.052 1241 R CB -0.603 29.719 30.300 0.036 0.000 1.014 1241 R HN 0.249 nan 8.270 nan 0.000 0.503 1242 T N 0.292 114.904 114.554 0.096 0.000 2.942 1242 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 1242 T C 1.013 175.761 174.700 0.080 0.000 1.062 1242 T CA 0.806 62.992 62.100 0.142 0.000 1.139 1242 T CB -0.252 68.756 68.868 0.232 0.000 0.883 1242 T HN 0.442 nan 8.240 nan 0.000 0.468 1243 Y N 1.455 121.636 120.300 -0.198 0.000 2.457 1243 Y HA 0.133 4.683 4.550 0.000 0.000 0.292 1243 Y C 2.544 178.267 175.900 -0.296 0.000 1.125 1243 Y CA 1.272 59.012 58.100 -0.600 0.000 1.254 1243 Y CB -0.402 37.660 38.460 -0.664 0.000 1.012 1243 Y HN 0.259 nan 8.280 nan 0.000 0.555 1244 S N 0.790 116.449 115.700 -0.070 0.000 2.387 1244 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 1244 S C 2.104 176.618 174.600 -0.143 0.000 1.026 1244 S CA 1.752 59.901 58.200 -0.085 0.000 0.972 1244 S CB -0.844 62.355 63.200 -0.002 0.000 0.814 1244 S HN 0.447 nan 8.310 nan 0.000 0.477 1245 K N 0.381 120.723 120.400 -0.097 0.000 2.280 1245 K HA 0.117 4.437 4.320 -0.000 0.000 0.202 1245 K C 1.734 178.217 176.600 -0.195 0.000 1.047 1245 K CA 1.456 57.703 56.287 -0.067 0.000 0.942 1245 K CB -1.104 31.420 32.500 0.041 0.000 0.739 1245 K HN 0.632 nan 8.250 nan 0.000 0.457 1246 F N 1.523 121.128 119.950 -0.575 0.000 2.147 1246 F HA 0.066 4.593 4.527 -0.000 0.000 0.291 1246 F C 2.829 178.272 175.800 -0.594 0.000 1.093 1246 F CA 2.267 59.736 58.000 -0.885 0.000 1.263 1246 F CB -0.231 38.111 39.000 -1.097 0.000 1.036 1246 F HN 0.223 nan 8.300 nan 0.000 0.481 1247 K N 0.393 120.445 120.400 -0.579 0.000 2.362 1247 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 1247 K C 1.244 177.641 176.600 -0.338 0.000 1.045 1247 K CA 1.947 57.956 56.287 -0.464 0.000 0.936 1247 K CB -1.294 31.027 32.500 -0.299 0.000 0.747 1247 K HN 0.589 nan 8.250 nan 0.000 0.467 1248 N N 0.267 118.792 118.700 -0.292 0.000 2.187 1248 N HA 0.019 4.759 4.740 -0.000 0.000 0.212 1248 N C 0.192 175.620 175.510 -0.137 0.000 1.152 1248 N CA 0.543 53.494 53.050 -0.164 0.000 0.872 1248 N CB 0.634 39.064 38.487 -0.095 0.000 1.025 1248 N HN 0.592 nan 8.380 nan 0.000 0.514 1249 S N -0.148 115.404 115.700 -0.246 0.000 2.617 1249 S HA 0.221 4.691 4.470 -0.000 0.000 0.255 1249 S C 1.524 176.111 174.600 -0.022 0.000 1.318 1249 S CA -0.447 57.701 58.200 -0.087 0.000 0.978 1249 S CB 0.793 63.934 63.200 -0.098 0.000 0.961 1249 S HN 0.081 nan 8.310 nan 0.000 0.582 1250 L N 0.661 121.916 121.223 0.053 0.000 2.131 1250 L HA 0.009 4.349 4.340 -0.000 0.000 0.206 1250 L C 2.772 179.716 176.870 0.124 0.000 1.087 1250 L CA 0.971 55.845 54.840 0.058 0.000 0.767 1250 L CB -0.558 41.409 42.059 -0.154 0.000 0.917 1250 L HN 0.781 nan 8.230 nan 0.000 0.441 1251 V N -0.918 119.068 119.914 0.120 0.000 2.407 1251 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 1251 V C 2.187 178.425 176.094 0.240 0.000 1.055 1251 V CA 1.771 64.224 62.300 0.255 0.000 1.049 1251 V CB -0.035 32.026 31.823 0.396 0.000 0.662 1251 V HN 0.214 nan 8.190 nan 0.000 0.455 1252 V N 0.699 120.614 119.914 0.000 0.000 2.667 1252 V HA -0.132 3.988 4.120 -0.000 0.000 0.252 1252 V C 2.710 178.870 176.094 0.109 0.000 1.065 1252 V CA 2.042 64.311 62.300 -0.050 0.000 1.083 1252 V CB -0.528 31.107 31.823 -0.313 0.000 0.692 1252 V HN 0.656 nan 8.190 nan 0.000 0.468 1253 S N -0.141 115.674 115.700 0.191 0.000 2.371 1253 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 1253 S C 1.802 176.678 174.600 0.459 0.000 1.029 1253 S CA 1.084 59.463 58.200 0.299 0.000 0.978 1253 S CB -0.410 62.978 63.200 0.314 0.000 0.833 1253 S HN 0.518 nan 8.310 nan 0.000 0.466 1254 F N 2.814 122.940 119.950 0.293 0.000 2.091 1254 F HA -0.112 4.415 4.527 0.000 0.000 0.299 1254 F C 1.807 177.840 175.800 0.388 0.000 1.103 1254 F CA 1.107 59.293 58.000 0.309 0.000 1.228 1254 F CB -0.647 38.568 39.000 0.359 0.000 0.984 1254 F HN 0.115 nan 8.300 nan 0.000 0.477 1255 L N -1.462 119.973 121.223 0.354 0.000 2.141 1255 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 1255 L C 2.422 179.373 176.870 0.135 0.000 1.094 1255 L CA 1.200 56.146 54.840 0.176 0.000 0.763 1255 L CB -1.005 41.142 42.059 0.146 0.000 0.908 1255 L HN -0.001 nan 8.230 nan 0.000 0.437 1256 S N -1.159 114.649 115.700 0.181 0.000 2.402 1256 S HA -0.137 4.332 4.470 -0.000 0.000 0.229 1256 S C 1.874 176.541 174.600 0.112 0.000 1.021 1256 S CA 1.019 59.288 58.200 0.115 0.000 0.974 1256 S CB -0.230 63.025 63.200 0.092 0.000 0.800 1256 S HN 0.353 nan 8.310 nan 0.000 0.484 1257 Y N 0.047 120.387 120.300 0.067 0.000 2.163 1257 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 1257 Y C 2.936 178.925 175.900 0.148 0.000 1.136 1257 Y CA 1.027 59.200 58.100 0.123 0.000 1.147 1257 Y CB -0.506 38.036 38.460 0.137 0.000 0.987 1257 Y HN 0.335 nan 8.280 nan 0.000 0.509 1258 C N 0.199 119.631 119.300 0.220 0.000 2.429 1258 C HA -0.199 4.261 4.460 -0.000 0.000 0.277 1258 C C 2.597 177.643 174.990 0.094 0.000 1.262 1258 C CA 1.961 61.060 59.018 0.135 0.000 1.733 1258 C CB -1.064 26.620 27.740 -0.093 0.000 2.010 1258 C HN 0.655 nan 8.230 nan 0.000 0.483 1259 D N -1.673 118.754 120.400 0.045 0.000 2.117 1259 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 1259 D C 1.910 178.151 176.300 -0.098 0.000 0.987 1259 D CA 1.559 55.548 54.000 -0.017 0.000 0.829 1259 D CB -0.409 40.383 40.800 -0.012 0.000 0.961 1259 D HN 0.697 nan 8.370 nan 0.000 0.460 1260 Y N -0.786 119.382 120.300 -0.220 0.000 2.153 1260 Y HA -0.127 4.423 4.550 -0.000 0.000 0.289 1260 Y C 1.795 177.450 175.900 -0.409 0.000 1.127 1260 Y CA 1.579 59.443 58.100 -0.392 0.000 1.131 1260 Y CB -0.343 37.748 38.460 -0.615 0.000 0.995 1260 Y HN 0.022 nan 8.280 nan 0.000 0.505 1261 Y N -0.064 120.225 120.300 -0.018 0.000 2.395 1261 Y HA 0.013 4.563 4.550 0.000 0.000 0.293 1261 Y C 0.520 176.349 175.900 -0.118 0.000 1.123 1261 Y CA 0.696 58.752 58.100 -0.074 0.000 1.227 1261 Y CB 0.134 38.617 38.460 0.037 0.000 1.012 1261 Y HN -0.141 nan 8.280 nan 0.000 0.552 1262 R N -0.057 120.464 120.500 0.036 0.000 3.127 1262 R HA -0.148 4.192 4.340 -0.000 0.000 0.247 1262 R C -2.975 173.460 176.300 0.226 0.000 0.896 1262 R CA 0.225 56.312 56.100 -0.021 0.000 0.624 1262 R CB -2.294 27.672 30.300 -0.558 0.000 1.154 1262 R HN 0.289 nan 8.270 nan 0.000 0.474 1263 P HA 0.077 nan 4.420 nan 0.000 0.272 1263 P C 0.796 178.342 177.300 0.410 0.000 1.230 1263 P CA -0.303 63.009 63.100 0.353 0.000 0.788 1263 P CB 0.523 32.427 31.700 0.340 0.000 0.949 1264 R N 0.276 120.962 120.500 0.310 0.000 2.120 1264 R HA 0.010 4.350 4.340 -0.000 0.000 0.234 1264 R C 0.394 176.596 176.300 -0.164 0.000 1.123 1264 R CA 1.359 57.533 56.100 0.124 0.000 0.975 1264 R CB -0.320 30.112 30.300 0.220 0.000 0.866 1264 R HN 0.475 nan 8.270 nan 0.000 0.446 1265 F N -1.269 118.851 119.950 0.283 0.000 2.603 1265 F HA 0.419 4.946 4.527 0.000 0.000 0.317 1265 F C -0.666 175.302 175.800 0.282 0.000 1.066 1265 F CA -1.303 56.851 58.000 0.255 0.000 0.941 1265 F CB 1.846 40.930 39.000 0.141 0.000 1.291 1265 F HN -0.251 nan 8.300 nan 0.000 0.472 1266 F N 3.881 123.970 119.950 0.231 0.000 2.588 1266 F HA 0.625 5.152 4.527 0.000 0.000 0.318 1266 F C -2.255 173.636 175.800 0.151 0.000 1.155 1266 F CA -0.763 57.287 58.000 0.084 0.000 0.967 1266 F CB 1.278 40.172 39.000 -0.176 0.000 1.236 1266 F HN 0.387 nan 8.300 nan 0.000 0.455 1267 L N 8.488 129.512 121.223 -0.332 0.000 2.372 1267 L HA 0.566 4.906 4.340 -0.000 0.000 0.274 1267 L C -1.955 174.766 176.870 -0.249 0.000 0.988 1267 L CA -0.812 53.941 54.840 -0.144 0.000 0.833 1267 L CB 1.678 43.795 42.059 0.096 0.000 1.236 1267 L HN 0.815 nan 8.230 nan 0.000 0.410 1268 L N 5.007 126.142 121.223 -0.147 0.000 2.305 1268 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 1268 L C -0.629 176.171 176.870 -0.117 0.000 1.013 1268 L CA -0.385 54.437 54.840 -0.030 0.000 0.819 1268 L CB 1.657 43.826 42.059 0.184 0.000 1.227 1268 L HN 0.690 nan 8.230 nan 0.000 0.417 1269 E N 4.638 124.732 120.200 -0.177 0.000 2.212 1269 E HA 0.548 4.898 4.350 -0.000 0.000 0.268 1269 E C -1.480 174.994 176.600 -0.211 0.000 0.902 1269 E CA -0.686 55.611 56.400 -0.171 0.000 0.779 1269 E CB 1.867 31.484 29.700 -0.138 0.000 1.172 1269 E HN 0.512 nan 8.360 nan 0.000 0.409 1270 N N 1.002 119.587 118.700 -0.191 0.000 3.204 1270 N HA 0.334 5.073 4.740 -0.000 0.000 0.285 1270 N C -0.819 174.666 175.510 -0.041 0.000 1.536 1270 N CA -0.330 52.645 53.050 -0.125 0.000 0.832 1270 N CB 1.813 40.209 38.487 -0.151 0.000 1.645 1270 N HN 0.476 nan 8.380 nan 0.000 0.586 1271 V N 0.512 120.434 119.914 0.014 0.000 3.237 1271 V HA 0.242 4.362 4.120 -0.000 0.000 0.305 1271 V C 1.981 178.080 176.094 0.008 0.000 1.096 1271 V CA -0.221 62.087 62.300 0.013 0.000 1.130 1271 V CB 0.706 32.545 31.823 0.028 0.000 1.048 1271 V HN 0.748 nan 8.190 nan 0.000 0.484 1272 R N 1.391 121.892 120.500 0.002 0.000 2.105 1272 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 1272 R C 1.624 177.896 176.300 -0.046 0.000 1.135 1272 R CA 2.047 58.153 56.100 0.010 0.000 0.967 1272 R CB -0.765 29.548 30.300 0.022 0.000 0.861 1272 R HN 0.893 nan 8.270 nan 0.000 0.442 1273 N N 0.535 119.138 118.700 -0.161 0.000 2.520 1273 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 1273 N C 1.305 176.342 175.510 -0.788 0.000 1.068 1273 N CA 0.389 53.191 53.050 -0.412 0.000 0.911 1273 N CB -0.500 37.728 38.487 -0.431 0.000 0.961 1273 N HN 0.219 nan 8.380 nan 0.000 0.446 1274 F N 1.424 120.981 119.950 -0.656 0.000 2.176 1274 F HA -0.254 4.273 4.527 -0.000 0.000 0.301 1274 F C 1.931 177.552 175.800 -0.297 0.000 1.071 1274 F CA 1.140 58.861 58.000 -0.464 0.000 1.289 1274 F CB 0.019 38.936 39.000 -0.138 0.000 1.028 1274 F HN -0.023 nan 8.300 nan 0.000 0.494 1275 V N -1.683 118.213 119.914 -0.029 0.000 3.573 1275 V HA 0.063 4.183 4.120 -0.000 0.000 0.270 1275 V C 1.135 177.158 176.094 -0.118 0.000 1.221 1275 V CA 1.405 63.690 62.300 -0.025 0.000 1.163 1275 V CB -0.738 31.127 31.823 0.070 0.000 0.847 1275 V HN 0.445 nan 8.190 nan 0.000 0.468 1276 S N -2.998 112.595 115.700 -0.179 0.000 2.817 1276 S HA 0.349 4.818 4.470 -0.000 0.000 0.262 1276 S C 0.269 174.842 174.600 -0.045 0.000 1.051 1276 S CA -0.444 57.697 58.200 -0.098 0.000 1.185 1276 S CB -0.673 62.498 63.200 -0.048 0.000 1.152 1276 S HN 0.552 nan 8.310 nan 0.000 0.653 1277 Y N 3.360 123.565 120.300 -0.157 0.000 2.810 1277 Y HA 0.114 4.664 4.550 -0.000 0.000 0.332 1277 Y C 0.755 176.490 175.900 -0.275 0.000 1.243 1277 Y CA -0.360 57.626 58.100 -0.190 0.000 1.537 1277 Y CB 0.276 38.611 38.460 -0.208 0.000 1.265 1277 Y HN 0.100 nan 8.280 nan 0.000 0.572 1278 R N 2.586 122.993 120.500 -0.155 0.000 3.422 1278 R HA -0.242 4.097 4.340 -0.000 0.000 0.267 1278 R C -0.101 176.006 176.300 -0.322 0.000 1.074 1278 R CA 0.510 56.348 56.100 -0.437 0.000 0.718 1278 R CB -1.566 28.079 30.300 -1.093 0.000 1.157 1278 R HN 0.817 nan 8.270 nan 0.000 0.440 1279 R N -1.802 118.602 120.500 -0.160 0.000 3.516 1279 R HA -0.229 4.111 4.340 -0.000 0.000 0.271 1279 R C 0.085 176.325 176.300 -0.100 0.000 1.098 1279 R CA 1.156 57.196 56.100 -0.099 0.000 0.732 1279 R CB -2.540 27.710 30.300 -0.082 0.000 1.152 1279 R HN 0.628 nan 8.270 nan 0.000 0.455 1280 S N -2.249 113.376 115.700 -0.124 0.000 3.482 1280 S HA -0.192 4.278 4.470 -0.000 0.000 0.294 1280 S C 1.246 175.763 174.600 -0.138 0.000 1.244 1280 S CA 1.196 59.319 58.200 -0.128 0.000 0.911 1280 S CB -0.599 62.552 63.200 -0.081 0.000 1.070 1280 S HN 0.309 nan 8.310 nan 0.000 0.614 1281 M N 0.079 119.568 119.600 -0.185 0.000 2.419 1281 M HA 0.031 4.510 4.480 -0.000 0.000 0.264 1281 M C 2.070 178.296 176.300 -0.123 0.000 1.082 1281 M CA 1.151 56.377 55.300 -0.122 0.000 1.119 1281 M CB -1.016 31.512 32.600 -0.121 0.000 1.398 1281 M HN 0.435 nan 8.290 nan 0.000 0.453 1282 V N 0.196 119.980 119.914 -0.216 0.000 2.270 1282 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 1282 V C 2.385 178.416 176.094 -0.104 0.000 1.043 1282 V CA 1.371 63.558 62.300 -0.189 0.000 1.014 1282 V CB -1.119 30.562 31.823 -0.237 0.000 0.645 1282 V HN 0.333 nan 8.190 nan 0.000 0.447 1283 L N 0.310 121.421 121.223 -0.186 0.000 2.012 1283 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 1283 L C 2.415 179.276 176.870 -0.015 0.000 1.073 1283 L CA 2.003 56.822 54.840 -0.035 0.000 0.748 1283 L CB -0.853 41.093 42.059 -0.188 0.000 0.891 1283 L HN 0.197 nan 8.230 nan 0.000 0.431 1284 K N -0.804 119.562 120.400 -0.056 0.000 2.103 1284 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 1284 K C 2.113 178.743 176.600 0.051 0.000 1.048 1284 K CA 1.727 58.006 56.287 -0.013 0.000 0.930 1284 K CB -0.286 32.209 32.500 -0.007 0.000 0.716 1284 K HN 0.370 nan 8.250 nan 0.000 0.444 1285 L N 0.429 121.703 121.223 0.084 0.000 2.156 1285 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 1285 L C 2.773 179.769 176.870 0.211 0.000 1.095 1285 L CA 1.368 56.301 54.840 0.155 0.000 0.770 1285 L CB -0.649 41.512 42.059 0.171 0.000 0.914 1285 L HN 0.385 nan 8.230 nan 0.000 0.439 1286 T N -1.818 112.889 114.554 0.255 0.000 2.812 1286 T HA -0.142 4.208 4.350 -0.000 0.000 0.264 1286 T C 1.896 176.693 174.700 0.163 0.000 1.042 1286 T CA 0.818 63.085 62.100 0.278 0.000 1.140 1286 T CB -0.415 68.714 68.868 0.434 0.000 0.870 1286 T HN 0.184 nan 8.240 nan 0.000 0.445 1287 L N 0.570 121.869 121.223 0.127 0.000 2.012 1287 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 1287 L C 3.183 180.044 176.870 -0.014 0.000 1.073 1287 L CA 1.685 56.555 54.840 0.050 0.000 0.748 1287 L CB -0.558 41.522 42.059 0.034 0.000 0.891 1287 L HN 0.262 nan 8.230 nan 0.000 0.431 1288 R N -0.134 120.378 120.500 0.019 0.000 2.103 1288 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 1288 R C 2.356 178.693 176.300 0.061 0.000 1.142 1288 R CA 2.139 58.259 56.100 0.034 0.000 0.960 1288 R CB -1.399 28.945 30.300 0.074 0.000 0.858 1288 R HN 0.448 nan 8.270 nan 0.000 0.439 1289 C N -0.338 119.010 119.300 0.080 0.000 2.442 1289 C HA -0.007 4.453 4.460 -0.000 0.000 0.279 1289 C C 2.590 177.614 174.990 0.057 0.000 1.237 1289 C CA 0.980 60.044 59.018 0.076 0.000 1.722 1289 C CB -1.208 26.585 27.740 0.088 0.000 2.056 1289 C HN 0.639 nan 8.230 nan 0.000 0.469 1290 L N 0.407 121.638 121.223 0.013 0.000 2.013 1290 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 1290 L C 2.727 179.686 176.870 0.149 0.000 1.073 1290 L CA 1.949 56.800 54.840 0.017 0.000 0.753 1290 L CB -0.969 41.039 42.059 -0.084 0.000 0.890 1290 L HN 0.415 nan 8.230 nan 0.000 0.432 1291 V N -0.056 119.899 119.914 0.069 0.000 2.427 1291 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 1291 V C 2.758 178.947 176.094 0.158 0.000 1.051 1291 V CA 1.915 64.272 62.300 0.096 0.000 1.048 1291 V CB -0.422 31.371 31.823 -0.050 0.000 0.666 1291 V HN 0.471 nan 8.190 nan 0.000 0.456 1292 R N -0.512 120.068 120.500 0.133 0.000 2.096 1292 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 1292 R C 2.273 178.657 176.300 0.140 0.000 1.139 1292 R CA 2.618 58.797 56.100 0.132 0.000 0.952 1292 R CB -0.387 29.973 30.300 0.100 0.000 0.854 1292 R HN 0.551 nan 8.270 nan 0.000 0.436 1293 M N -1.242 118.463 119.600 0.174 0.000 2.279 1293 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 1293 M C 1.182 177.685 176.300 0.338 0.000 1.062 1293 M CA 1.560 56.992 55.300 0.220 0.000 1.099 1293 M CB 0.294 33.074 32.600 0.300 0.000 1.394 1293 M HN 0.592 nan 8.290 nan 0.000 0.426 1294 G N -0.665 108.298 108.800 0.272 0.000 2.141 1294 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.164 1294 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.164 1294 G C -0.401 174.524 174.900 0.042 0.000 1.009 1294 G CA -0.773 44.426 45.100 0.164 0.000 0.677 1294 G HN 0.382 nan 8.290 nan 0.000 0.508 1295 Y N 1.278 121.664 120.300 0.144 0.000 2.304 1295 Y HA 0.466 5.016 4.550 0.000 0.000 0.327 1295 Y C 1.367 177.331 175.900 0.105 0.000 1.209 1295 Y CA -0.085 58.067 58.100 0.086 0.000 1.299 1295 Y CB 0.702 39.215 38.460 0.088 0.000 1.249 1295 Y HN 0.294 nan 8.280 nan 0.000 0.519 1296 Q N 2.926 122.897 119.800 0.284 0.000 2.288 1296 Q HA 0.478 4.818 4.340 -0.000 0.000 0.254 1296 Q C -0.826 175.377 176.000 0.339 0.000 0.932 1296 Q CA -0.557 55.432 55.803 0.310 0.000 0.902 1296 Q CB 0.889 29.764 28.738 0.230 0.000 1.203 1296 Q HN 0.725 nan 8.270 nan 0.000 0.415 1297 C N -0.859 118.677 119.300 0.394 0.000 3.239 1297 C HA 0.899 5.359 4.460 -0.000 0.000 0.329 1297 C C -0.415 174.860 174.990 0.475 0.000 1.252 1297 C CA -0.636 58.607 59.018 0.376 0.000 1.323 1297 C CB 1.605 29.514 27.740 0.280 0.000 1.663 1297 C HN 0.920 nan 8.230 nan 0.000 0.487 1298 T N 0.485 115.307 114.554 0.447 0.000 2.787 1298 T HA 0.893 5.243 4.350 -0.000 0.000 0.297 1298 T C -1.469 173.559 174.700 0.546 0.000 1.221 1298 T CA -0.341 62.038 62.100 0.465 0.000 1.006 1298 T CB 1.597 70.685 68.868 0.366 0.000 1.328 1298 T HN 1.805 nan 8.240 nan 0.000 0.509 1299 F N -0.756 119.381 119.950 0.313 0.000 2.626 1299 F HA 0.942 5.468 4.527 -0.000 0.000 0.311 1299 F C -0.293 175.542 175.800 0.058 0.000 1.088 1299 F CA -0.599 57.574 58.000 0.289 0.000 0.949 1299 F CB 1.478 40.597 39.000 0.199 0.000 1.322 1299 F HN 0.893 nan 8.300 nan 0.000 0.461 1300 G N 0.441 109.312 108.800 0.118 0.000 2.576 1300 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 1300 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 1300 G C -2.535 172.412 174.900 0.078 0.000 1.442 1300 G CA -0.851 44.045 45.100 -0.341 0.000 0.792 1300 G HN 0.751 nan 8.290 nan 0.000 0.491 1301 V N 0.563 120.490 119.914 0.022 0.000 2.513 1301 V HA 0.694 4.814 4.120 -0.000 0.000 0.299 1301 V C -0.078 176.084 176.094 0.114 0.000 1.035 1301 V CA -0.551 61.814 62.300 0.108 0.000 0.889 1301 V CB 1.311 33.193 31.823 0.099 0.000 0.988 1301 V HN 0.613 nan 8.190 nan 0.000 0.440 1302 L N 3.522 124.837 121.223 0.154 0.000 2.370 1302 L HA 0.655 4.995 4.340 -0.000 0.000 0.266 1302 L C -0.677 176.272 176.870 0.133 0.000 1.002 1302 L CA -0.775 54.181 54.840 0.194 0.000 0.818 1302 L CB 2.222 44.420 42.059 0.231 0.000 1.325 1302 L HN 0.648 nan 8.230 nan 0.000 0.418 1303 Q N 1.357 121.235 119.800 0.131 0.000 2.333 1303 Q HA 0.512 4.852 4.340 -0.000 0.000 0.265 1303 Q C 0.134 176.115 176.000 -0.030 0.000 0.989 1303 Q CA -0.089 55.721 55.803 0.011 0.000 0.842 1303 Q CB 2.064 30.785 28.738 -0.028 0.000 1.262 1303 Q HN 0.695 nan 8.270 nan 0.000 0.451 1304 A N 3.722 126.490 122.820 -0.088 0.000 1.972 1304 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 1304 A C 1.712 179.123 177.584 -0.289 0.000 1.169 1304 A CA 1.626 53.615 52.037 -0.081 0.000 0.635 1304 A CB -1.129 17.805 19.000 -0.111 0.000 0.810 1304 A HN 0.962 nan 8.150 nan 0.000 0.446 1305 G N -0.560 107.799 108.800 -0.734 0.000 2.469 1305 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 1305 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 1305 G C 1.476 175.862 174.900 -0.857 0.000 1.136 1305 G CA 0.978 45.299 45.100 -1.298 0.000 0.759 1305 G HN 0.674 nan 8.290 nan 0.000 0.562 1306 Q N -0.950 118.446 119.800 -0.673 0.000 2.500 1306 Q HA -0.033 4.307 4.340 -0.000 0.000 0.213 1306 Q C 0.874 176.551 176.000 -0.538 0.000 0.974 1306 Q CA 0.665 56.178 55.803 -0.484 0.000 0.918 1306 Q CB -0.024 28.393 28.738 -0.535 0.000 0.980 1306 Q HN 0.774 nan 8.270 nan 0.000 0.505 1307 Y N -1.216 119.005 120.300 -0.131 0.000 2.612 1307 Y HA 0.332 4.881 4.550 -0.001 0.000 0.250 1307 Y C 0.933 176.767 175.900 -0.109 0.000 1.175 1307 Y CA -0.029 58.062 58.100 -0.016 0.000 1.205 1307 Y CB 1.607 40.051 38.460 -0.027 0.000 1.201 1307 Y HN 0.067 nan 8.280 nan 0.000 0.532 1308 G N 0.399 108.974 108.800 -0.375 0.000 2.247 1308 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.111 1308 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.111 1308 G C -1.151 173.565 174.900 -0.306 0.000 1.045 1308 G CA -0.425 44.265 45.100 -0.683 0.000 0.715 1308 G HN 0.054 nan 8.290 nan 0.000 0.485 1309 V N 0.073 119.775 119.914 -0.354 0.000 2.733 1309 V HA 0.734 4.854 4.120 -0.000 0.000 0.306 1309 V C 0.586 176.532 176.094 -0.248 0.000 1.084 1309 V CA -0.073 62.072 62.300 -0.260 0.000 0.905 1309 V CB 1.991 33.730 31.823 -0.140 0.000 1.010 1309 V HN 1.290 nan 8.190 nan 0.000 0.424 1310 A N 5.062 127.776 122.820 -0.177 0.000 3.029 1310 A HA 0.470 4.790 4.320 -0.000 0.000 0.251 1310 A C 0.190 177.932 177.584 0.263 0.000 1.749 1310 A CA 0.259 52.349 52.037 0.088 0.000 1.386 1310 A CB -0.406 18.672 19.000 0.130 0.000 1.043 1310 A HN 0.758 nan 8.150 nan 0.000 0.638 1311 Q N 0.225 120.090 119.800 0.108 0.000 2.320 1311 Q HA 0.297 4.637 4.340 -0.000 0.000 0.272 1311 Q C -1.381 174.621 176.000 0.004 0.000 1.023 1311 Q CA -0.489 55.415 55.803 0.168 0.000 0.855 1311 Q CB 1.553 30.326 28.738 0.058 0.000 1.367 1311 Q HN 0.275 nan 8.270 nan 0.000 0.406 1312 T N 3.690 118.314 114.554 0.116 0.000 2.814 1312 T HA 0.434 4.784 4.350 -0.000 0.000 0.297 1312 T C -0.351 174.370 174.700 0.035 0.000 0.956 1312 T CA -0.096 62.036 62.100 0.054 0.000 1.123 1312 T CB 0.312 69.267 68.868 0.146 0.000 0.902 1312 T HN 0.497 nan 8.240 nan 0.000 0.528 1313 R N 2.293 122.778 120.500 -0.024 0.000 2.867 1313 R HA 0.199 4.539 4.340 -0.000 0.000 0.288 1313 R C -1.146 175.147 176.300 -0.011 0.000 1.360 1313 R CA -0.514 55.580 56.100 -0.011 0.000 1.042 1313 R CB 0.730 31.009 30.300 -0.034 0.000 1.287 1313 R HN 0.559 nan 8.270 nan 0.000 0.404 1314 R N 3.696 124.207 120.500 0.018 0.000 2.294 1314 R HA 0.502 4.842 4.340 -0.000 0.000 0.319 1314 R C -0.404 175.913 176.300 0.029 0.000 0.984 1314 R CA -0.741 55.378 56.100 0.032 0.000 0.861 1314 R CB 1.782 32.109 30.300 0.045 0.000 1.104 1314 R HN 0.401 nan 8.270 nan 0.000 0.451 1315 R N 1.289 121.810 120.500 0.036 0.000 2.686 1315 R HA 0.501 4.841 4.340 -0.000 0.000 0.286 1315 R C -0.789 175.547 176.300 0.059 0.000 0.969 1315 R CA -0.930 55.185 56.100 0.025 0.000 0.898 1315 R CB 2.200 32.497 30.300 -0.006 0.000 1.183 1315 R HN 0.563 nan 8.270 nan 0.000 0.456 1316 A N 3.364 126.211 122.820 0.046 0.000 2.340 1316 A HA 0.607 4.926 4.320 -0.000 0.000 0.268 1316 A C -0.212 177.403 177.584 0.052 0.000 1.100 1316 A CA -0.312 51.777 52.037 0.086 0.000 0.803 1316 A CB 0.511 19.563 19.000 0.087 0.000 1.043 1316 A HN 0.517 nan 8.150 nan 0.000 0.488 1317 I N 2.008 122.689 120.570 0.184 0.000 2.607 1317 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 1317 I C -1.316 174.986 176.117 0.309 0.000 1.129 1317 I CA -0.368 61.044 61.300 0.187 0.000 1.042 1317 I CB 1.595 39.745 38.000 0.250 0.000 1.242 1317 I HN 0.380 nan 8.210 nan 0.000 0.421 1318 I N 6.239 126.936 120.570 0.212 0.000 2.404 1318 I HA 0.443 4.613 4.170 -0.000 0.000 0.293 1318 I C -0.133 176.174 176.117 0.316 0.000 0.992 1318 I CA -0.259 61.245 61.300 0.340 0.000 1.149 1318 I CB 1.579 39.798 38.000 0.365 0.000 1.315 1318 I HN 0.258 nan 8.210 nan 0.000 0.446 1319 L N 5.581 127.008 121.223 0.339 0.000 2.334 1319 L HA 0.917 5.257 4.340 -0.000 0.000 0.276 1319 L C -0.180 176.898 176.870 0.347 0.000 1.014 1319 L CA -0.686 54.327 54.840 0.288 0.000 0.815 1319 L CB 1.727 43.884 42.059 0.163 0.000 1.268 1319 L HN 0.709 nan 8.230 nan 0.000 0.428 1320 A N 2.312 125.346 122.820 0.356 0.000 2.498 1320 A HA 0.966 5.286 4.320 -0.000 0.000 0.298 1320 A C -1.340 176.395 177.584 0.250 0.000 1.075 1320 A CA -0.446 51.738 52.037 0.245 0.000 0.714 1320 A CB 2.082 21.045 19.000 -0.062 0.000 1.299 1320 A HN 0.777 nan 8.150 nan 0.000 0.407 1321 A N 0.359 123.348 122.820 0.282 0.000 2.488 1321 A HA 0.819 5.139 4.320 -0.000 0.000 0.298 1321 A C 0.081 177.720 177.584 0.093 0.000 1.044 1321 A CA 0.029 52.082 52.037 0.026 0.000 0.693 1321 A CB 0.868 19.806 19.000 -0.104 0.000 1.272 1321 A HN 2.554 nan 8.150 nan 0.000 0.402 1322 A N 3.260 126.012 122.820 -0.113 0.000 2.547 1322 A HA 0.486 4.806 4.320 -0.000 0.000 0.233 1322 A C -1.275 176.010 177.584 -0.497 0.000 1.067 1322 A CA -0.314 51.472 52.037 -0.418 0.000 0.763 1322 A CB -0.471 18.378 19.000 -0.252 0.000 1.007 1322 A HN 0.576 nan 8.150 nan 0.000 0.506 1323 P HA -0.199 nan 4.420 nan 0.000 0.217 1323 P C 1.509 178.629 177.300 -0.301 0.000 1.158 1323 P CA 2.262 65.035 63.100 -0.545 0.000 0.887 1323 P CB 0.003 31.229 31.700 -0.790 0.000 0.792 1324 G N -1.401 107.224 108.800 -0.291 0.000 2.776 1324 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.209 1324 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.209 1324 G C 0.631 175.476 174.900 -0.091 0.000 1.145 1324 G CA 0.264 45.277 45.100 -0.145 0.000 0.791 1324 G HN 0.236 nan 8.290 nan 0.000 0.530 1325 E N 0.122 120.247 120.200 -0.125 0.000 2.504 1325 E HA 0.393 4.743 4.350 -0.000 0.000 0.253 1325 E C -0.297 176.299 176.600 -0.006 0.000 1.151 1325 E CA -0.453 55.900 56.400 -0.077 0.000 0.972 1325 E CB 0.813 30.355 29.700 -0.263 0.000 1.247 1325 E HN 0.062 nan 8.360 nan 0.000 0.519 1326 K N 0.932 121.374 120.400 0.070 0.000 2.213 1326 K HA 0.287 4.607 4.320 -0.000 0.000 0.270 1326 K C -0.308 176.382 176.600 0.151 0.000 1.002 1326 K CA -0.908 55.439 56.287 0.100 0.000 0.868 1326 K CB 1.139 33.706 32.500 0.111 0.000 1.093 1326 K HN 0.144 nan 8.250 nan 0.000 0.454 1327 L N 5.565 126.870 121.223 0.137 0.000 2.534 1327 L HA 0.112 4.452 4.340 -0.000 0.000 0.271 1327 L C -2.312 174.664 176.870 0.177 0.000 1.178 1327 L CA -1.051 53.898 54.840 0.181 0.000 0.907 1327 L CB -0.146 42.027 42.059 0.190 0.000 1.164 1327 L HN 0.461 nan 8.230 nan 0.000 0.482 1328 P HA 0.201 nan 4.420 nan 0.000 0.271 1328 P C -0.652 176.697 177.300 0.082 0.000 1.244 1328 P CA -0.277 62.890 63.100 0.112 0.000 0.793 1328 P CB 0.531 32.270 31.700 0.064 0.000 0.984 1329 L N -0.599 120.653 121.223 0.048 0.000 2.397 1329 L HA 0.471 4.811 4.340 -0.000 0.000 0.266 1329 L C 0.390 177.295 176.870 0.059 0.000 1.040 1329 L CA -0.878 54.018 54.840 0.094 0.000 0.800 1329 L CB 0.376 42.471 42.059 0.061 0.000 1.324 1329 L HN 0.229 nan 8.230 nan 0.000 0.469 1330 F N 0.178 120.115 119.950 -0.022 0.000 2.370 1330 F HA 0.343 4.870 4.527 -0.000 0.000 0.324 1330 F C -1.843 173.973 175.800 0.027 0.000 1.116 1330 F CA -1.663 56.338 58.000 0.002 0.000 1.123 1330 F CB 0.657 39.658 39.000 0.002 0.000 1.238 1330 F HN 0.154 nan 8.300 nan 0.000 0.536 1331 P HA 0.110 nan 4.420 nan 0.000 0.274 1331 P C -1.338 176.162 177.300 0.333 0.000 1.237 1331 P CA -0.373 62.839 63.100 0.187 0.000 0.793 1331 P CB 0.652 32.371 31.700 0.031 0.000 0.977 1332 E N 2.047 122.417 120.200 0.284 0.000 2.174 1332 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 1332 E C -2.258 174.438 176.600 0.159 0.000 0.992 1332 E CA -2.564 53.955 56.400 0.197 0.000 0.803 1332 E CB -0.179 29.596 29.700 0.126 0.000 1.090 1332 E HN 0.272 nan 8.360 nan 0.000 0.396 1333 P HA -0.109 nan 4.420 nan 0.000 0.263 1333 P C -0.069 177.111 177.300 -0.199 0.000 1.168 1333 P CA 0.662 63.520 63.100 -0.404 0.000 0.759 1333 P CB 0.475 31.994 31.700 -0.301 0.000 0.782 1334 L N 1.482 122.623 121.223 -0.136 0.000 2.425 1334 L HA 0.134 4.474 4.340 -0.000 0.000 0.215 1334 L C 0.989 177.839 176.870 -0.033 0.000 1.065 1334 L CA 0.426 55.302 54.840 0.060 0.000 0.842 1334 L CB -0.216 42.043 42.059 0.333 0.000 1.033 1334 L HN 0.473 nan 8.230 nan 0.000 0.474 1335 H N 0.272 119.302 119.070 -0.065 0.000 2.569 1335 H HA 0.368 4.924 4.556 -0.000 0.000 0.357 1335 H C -0.565 174.723 175.328 -0.067 0.000 1.153 1335 H CA -0.953 55.086 56.048 -0.015 0.000 1.193 1335 H CB 2.593 32.364 29.762 0.014 0.000 1.602 1335 H HN -0.184 nan 8.280 nan 0.000 0.523 1336 V N 0.807 120.764 119.914 0.071 0.000 2.740 1336 V HA 0.298 4.418 4.120 -0.000 0.000 0.303 1336 V C -0.266 175.947 176.094 0.197 0.000 1.054 1336 V CA -0.062 62.267 62.300 0.049 0.000 1.106 1336 V CB 0.049 31.875 31.823 0.005 0.000 0.957 1336 V HN 0.584 nan 8.190 nan 0.000 0.486 1337 F N 2.073 121.987 119.950 -0.060 0.000 2.631 1337 F HA 0.731 5.257 4.527 -0.001 0.000 0.308 1337 F C 0.497 176.264 175.800 -0.055 0.000 1.097 1337 F CA -0.657 57.298 58.000 -0.075 0.000 0.952 1337 F CB 1.651 40.568 39.000 -0.138 0.000 1.307 1337 F HN 0.972 nan 8.300 nan 0.000 0.450 1338 A N 5.287 127.693 122.820 -0.690 0.000 2.580 1338 A HA 0.178 4.498 4.320 -0.000 0.000 0.244 1338 A C -2.085 175.393 177.584 -0.176 0.000 1.045 1338 A CA -0.611 51.202 52.037 -0.374 0.000 0.761 1338 A CB -0.439 18.338 19.000 -0.372 0.000 0.962 1338 A HN 0.601 nan 8.150 nan 0.000 0.512 1339 P HA -0.154 nan 4.420 nan 0.000 0.218 1339 P C 2.012 179.312 177.300 0.001 0.000 1.148 1339 P CA 2.121 65.211 63.100 -0.016 0.000 0.822 1339 P CB 0.085 31.778 31.700 -0.011 0.000 0.784 1340 R N 0.190 120.686 120.500 -0.005 0.000 2.115 1340 R HA 0.177 4.517 4.340 -0.000 0.000 0.226 1340 R C 2.152 178.474 176.300 0.037 0.000 1.100 1340 R CA 1.621 57.732 56.100 0.019 0.000 0.980 1340 R CB -1.999 28.317 30.300 0.027 0.000 0.875 1340 R HN 0.289 nan 8.270 nan 0.000 0.445 1341 A N -1.109 121.727 122.820 0.027 0.000 2.235 1341 A HA 0.206 4.526 4.320 -0.000 0.000 0.208 1341 A C 1.142 178.801 177.584 0.126 0.000 1.172 1341 A CA 0.851 52.940 52.037 0.087 0.000 0.786 1341 A CB -0.524 18.532 19.000 0.093 0.000 0.804 1341 A HN 0.548 nan 8.150 nan 0.000 0.479 1342 C N -0.015 119.339 119.300 0.090 0.000 2.660 1342 C HA 0.510 4.970 4.460 -0.000 0.000 0.265 1342 C C 1.048 176.071 174.990 0.055 0.000 1.573 1342 C CA 0.036 59.104 59.018 0.084 0.000 1.751 1342 C CB -0.997 26.794 27.740 0.086 0.000 3.033 1342 C HN 0.703 nan 8.230 nan 0.000 0.511 1343 Q N 0.703 120.535 119.800 0.052 0.000 2.402 1343 Q HA 0.527 4.867 4.340 -0.000 0.000 0.238 1343 Q C 0.382 176.413 176.000 0.051 0.000 1.126 1343 Q CA 0.245 56.075 55.803 0.045 0.000 0.904 1343 Q CB -0.261 28.502 28.738 0.042 0.000 1.357 1343 Q HN 0.845 nan 8.270 nan 0.000 0.491 1344 L N 0.935 122.186 121.223 0.046 0.000 2.585 1344 L HA 0.135 4.475 4.340 -0.000 0.000 0.226 1344 L C 1.073 177.972 176.870 0.049 0.000 1.113 1344 L CA 0.207 55.075 54.840 0.047 0.000 0.876 1344 L CB 0.200 42.279 42.059 0.034 0.000 1.072 1344 L HN 0.647 nan 8.230 nan 0.000 0.468 1345 S N 0.450 116.182 115.700 0.054 0.000 2.592 1345 S HA 0.470 4.940 4.470 -0.000 0.000 0.271 1345 S C -0.300 174.368 174.600 0.113 0.000 1.326 1345 S CA -0.629 57.615 58.200 0.073 0.000 1.024 1345 S CB 2.330 65.562 63.200 0.054 0.000 0.921 1345 S HN 0.022 nan 8.310 nan 0.000 0.527 1346 V N 1.784 121.807 119.914 0.182 0.000 2.760 1346 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 1346 V C -1.132 175.139 176.094 0.296 0.000 1.077 1346 V CA -0.746 61.694 62.300 0.233 0.000 0.910 1346 V CB 1.902 33.914 31.823 0.315 0.000 1.008 1346 V HN 0.873 nan 8.190 nan 0.000 0.424 1347 V N 6.490 126.534 119.914 0.217 0.000 2.398 1347 V HA 0.643 4.763 4.120 -0.000 0.000 0.286 1347 V C -0.341 175.889 176.094 0.228 0.000 1.026 1347 V CA -0.399 62.029 62.300 0.214 0.000 0.868 1347 V CB 1.587 33.477 31.823 0.112 0.000 0.982 1347 V HN 0.763 nan 8.190 nan 0.000 0.443 1348 V N 3.486 123.598 119.914 0.330 0.000 2.525 1348 V HA 0.453 4.573 4.120 -0.000 0.000 0.299 1348 V C -0.332 175.906 176.094 0.240 0.000 1.034 1348 V CA -0.721 61.731 62.300 0.253 0.000 0.863 1348 V CB 1.555 33.525 31.823 0.246 0.000 0.999 1348 V HN 0.935 nan 8.190 nan 0.000 0.423 1349 D N 3.434 123.913 120.400 0.132 0.000 2.697 1349 D HA -0.177 4.463 4.640 -0.000 0.000 0.238 1349 D C 0.560 176.914 176.300 0.089 0.000 1.152 1349 D CA 1.335 55.396 54.000 0.101 0.000 0.666 1349 D CB -0.724 40.144 40.800 0.113 0.000 1.037 1349 D HN 0.926 nan 8.370 nan 0.000 0.423 1350 D N -1.677 118.766 120.400 0.072 0.000 2.955 1350 D HA -0.237 4.403 4.640 -0.000 0.000 0.226 1350 D C 0.234 176.545 176.300 0.018 0.000 1.178 1350 D CA 1.255 55.279 54.000 0.040 0.000 0.808 1350 D CB -0.705 40.107 40.800 0.021 0.000 1.099 1350 D HN 0.532 nan 8.370 nan 0.000 0.421 1351 K N 0.253 120.679 120.400 0.043 0.000 2.207 1351 K HA 0.382 4.702 4.320 -0.000 0.000 0.255 1351 K C 0.278 176.774 176.600 -0.174 0.000 0.941 1351 K CA -0.653 55.573 56.287 -0.101 0.000 0.825 1351 K CB 2.279 34.711 32.500 -0.113 0.000 1.119 1351 K HN -0.125 nan 8.250 nan 0.000 0.430 1352 K N 3.662 123.867 120.400 -0.325 0.000 2.240 1352 K HA 0.304 4.624 4.320 -0.000 0.000 0.271 1352 K C -1.344 175.006 176.600 -0.417 0.000 1.018 1352 K CA -0.386 55.774 56.287 -0.213 0.000 0.874 1352 K CB 0.498 32.923 32.500 -0.125 0.000 1.098 1352 K HN 0.334 nan 8.250 nan 0.000 0.458 1353 F N 3.275 123.259 119.950 0.057 0.000 2.522 1353 F HA 0.449 4.976 4.527 -0.000 0.000 0.324 1353 F C 0.070 175.851 175.800 -0.031 0.000 1.077 1353 F CA -0.845 57.162 58.000 0.012 0.000 0.944 1353 F CB 1.906 40.950 39.000 0.073 0.000 1.175 1353 F HN 0.231 nan 8.300 nan 0.000 0.468 1354 V N -1.268 118.717 119.914 0.117 0.000 3.160 1354 V HA 0.847 4.967 4.120 -0.000 0.000 0.310 1354 V C -0.436 175.693 176.094 0.059 0.000 1.181 1354 V CA -1.034 61.302 62.300 0.060 0.000 1.047 1354 V CB 1.330 33.197 31.823 0.073 0.000 1.068 1354 V HN 0.821 nan 8.190 nan 0.000 0.441 1355 S N 0.342 115.988 115.700 -0.090 0.000 2.713 1355 S HA 0.312 4.782 4.470 -0.000 0.000 0.283 1355 S C 0.812 175.271 174.600 -0.235 0.000 1.161 1355 S CA 0.084 58.114 58.200 -0.283 0.000 0.999 1355 S CB 0.810 63.634 63.200 -0.626 0.000 1.039 1355 S HN 1.276 nan 8.310 nan 0.000 0.548 1356 N N 0.541 118.881 118.700 -0.600 0.000 2.588 1356 N HA -0.089 4.651 4.740 -0.000 0.000 0.190 1356 N C 0.238 175.639 175.510 -0.181 0.000 1.094 1356 N CA 0.567 53.192 53.050 -0.707 0.000 0.921 1356 N CB -0.909 37.236 38.487 -0.570 0.000 0.959 1356 N HN 0.668 nan 8.380 nan 0.000 0.448 1357 I N 0.533 121.059 120.570 -0.073 0.000 2.821 1357 I HA -0.145 4.025 4.170 -0.000 0.000 0.294 1357 I C 0.855 176.994 176.117 0.037 0.000 1.210 1357 I CA 0.469 61.781 61.300 0.019 0.000 1.430 1357 I CB 0.646 38.670 38.000 0.041 0.000 1.356 1357 I HN 0.255 nan 8.210 nan 0.000 0.563 1358 T N 5.088 119.671 114.554 0.047 0.000 3.042 1358 T HA 0.092 4.442 4.350 -0.000 0.000 0.245 1358 T C 0.931 175.661 174.700 0.050 0.000 1.029 1358 T CA 0.067 62.201 62.100 0.056 0.000 1.120 1358 T CB 0.187 69.094 68.868 0.064 0.000 0.917 1358 T HN 0.449 nan 8.240 nan 0.000 0.467 1359 R N 2.680 123.205 120.500 0.041 0.000 2.606 1359 R HA 0.179 4.519 4.340 -0.000 0.000 0.276 1359 R C 0.802 177.095 176.300 -0.012 0.000 1.416 1359 R CA -0.062 56.045 56.100 0.012 0.000 1.064 1359 R CB -0.150 30.119 30.300 -0.052 0.000 1.117 1359 R HN 0.398 nan 8.270 nan 0.000 0.543 1360 L N 0.548 121.774 121.223 0.005 0.000 2.068 1360 L HA -0.169 4.171 4.340 -0.000 0.000 0.204 1360 L C 2.100 178.962 176.870 -0.014 0.000 1.076 1360 L CA 1.580 56.420 54.840 0.001 0.000 0.753 1360 L CB -0.305 41.760 42.059 0.011 0.000 0.910 1360 L HN 0.556 nan 8.230 nan 0.000 0.439 1361 S N -2.404 113.283 115.700 -0.021 0.000 2.998 1361 S HA 0.083 4.553 4.470 -0.000 0.000 0.208 1361 S C 1.176 175.727 174.600 -0.082 0.000 0.876 1361 S CA -0.122 58.058 58.200 -0.033 0.000 0.836 1361 S CB 0.001 63.191 63.200 -0.016 0.000 0.817 1361 S HN 0.152 nan 8.310 nan 0.000 0.631 1362 S N 0.381 116.015 115.700 -0.110 0.000 2.641 1362 S HA 0.687 5.157 4.470 -0.000 0.000 0.261 1362 S C 0.157 174.419 174.600 -0.563 0.000 1.257 1362 S CA 0.160 58.203 58.200 -0.262 0.000 0.983 1362 S CB 0.534 63.629 63.200 -0.175 0.000 0.990 1362 S HN 1.018 nan 8.310 nan 0.000 0.572 1363 G N 0.149 108.419 108.800 -0.883 0.000 2.559 1363 G HA2 0.459 4.419 3.960 -0.000 0.000 0.291 1363 G HA3 0.459 4.419 3.960 -0.000 0.000 0.291 1363 G C -2.865 171.411 174.900 -1.040 0.000 1.424 1363 G CA -0.802 43.698 45.100 -1.000 0.000 0.786 1363 G HN 0.386 nan 8.290 nan 0.000 0.485 1364 P HA 0.083 nan 4.420 nan 0.000 0.217 1364 P C 0.009 176.863 177.300 -0.743 0.000 1.150 1364 P CA 1.063 63.644 63.100 -0.865 0.000 0.832 1364 P CB 0.082 31.165 31.700 -1.029 0.000 0.787 1365 F N -1.579 118.198 119.950 -0.287 0.000 2.575 1365 F HA 0.409 4.936 4.527 0.001 0.000 0.330 1365 F C 1.119 176.804 175.800 -0.192 0.000 1.056 1365 F CA -1.509 56.306 58.000 -0.310 0.000 0.964 1365 F CB 1.073 39.637 39.000 -0.726 0.000 1.258 1365 F HN -0.429 nan 8.300 nan 0.000 0.484 1366 R N -0.515 120.072 120.500 0.144 0.000 2.679 1366 R HA 0.334 4.674 4.340 -0.000 0.000 0.269 1366 R C -0.142 176.317 176.300 0.265 0.000 1.076 1366 R CA -0.676 55.526 56.100 0.170 0.000 1.160 1366 R CB 0.264 30.677 30.300 0.189 0.000 1.054 1366 R HN 0.576 nan 8.270 nan 0.000 0.507 1367 T N 1.468 116.166 114.554 0.239 0.000 2.919 1367 T HA 0.183 4.532 4.350 -0.000 0.000 0.302 1367 T C 0.479 175.304 174.700 0.209 0.000 1.031 1367 T CA -0.655 61.607 62.100 0.270 0.000 1.127 1367 T CB 0.228 69.252 68.868 0.259 0.000 0.952 1367 T HN 0.305 nan 8.240 nan 0.000 0.540 1368 I N 5.428 126.065 120.570 0.111 0.000 2.441 1368 I HA 0.234 4.404 4.170 -0.000 0.000 0.287 1368 I C 1.351 177.487 176.117 0.033 0.000 1.049 1368 I CA -0.210 61.077 61.300 -0.021 0.000 1.381 1368 I CB 0.388 38.188 38.000 -0.334 0.000 1.409 1368 I HN 0.784 nan 8.210 nan 0.000 0.523 1369 T N 2.118 116.698 114.554 0.043 0.000 2.948 1369 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 1369 T C 1.248 176.018 174.700 0.116 0.000 1.019 1369 T CA -0.759 61.403 62.100 0.103 0.000 1.013 1369 T CB 1.872 70.797 68.868 0.095 0.000 1.117 1369 T HN 0.209 nan 8.240 nan 0.000 0.533 1370 V N 0.817 120.824 119.914 0.155 0.000 2.392 1370 V HA -0.141 3.979 4.120 -0.000 0.000 0.249 1370 V C 2.992 179.271 176.094 0.309 0.000 1.059 1370 V CA 2.092 64.503 62.300 0.184 0.000 1.051 1370 V CB -0.939 30.852 31.823 -0.053 0.000 0.658 1370 V HN 0.894 nan 8.190 nan 0.000 0.455 1371 R N 0.073 120.786 120.500 0.354 0.000 2.070 1371 R HA -0.192 4.148 4.340 -0.000 0.000 0.233 1371 R C 2.061 178.447 176.300 0.144 0.000 1.137 1371 R CA 2.113 58.394 56.100 0.302 0.000 0.945 1371 R CB -0.421 29.864 30.300 -0.025 0.000 0.845 1371 R HN 0.473 nan 8.270 nan 0.000 0.430 1372 D N -0.528 119.933 120.400 0.101 0.000 2.221 1372 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 1372 D C 1.572 178.005 176.300 0.221 0.000 0.982 1372 D CA 1.384 55.461 54.000 0.128 0.000 0.857 1372 D CB -0.102 40.752 40.800 0.089 0.000 0.934 1372 D HN 0.305 nan 8.370 nan 0.000 0.475 1373 T N 0.077 114.756 114.554 0.208 0.000 2.894 1373 T HA 0.022 4.371 4.350 -0.000 0.000 0.258 1373 T C 1.454 176.354 174.700 0.333 0.000 1.043 1373 T CA 0.835 63.123 62.100 0.313 0.000 1.141 1373 T CB 0.174 69.193 68.868 0.251 0.000 0.873 1373 T HN 0.272 nan 8.240 nan 0.000 0.449 1374 M N -0.031 119.753 119.600 0.307 0.000 4.307 1374 M HA 0.401 4.881 4.480 -0.000 0.000 0.538 1374 M C 0.794 177.289 176.300 0.326 0.000 1.979 1374 M CA -0.309 55.163 55.300 0.288 0.000 0.596 1374 M CB 0.363 33.150 32.600 0.311 0.000 1.471 1374 M HN 0.077 nan 8.290 nan 0.000 0.585 1375 S N -0.652 115.187 115.700 0.233 0.000 2.478 1375 S HA -0.059 4.411 4.470 -0.000 0.000 0.222 1375 S C 1.212 175.865 174.600 0.089 0.000 1.008 1375 S CA 1.037 59.313 58.200 0.127 0.000 0.928 1375 S CB -0.382 62.767 63.200 -0.086 0.000 0.781 1375 S HN 0.696 nan 8.310 nan 0.000 0.518 1376 D N 1.608 122.059 120.400 0.085 0.000 2.349 1376 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 1376 D C 0.502 176.879 176.300 0.128 0.000 1.029 1376 D CA -0.056 53.985 54.000 0.068 0.000 0.879 1376 D CB -0.346 40.463 40.800 0.014 0.000 0.906 1376 D HN 0.394 nan 8.370 nan 0.000 0.528 1377 L N 1.235 122.551 121.223 0.156 0.000 2.349 1377 L HA 0.309 4.649 4.340 -0.000 0.000 0.275 1377 L C -1.913 175.093 176.870 0.225 0.000 1.115 1377 L CA -1.829 53.099 54.840 0.147 0.000 0.820 1377 L CB 0.265 42.341 42.059 0.028 0.000 1.135 1377 L HN -0.270 nan 8.230 nan 0.000 0.445 1378 P HA -0.032 nan 4.420 nan 0.000 0.269 1378 P C -0.515 176.886 177.300 0.168 0.000 1.211 1378 P CA -0.209 62.997 63.100 0.176 0.000 0.781 1378 P CB 0.481 32.272 31.700 0.152 0.000 0.877 1379 E N 1.967 122.204 120.200 0.061 0.000 2.289 1379 E HA 0.319 4.669 4.350 -0.000 0.000 0.278 1379 E C -0.403 176.150 176.600 -0.080 0.000 1.032 1379 E CA -0.516 55.872 56.400 -0.020 0.000 0.854 1379 E CB 0.187 29.865 29.700 -0.037 0.000 1.046 1379 E HN 0.376 nan 8.360 nan 0.000 0.409 1380 I N 0.223 120.698 120.570 -0.158 0.000 3.002 1380 I HA 0.441 4.610 4.170 -0.000 0.000 0.310 1380 I C -0.571 175.459 176.117 -0.145 0.000 1.087 1380 I CA -1.136 60.053 61.300 -0.185 0.000 1.017 1380 I CB 2.035 39.834 38.000 -0.333 0.000 1.226 1380 I HN 0.388 nan 8.210 nan 0.000 0.443 1381 Q N 2.261 121.997 119.800 -0.106 0.000 2.169 1381 Q HA 0.286 4.626 4.340 -0.000 0.000 0.234 1381 Q C -0.571 175.398 176.000 -0.052 0.000 0.980 1381 Q CA -0.767 54.995 55.803 -0.068 0.000 0.941 1381 Q CB 0.888 29.599 28.738 -0.045 0.000 1.199 1381 Q HN 0.718 nan 8.270 nan 0.000 0.496 1382 N N -0.161 118.527 118.700 -0.020 0.000 2.440 1382 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 1382 N C 0.491 175.995 175.510 -0.011 0.000 1.239 1382 N CA 1.173 54.220 53.050 -0.004 0.000 0.909 1382 N CB 0.084 38.582 38.487 0.018 0.000 1.066 1382 N HN 0.798 nan 8.380 nan 0.000 0.474 1383 G N 2.221 111.014 108.800 -0.011 0.000 2.213 1383 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 1383 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 1383 G C 0.235 175.120 174.900 -0.025 0.000 0.991 1383 G CA 0.089 45.182 45.100 -0.011 0.000 0.629 1383 G HN 1.013 nan 8.290 nan 0.000 0.517 1384 A N 0.878 123.671 122.820 -0.044 0.000 2.550 1384 A HA 0.415 4.735 4.320 -0.000 0.000 0.273 1384 A C 1.652 179.204 177.584 -0.052 0.000 1.017 1384 A CA 1.985 53.983 52.037 -0.064 0.000 0.910 1384 A CB -0.140 18.791 19.000 -0.115 0.000 0.891 1384 A HN 1.957 nan 8.150 nan 0.000 0.507 1385 S N 2.389 118.063 115.700 -0.043 0.000 2.524 1385 S HA 0.025 4.495 4.470 -0.000 0.000 0.215 1385 S C 0.650 175.226 174.600 -0.040 0.000 0.986 1385 S CA -0.058 58.120 58.200 -0.037 0.000 0.911 1385 S CB -0.159 63.022 63.200 -0.031 0.000 0.805 1385 S HN 0.719 nan 8.310 nan 0.000 0.501 1386 N N 2.758 121.432 118.700 -0.043 0.000 2.411 1386 N HA 0.122 4.862 4.740 -0.000 0.000 0.282 1386 N C 0.098 175.586 175.510 -0.037 0.000 1.322 1386 N CA 0.227 53.253 53.050 -0.041 0.000 0.943 1386 N CB 0.420 38.881 38.487 -0.042 0.000 1.266 1386 N HN 0.278 nan 8.380 nan 0.000 0.486 1387 S N 2.223 117.900 115.700 -0.038 0.000 2.603 1387 S HA 0.067 4.537 4.470 -0.000 0.000 0.220 1387 S C -0.160 174.414 174.600 -0.044 0.000 0.967 1387 S CA 0.331 58.510 58.200 -0.036 0.000 0.920 1387 S CB 0.158 63.332 63.200 -0.043 0.000 0.773 1387 S HN 0.561 nan 8.310 nan 0.000 0.529 1388 E N 1.031 121.202 120.200 -0.048 0.000 2.294 1388 E HA 0.431 4.781 4.350 -0.000 0.000 0.272 1388 E C -0.955 175.607 176.600 -0.063 0.000 0.896 1388 E CA -0.314 56.047 56.400 -0.065 0.000 0.802 1388 E CB 1.707 31.371 29.700 -0.060 0.000 1.267 1388 E HN 0.337 nan 8.360 nan 0.000 0.406 1389 I N -0.837 119.682 120.570 -0.085 0.000 3.095 1389 I HA 0.725 4.895 4.170 -0.000 0.000 0.310 1389 I C -2.841 173.205 176.117 -0.118 0.000 1.196 1389 I CA -2.860 58.397 61.300 -0.072 0.000 0.985 1389 I CB 2.475 40.450 38.000 -0.042 0.000 1.250 1389 I HN 0.169 nan 8.210 nan 0.000 0.446 1390 P HA 0.215 nan 4.420 nan 0.000 0.279 1390 P C -1.487 175.771 177.300 -0.071 0.000 1.252 1390 P CA -0.087 62.971 63.100 -0.070 0.000 0.811 1390 P CB 0.467 32.167 31.700 0.000 0.000 1.035 1391 Y N 0.762 121.052 120.300 -0.017 0.000 2.584 1391 Y HA 0.064 4.612 4.550 -0.003 0.000 0.351 1391 Y C 1.574 177.477 175.900 0.004 0.000 1.030 1391 Y CA 0.424 58.517 58.100 -0.012 0.000 1.332 1391 Y CB -0.633 37.804 38.460 -0.040 0.000 1.148 1391 Y HN 0.219 nan 8.280 nan 0.000 0.528 1392 N N 3.744 122.537 118.700 0.155 0.000 3.124 1392 N HA 0.308 5.048 4.740 -0.000 0.000 0.284 1392 N C 0.055 175.625 175.510 0.100 0.000 1.209 1392 N CA 0.260 53.374 53.050 0.107 0.000 1.149 1392 N CB 0.117 38.650 38.487 0.076 0.000 1.434 1392 N HN 0.969 nan 8.380 nan 0.000 0.529 1393 G N 0.644 109.502 108.800 0.096 0.000 2.347 1393 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.321 1393 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.321 1393 G C -1.173 173.736 174.900 0.014 0.000 1.412 1393 G CA -0.785 44.349 45.100 0.058 0.000 0.990 1393 G HN 0.143 nan 8.290 nan 0.000 0.637 1394 E N -0.133 120.060 120.200 -0.012 0.000 2.292 1394 E HA 0.525 4.875 4.350 -0.000 0.000 0.258 1394 E C -2.195 174.344 176.600 -0.102 0.000 1.115 1394 E CA -1.468 54.892 56.400 -0.066 0.000 0.929 1394 E CB 0.597 30.279 29.700 -0.031 0.000 1.161 1394 E HN 0.233 nan 8.360 nan 0.000 0.453 1395 P HA 0.069 nan 4.420 nan 0.000 0.265 1395 P C -0.054 177.162 177.300 -0.140 0.000 1.193 1395 P CA 0.433 63.442 63.100 -0.152 0.000 0.765 1395 P CB 0.315 31.915 31.700 -0.167 0.000 0.823 1396 L N 0.568 121.681 121.223 -0.184 0.000 3.066 1396 L HA 0.471 4.811 4.340 -0.000 0.000 0.265 1396 L C 0.942 177.580 176.870 -0.387 0.000 1.232 1396 L CA 0.060 54.649 54.840 -0.418 0.000 1.031 1396 L CB -0.247 41.563 42.059 -0.416 0.000 1.379 1396 L HN 0.402 nan 8.230 nan 0.000 0.563 1397 S N -1.219 114.411 115.700 -0.116 0.000 2.550 1397 S HA 0.272 4.742 4.470 -0.000 0.000 0.270 1397 S C -0.377 174.312 174.600 0.148 0.000 1.145 1397 S CA -0.750 57.489 58.200 0.065 0.000 0.852 1397 S CB 0.640 63.921 63.200 0.133 0.000 1.119 1397 S HN 0.250 nan 8.310 nan 0.000 0.465 1398 W N 2.315 123.667 121.300 0.087 0.000 2.358 1398 W HA -0.080 4.579 4.660 -0.001 0.000 0.303 1398 W C 1.399 177.973 176.519 0.091 0.000 1.208 1398 W CA 2.184 59.576 57.345 0.078 0.000 1.274 1398 W CB -0.253 29.261 29.460 0.089 0.000 1.138 1398 W HN 0.751 nan 8.180 nan 0.000 0.515 1399 F N 1.718 121.731 119.950 0.105 0.000 2.126 1399 F HA -0.265 4.261 4.527 -0.002 0.000 0.299 1399 F C 2.402 178.051 175.800 -0.253 0.000 1.096 1399 F CA 2.648 60.566 58.000 -0.137 0.000 1.255 1399 F CB -0.786 38.288 39.000 0.123 0.000 0.997 1399 F HN 0.023 nan 8.300 nan 0.000 0.479 1400 Q N -0.462 119.283 119.800 -0.092 0.000 2.083 1400 Q HA -0.144 4.195 4.340 -0.000 0.000 0.198 1400 Q C 2.315 178.137 176.000 -0.296 0.000 0.969 1400 Q CA 1.405 57.093 55.803 -0.192 0.000 0.838 1400 Q CB -0.294 28.396 28.738 -0.080 0.000 0.900 1400 Q HN 0.366 nan 8.270 nan 0.000 0.436 1401 R N 0.290 120.623 120.500 -0.279 0.000 2.159 1401 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 1401 R C 2.253 178.315 176.300 -0.396 0.000 1.131 1401 R CA 1.024 56.949 56.100 -0.292 0.000 0.982 1401 R CB 0.025 30.197 30.300 -0.214 0.000 0.868 1401 R HN 0.290 nan 8.270 nan 0.000 0.453 1402 Q N -0.008 119.431 119.800 -0.601 0.000 2.083 1402 Q HA -0.072 4.268 4.340 -0.000 0.000 0.198 1402 Q C 2.012 177.724 176.000 -0.480 0.000 0.969 1402 Q CA 1.023 56.446 55.803 -0.633 0.000 0.838 1402 Q CB -0.069 28.086 28.738 -0.972 0.000 0.900 1402 Q HN 0.214 nan 8.270 nan 0.000 0.436 1403 L N 0.303 121.213 121.223 -0.521 0.000 2.240 1403 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 1403 L C 1.918 178.639 176.870 -0.249 0.000 1.106 1403 L CA 1.444 56.048 54.840 -0.393 0.000 0.793 1403 L CB -0.337 41.453 42.059 -0.450 0.000 0.927 1403 L HN 0.107 nan 8.230 nan 0.000 0.446 1404 R N -0.952 119.390 120.500 -0.262 0.000 2.334 1404 R HA 0.337 4.677 4.340 -0.000 0.000 0.216 1404 R C 1.052 177.234 176.300 -0.196 0.000 0.905 1404 R CA 0.474 56.437 56.100 -0.229 0.000 1.064 1404 R CB 0.079 30.178 30.300 -0.335 0.000 1.046 1404 R HN 0.334 nan 8.270 nan 0.000 0.508 1405 G N 0.705 109.385 108.800 -0.200 0.000 2.641 1405 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.254 1405 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.254 1405 G C 0.542 175.358 174.900 -0.139 0.000 1.315 1405 G CA 0.162 45.166 45.100 -0.160 0.000 0.907 1405 G HN 0.333 nan 8.290 nan 0.000 0.572 1406 S N -2.326 113.315 115.700 -0.098 0.000 2.564 1406 S HA 0.463 4.933 4.470 -0.000 0.000 0.231 1406 S C 1.330 175.910 174.600 -0.033 0.000 1.067 1406 S CA 1.639 59.798 58.200 -0.069 0.000 0.908 1406 S CB -0.487 62.678 63.200 -0.058 0.000 0.809 1406 S HN 2.412 nan 8.310 nan 0.000 0.491 1407 H N 0.838 119.892 119.070 -0.027 0.000 3.034 1407 H HA 0.337 4.893 4.556 -0.000 0.000 0.324 1407 H C -0.196 175.154 175.328 0.037 0.000 1.015 1407 H CA 0.156 56.212 56.048 0.013 0.000 1.429 1407 H CB -0.693 29.069 29.762 -0.001 0.000 1.429 1407 H HN 0.526 nan 8.280 nan 0.000 0.585 1408 Y N 3.239 123.514 120.300 -0.040 0.000 2.802 1408 Y HA 0.227 4.777 4.550 -0.001 0.000 0.333 1408 Y C 0.369 176.259 175.900 -0.015 0.000 1.244 1408 Y CA 0.715 58.797 58.100 -0.030 0.000 1.558 1408 Y CB 0.559 39.006 38.460 -0.021 0.000 1.233 1408 Y HN 0.829 nan 8.280 nan 0.000 0.547 1409 Q N 9.226 128.722 119.800 -0.506 0.000 2.483 1409 Q HA 0.238 4.578 4.340 -0.000 0.000 0.245 1409 Q C -2.391 173.397 176.000 -0.353 0.000 0.902 1409 Q CA -1.665 53.886 55.803 -0.421 0.000 0.767 1409 Q CB 2.015 30.665 28.738 -0.147 0.000 1.341 1409 Q HN 0.573 nan 8.270 nan 0.000 0.453 1410 P HA 0.153 nan 4.420 nan 0.000 0.245 1410 P C 0.459 177.758 177.300 -0.001 0.000 1.203 1410 P CA 0.142 63.137 63.100 -0.175 0.000 0.792 1410 P CB 0.744 32.311 31.700 -0.223 0.000 0.997 1411 I N 1.337 121.865 120.570 -0.069 0.000 2.331 1411 I HA 0.193 4.363 4.170 -0.000 0.000 0.292 1411 I C 0.072 175.975 176.117 -0.358 0.000 0.998 1411 I CA -1.436 59.766 61.300 -0.163 0.000 1.267 1411 I CB 1.162 39.092 38.000 -0.117 0.000 1.386 1411 I HN -0.140 nan 8.210 nan 0.000 0.476 1412 L N 8.435 129.319 121.223 -0.565 0.000 2.277 1412 L HA 0.454 4.794 4.340 -0.000 0.000 0.284 1412 L C -0.048 176.645 176.870 -0.296 0.000 1.028 1412 L CA -0.170 54.229 54.840 -0.735 0.000 0.835 1412 L CB 0.388 41.834 42.059 -1.021 0.000 1.215 1412 L HN 0.491 nan 8.230 nan 0.000 0.425 1413 R N 3.758 124.146 120.500 -0.186 0.000 2.536 1413 R HA 0.397 4.737 4.340 -0.000 0.000 0.279 1413 R C -0.301 175.988 176.300 -0.020 0.000 1.001 1413 R CA -0.622 55.426 56.100 -0.086 0.000 1.027 1413 R CB 0.676 30.931 30.300 -0.074 0.000 1.096 1413 R HN 0.657 nan 8.270 nan 0.000 0.502 1414 D N 0.835 121.240 120.400 0.008 0.000 2.870 1414 D HA -0.181 4.459 4.640 -0.000 0.000 0.228 1414 D C -0.610 175.746 176.300 0.094 0.000 1.147 1414 D CA 1.093 55.117 54.000 0.040 0.000 0.757 1414 D CB -0.936 39.916 40.800 0.087 0.000 1.091 1414 D HN 0.516 nan 8.370 nan 0.000 0.429 1415 H N 0.628 119.677 119.070 -0.036 0.000 2.820 1415 H HA 0.482 5.038 4.556 -0.001 0.000 0.248 1415 H C 0.140 175.461 175.328 -0.011 0.000 1.714 1415 H CA -0.278 55.762 56.048 -0.013 0.000 1.334 1415 H CB -0.610 29.135 29.762 -0.028 0.000 1.693 1415 H HN 0.352 nan 8.280 nan 0.000 0.548 1416 I N 0.818 121.422 120.570 0.058 0.000 2.644 1416 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 1416 I C -0.776 175.361 176.117 0.034 0.000 1.180 1416 I CA -1.080 60.211 61.300 -0.015 0.000 1.040 1416 I CB 1.522 39.510 38.000 -0.021 0.000 1.255 1416 I HN 0.356 nan 8.210 nan 0.000 0.422 1417 C N 2.325 121.641 119.300 0.027 0.000 2.719 1417 C HA 0.672 5.132 4.460 -0.000 0.000 0.327 1417 C C 0.125 175.155 174.990 0.066 0.000 1.238 1417 C CA -1.045 58.028 59.018 0.092 0.000 1.727 1417 C CB 1.470 29.248 27.740 0.064 0.000 2.256 1417 C HN 0.916 nan 8.230 nan 0.000 0.489 1418 K N 0.710 121.158 120.400 0.081 0.000 2.414 1418 K HA 0.240 4.560 4.320 -0.000 0.000 0.272 1418 K C -0.497 176.114 176.600 0.018 0.000 0.993 1418 K CA 0.316 56.630 56.287 0.044 0.000 0.964 1418 K CB 0.349 32.862 32.500 0.022 0.000 0.925 1418 K HN 0.768 nan 8.250 nan 0.000 0.487 1419 D N 2.987 123.393 120.400 0.011 0.000 2.422 1419 D HA 0.043 4.682 4.640 -0.000 0.000 0.227 1419 D C -0.377 175.926 176.300 0.005 0.000 1.190 1419 D CA -0.258 53.745 54.000 0.005 0.000 0.905 1419 D CB 0.389 41.190 40.800 0.001 0.000 1.034 1419 D HN 0.196 nan 8.370 nan 0.000 0.507 1420 M N 1.921 121.526 119.600 0.009 0.000 2.250 1420 M HA 0.117 4.597 4.480 -0.000 0.000 0.344 1420 M C 0.817 177.128 176.300 0.019 0.000 1.150 1420 M CA -0.429 54.878 55.300 0.012 0.000 1.147 1420 M CB 1.155 33.766 32.600 0.019 0.000 1.498 1420 M HN 0.350 nan 8.290 nan 0.000 0.461 1421 S N 3.053 118.764 115.700 0.019 0.000 2.553 1421 S HA -0.021 4.449 4.470 -0.000 0.000 0.293 1421 S C -1.553 173.063 174.600 0.028 0.000 1.296 1421 S CA -0.611 57.600 58.200 0.020 0.000 1.046 1421 S CB 0.274 63.487 63.200 0.022 0.000 0.810 1421 S HN 0.442 nan 8.310 nan 0.000 0.505 1422 P HA -0.110 nan 4.420 nan 0.000 0.216 1422 P C 1.561 178.878 177.300 0.028 0.000 1.150 1422 P CA 0.623 63.735 63.100 0.020 0.000 0.843 1422 P CB 0.013 31.718 31.700 0.008 0.000 0.787 1423 L N -0.424 120.814 121.223 0.026 0.000 1.994 1423 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 1423 L C 2.137 179.044 176.870 0.061 0.000 1.071 1423 L CA 1.947 56.804 54.840 0.029 0.000 0.745 1423 L CB -1.276 40.796 42.059 0.022 0.000 0.892 1423 L HN -0.194 nan 8.230 nan 0.000 0.431 1424 V N 0.374 120.341 119.914 0.088 0.000 2.490 1424 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 1424 V C 2.810 178.997 176.094 0.155 0.000 1.061 1424 V CA 1.498 63.896 62.300 0.164 0.000 1.064 1424 V CB -1.505 30.405 31.823 0.145 0.000 0.670 1424 V HN 0.627 nan 8.190 nan 0.000 0.461 1425 A N 0.049 122.925 122.820 0.093 0.000 1.898 1425 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 1425 A C 2.453 180.082 177.584 0.074 0.000 1.181 1425 A CA 1.848 53.932 52.037 0.078 0.000 0.620 1425 A CB -0.710 18.321 19.000 0.052 0.000 0.819 1425 A HN 0.545 nan 8.150 nan 0.000 0.442 1426 A N 0.004 122.869 122.820 0.076 0.000 1.883 1426 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 1426 A C 2.232 179.913 177.584 0.163 0.000 1.186 1426 A CA 1.666 53.766 52.037 0.104 0.000 0.624 1426 A CB -0.526 18.534 19.000 0.100 0.000 0.822 1426 A HN 0.548 nan 8.150 nan 0.000 0.444 1427 R N -0.954 119.618 120.500 0.120 0.000 2.097 1427 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 1427 R C 2.329 178.707 176.300 0.131 0.000 1.135 1427 R CA 2.046 58.198 56.100 0.087 0.000 0.934 1427 R CB -0.494 29.776 30.300 -0.049 0.000 0.846 1427 R HN 0.566 nan 8.270 nan 0.000 0.431 1428 M N -0.304 119.400 119.600 0.174 0.000 2.260 1428 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 1428 M C 2.347 178.604 176.300 -0.072 0.000 1.066 1428 M CA 1.490 56.873 55.300 0.138 0.000 1.082 1428 M CB -0.337 32.351 32.600 0.147 0.000 1.388 1428 M HN 0.132 nan 8.290 nan 0.000 0.419 1429 R N -0.473 119.902 120.500 -0.208 0.000 2.148 1429 R HA -0.102 4.238 4.340 -0.000 0.000 0.223 1429 R C 1.357 177.262 176.300 -0.658 0.000 1.088 1429 R CA 0.988 56.666 56.100 -0.703 0.000 0.985 1429 R CB 0.062 30.059 30.300 -0.504 0.000 0.880 1429 R HN 0.470 nan 8.270 nan 0.000 0.451 1430 H N -0.509 118.450 119.070 -0.184 0.000 2.520 1430 H HA 0.147 4.706 4.556 0.006 0.000 0.284 1430 H C -0.182 175.133 175.328 -0.022 0.000 1.037 1430 H CA -0.138 55.859 56.048 -0.084 0.000 1.168 1430 H CB 0.561 30.301 29.762 -0.036 0.000 1.497 1430 H HN 0.025 nan 8.280 nan 0.000 0.547 1431 I N 3.064 123.665 120.570 0.051 0.000 2.371 1431 I HA 0.180 4.350 4.170 -0.000 0.000 0.290 1431 I C -1.932 174.193 176.117 0.014 0.000 1.028 1431 I CA -2.319 59.023 61.300 0.070 0.000 1.345 1431 I CB 0.800 38.859 38.000 0.100 0.000 1.407 1431 I HN -0.171 nan 8.210 nan 0.000 0.501 1432 P HA 0.096 nan 4.420 nan 0.000 0.272 1432 P C 0.878 178.055 177.300 -0.204 0.000 1.243 1432 P CA -0.075 62.962 63.100 -0.104 0.000 0.803 1432 P CB 0.837 32.547 31.700 0.017 0.000 0.974 1433 L N -1.499 119.416 121.223 -0.513 0.000 2.463 1433 L HA 0.168 4.508 4.340 -0.000 0.000 0.219 1433 L C 0.533 177.220 176.870 -0.306 0.000 1.088 1433 L CA -0.003 54.614 54.840 -0.371 0.000 0.849 1433 L CB -0.326 41.535 42.059 -0.330 0.000 1.012 1433 L HN 0.242 nan 8.230 nan 0.000 0.468 1434 F N 1.019 120.984 119.950 0.026 0.000 2.553 1434 F HA 0.156 4.686 4.527 0.005 0.000 0.356 1434 F C -1.776 174.012 175.800 -0.020 0.000 1.142 1434 F CA -2.842 55.165 58.000 0.012 0.000 1.322 1434 F CB -1.062 37.941 39.000 0.006 0.000 1.126 1434 F HN -0.253 nan 8.300 nan 0.000 0.599 1435 P HA 0.185 nan 4.420 nan 0.000 0.263 1435 P C 0.697 178.014 177.300 0.029 0.000 1.195 1435 P CA 1.136 64.256 63.100 0.033 0.000 0.762 1435 P CB 0.439 32.150 31.700 0.018 0.000 0.799 1436 G N 1.646 110.435 108.800 -0.017 0.000 2.192 1436 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.193 1436 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.193 1436 G C 0.280 175.172 174.900 -0.013 0.000 0.999 1436 G CA -0.357 44.729 45.100 -0.024 0.000 0.659 1436 G HN 0.530 nan 8.290 nan 0.000 0.503 1437 S N 1.989 117.696 115.700 0.011 0.000 2.533 1437 S HA 0.514 4.984 4.470 -0.000 0.000 0.282 1437 S C 0.261 174.874 174.600 0.023 0.000 1.304 1437 S CA 0.825 59.038 58.200 0.023 0.000 1.063 1437 S CB 1.204 64.421 63.200 0.027 0.000 0.881 1437 S HN 0.889 nan 8.310 nan 0.000 0.493 1438 D N 0.836 121.251 120.400 0.026 0.000 2.946 1438 D HA 0.107 4.747 4.640 -0.000 0.000 0.337 1438 D C 1.019 177.382 176.300 0.106 0.000 1.332 1438 D CA -0.836 53.231 54.000 0.113 0.000 0.935 1438 D CB -0.541 40.351 40.800 0.155 0.000 1.440 1438 D HN 0.569 nan 8.370 nan 0.000 0.540 1439 W N 0.685 122.050 121.300 0.107 0.000 2.341 1439 W HA -0.126 4.533 4.660 -0.002 0.000 0.283 1439 W C 0.996 177.527 176.519 0.021 0.000 1.215 1439 W CA 0.885 58.256 57.345 0.043 0.000 1.211 1439 W CB -0.820 28.664 29.460 0.039 0.000 1.131 1439 W HN 0.265 nan 8.180 nan 0.000 0.552 1440 R N 0.597 120.514 120.500 -0.972 0.000 2.285 1440 R HA -0.086 4.254 4.340 -0.000 0.000 0.213 1440 R C 0.930 177.006 176.300 -0.373 0.000 1.068 1440 R CA 1.320 56.785 56.100 -1.059 0.000 1.004 1440 R CB -0.291 29.349 30.300 -1.099 0.000 0.873 1440 R HN 0.050 nan 8.270 nan 0.000 0.467 1441 D N 0.197 120.508 120.400 -0.148 0.000 2.328 1441 D HA 0.077 4.717 4.640 -0.000 0.000 0.221 1441 D C 0.114 176.524 176.300 0.184 0.000 1.072 1441 D CA 0.222 54.252 54.000 0.050 0.000 0.850 1441 D CB 0.283 41.110 40.800 0.045 0.000 0.922 1441 D HN 0.117 nan 8.370 nan 0.000 0.516 1442 L N 1.682 122.991 121.223 0.142 0.000 2.397 1442 L HA 0.235 4.575 4.340 -0.000 0.000 0.271 1442 L C -2.108 174.856 176.870 0.157 0.000 1.148 1442 L CA -1.630 53.303 54.840 0.155 0.000 0.825 1442 L CB 0.777 42.892 42.059 0.092 0.000 1.117 1442 L HN -0.271 nan 8.230 nan 0.000 0.456 1443 P HA 0.070 nan 4.420 nan 0.000 0.276 1443 P C -0.920 176.289 177.300 -0.152 0.000 1.230 1443 P CA -0.381 62.600 63.100 -0.198 0.000 0.776 1443 P CB 0.477 32.060 31.700 -0.195 0.000 0.888 1444 N N 3.626 122.235 118.700 -0.153 0.000 3.188 1444 N HA 0.168 4.908 4.740 -0.000 0.000 0.279 1444 N C -0.375 175.088 175.510 -0.079 0.000 1.213 1444 N CA -0.256 52.763 53.050 -0.051 0.000 1.138 1444 N CB -0.902 37.613 38.487 0.047 0.000 1.417 1444 N HN 0.366 nan 8.380 nan 0.000 0.526 1445 I N -2.358 118.144 120.570 -0.114 0.000 3.170 1445 I HA 0.531 4.701 4.170 -0.000 0.000 0.312 1445 I C -0.428 175.638 176.117 -0.085 0.000 1.085 1445 I CA -1.156 60.082 61.300 -0.103 0.000 0.999 1445 I CB 1.876 39.791 38.000 -0.141 0.000 1.233 1445 I HN 0.016 nan 8.210 nan 0.000 0.467 1446 Q N 2.101 121.867 119.800 -0.057 0.000 2.271 1446 Q HA 0.606 4.945 4.340 -0.000 0.000 0.258 1446 Q C -1.859 174.104 176.000 -0.061 0.000 0.936 1446 Q CA -0.661 55.117 55.803 -0.043 0.000 0.909 1446 Q CB 1.931 30.671 28.738 0.003 0.000 1.253 1446 Q HN 0.660 nan 8.270 nan 0.000 0.440 1447 V N 2.674 122.540 119.914 -0.079 0.000 2.525 1447 V HA 0.534 4.654 4.120 -0.000 0.000 0.299 1447 V C 0.026 176.093 176.094 -0.046 0.000 1.034 1447 V CA -0.750 61.520 62.300 -0.050 0.000 0.863 1447 V CB 1.289 33.084 31.823 -0.047 0.000 0.999 1447 V HN 0.886 nan 8.190 nan 0.000 0.423 1448 R N 5.248 125.737 120.500 -0.018 0.000 2.288 1448 R HA 0.607 4.947 4.340 -0.000 0.000 0.330 1448 R C -0.288 176.010 176.300 -0.003 0.000 1.069 1448 R CA -0.084 56.006 56.100 -0.016 0.000 0.941 1448 R CB -0.454 29.845 30.300 -0.003 0.000 0.998 1448 R HN 0.746 nan 8.270 nan 0.000 0.452 1449 L N 1.371 122.586 121.223 -0.014 0.000 2.475 1449 L HA 0.469 4.809 4.340 -0.000 0.000 0.253 1449 L C 1.737 178.608 176.870 0.003 0.000 1.198 1449 L CA -0.502 54.338 54.840 -0.000 0.000 0.814 1449 L CB 1.046 43.099 42.059 -0.009 0.000 1.134 1449 L HN 0.738 nan 8.230 nan 0.000 0.478 1450 G N -0.602 108.203 108.800 0.008 0.000 3.397 1450 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 1450 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 1450 G C 0.248 175.149 174.900 0.002 0.000 1.284 1450 G CA 0.096 45.200 45.100 0.006 0.000 1.570 1450 G HN 0.757 nan 8.290 nan 0.000 0.587 1451 D N -1.176 119.223 120.400 -0.003 0.000 2.399 1451 D HA 0.173 4.813 4.640 -0.000 0.000 0.269 1451 D C 1.951 178.246 176.300 -0.008 0.000 1.105 1451 D CA 1.218 55.215 54.000 -0.006 0.000 0.844 1451 D CB 0.282 41.077 40.800 -0.008 0.000 1.372 1451 D HN 0.321 nan 8.370 nan 0.000 0.517 1452 G N 0.416 109.211 108.800 -0.009 0.000 2.358 1452 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.224 1452 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.224 1452 G C 0.901 175.793 174.900 -0.014 0.000 1.073 1452 G CA 0.448 45.543 45.100 -0.008 0.000 0.635 1452 G HN 0.788 nan 8.290 nan 0.000 0.509 1453 V N 1.871 121.773 119.914 -0.020 0.000 2.999 1453 V HA 0.609 4.729 4.120 -0.000 0.000 0.307 1453 V C 0.772 176.826 176.094 -0.068 0.000 1.084 1453 V CA 0.524 62.804 62.300 -0.034 0.000 1.155 1453 V CB 0.550 32.354 31.823 -0.032 0.000 0.975 1453 V HN 0.542 nan 8.190 nan 0.000 0.490 1454 I N 3.489 123.985 120.570 -0.123 0.000 2.406 1454 I HA 0.575 4.745 4.170 -0.000 0.000 0.290 1454 I C 0.463 176.287 176.117 -0.487 0.000 0.999 1454 I CA -0.692 60.476 61.300 -0.220 0.000 1.124 1454 I CB 1.601 39.507 38.000 -0.157 0.000 1.289 1454 I HN 0.792 nan 8.210 nan 0.000 0.441 1455 A N 6.149 128.765 122.820 -0.340 0.000 2.309 1455 A HA 0.465 4.785 4.320 -0.000 0.000 0.290 1455 A C -0.541 176.846 177.584 -0.328 0.000 1.206 1455 A CA -0.120 51.720 52.037 -0.329 0.000 0.850 1455 A CB -0.176 18.738 19.000 -0.143 0.000 1.118 1455 A HN 0.788 nan 8.150 nan 0.000 0.523 1456 H N 0.978 120.042 119.070 -0.010 0.000 2.497 1456 H HA 0.396 4.952 4.556 0.001 0.000 0.348 1456 H C 0.021 175.336 175.328 -0.022 0.000 1.335 1456 H CA -0.573 55.466 56.048 -0.015 0.000 1.395 1456 H CB 0.563 30.318 29.762 -0.012 0.000 1.658 1456 H HN 0.597 nan 8.280 nan 0.000 0.613 1457 K N 0.760 121.236 120.400 0.127 0.000 2.295 1457 K HA 0.133 4.453 4.320 -0.000 0.000 0.270 1457 K C -0.591 176.040 176.600 0.052 0.000 1.011 1457 K CA -0.563 55.763 56.287 0.064 0.000 0.953 1457 K CB 0.770 33.301 32.500 0.052 0.000 0.956 1457 K HN 0.174 nan 8.250 nan 0.000 0.477 1458 L N 2.280 123.519 121.223 0.027 0.000 2.395 1458 L HA 0.098 4.438 4.340 -0.000 0.000 0.269 1458 L C -0.541 176.253 176.870 -0.128 0.000 1.133 1458 L CA 0.510 55.319 54.840 -0.052 0.000 0.812 1458 L CB 0.957 42.964 42.059 -0.085 0.000 1.125 1458 L HN 0.514 nan 8.230 nan 0.000 0.452 1459 Q N 3.309 122.998 119.800 -0.185 0.000 2.331 1459 Q HA 0.335 4.675 4.340 -0.000 0.000 0.267 1459 Q C -1.725 174.139 176.000 -0.227 0.000 1.006 1459 Q CA -0.485 55.239 55.803 -0.132 0.000 0.818 1459 Q CB 1.782 30.491 28.738 -0.047 0.000 1.276 1459 Q HN 0.519 nan 8.270 nan 0.000 0.450 1460 Y N 1.236 121.584 120.300 0.080 0.000 2.518 1460 Y HA 0.166 4.715 4.550 -0.001 0.000 0.344 1460 Y C 0.990 176.900 175.900 0.018 0.000 0.982 1460 Y CA -0.364 57.793 58.100 0.095 0.000 1.234 1460 Y CB 0.821 39.342 38.460 0.101 0.000 1.114 1460 Y HN 0.581 nan 8.280 nan 0.000 0.515 1461 T N -1.065 113.499 114.554 0.016 0.000 3.132 1461 T HA 0.396 4.746 4.350 -0.000 0.000 0.274 1461 T C -0.340 173.968 174.700 -0.654 0.000 1.011 1461 T CA -0.118 61.788 62.100 -0.324 0.000 0.899 1461 T CB -0.364 68.193 68.868 -0.518 0.000 1.089 1461 T HN 0.159 nan 8.240 nan 0.000 0.543 1462 F N 0.632 120.679 119.950 0.162 0.000 2.599 1462 F HA 0.460 4.987 4.527 -0.001 0.000 0.311 1462 F C -0.018 175.881 175.800 0.166 0.000 1.076 1462 F CA -1.506 56.584 58.000 0.150 0.000 0.937 1462 F CB 1.394 40.472 39.000 0.130 0.000 1.282 1462 F HN 0.067 nan 8.300 nan 0.000 0.460 1463 H N 1.643 120.846 119.070 0.221 0.000 2.527 1463 H HA 0.134 4.690 4.556 -0.000 0.000 0.321 1463 H C -1.232 174.114 175.328 0.030 0.000 1.087 1463 H CA -0.366 55.709 56.048 0.044 0.000 1.337 1463 H CB 1.290 31.038 29.762 -0.024 0.000 1.440 1463 H HN 0.533 nan 8.280 nan 0.000 0.490 1464 D N 5.245 125.315 120.400 -0.549 0.000 2.456 1464 D HA 0.041 4.681 4.640 -0.000 0.000 0.219 1464 D C 1.239 177.210 176.300 -0.549 0.000 1.126 1464 D CA -0.296 53.482 54.000 -0.370 0.000 0.890 1464 D CB 1.028 41.722 40.800 -0.177 0.000 1.025 1464 D HN 0.392 nan 8.370 nan 0.000 0.511 1465 V N 4.172 123.891 119.914 -0.325 0.000 2.380 1465 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 1465 V C 2.812 178.826 176.094 -0.134 0.000 1.063 1465 V CA 2.705 64.888 62.300 -0.195 0.000 1.055 1465 V CB -0.896 30.900 31.823 -0.046 0.000 0.657 1465 V HN 0.659 nan 8.190 nan 0.000 0.455 1466 K N -0.060 120.284 120.400 -0.093 0.000 2.116 1466 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 1466 K C 1.698 178.287 176.600 -0.017 0.000 1.052 1466 K CA 1.636 57.905 56.287 -0.030 0.000 0.952 1466 K CB -0.598 31.908 32.500 0.010 0.000 0.729 1466 K HN 0.605 nan 8.250 nan 0.000 0.446 1467 N N -1.180 117.486 118.700 -0.057 0.000 2.282 1467 N HA 0.237 4.976 4.740 -0.000 0.000 0.185 1467 N C 1.151 176.564 175.510 -0.160 0.000 1.099 1467 N CA 0.758 53.796 53.050 -0.019 0.000 0.878 1467 N CB 1.026 39.556 38.487 0.073 0.000 0.993 1467 N HN 0.671 nan 8.380 nan 0.000 0.481 1468 G N 0.134 108.771 108.800 -0.272 0.000 2.527 1468 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.268 1468 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.268 1468 G C -0.751 173.939 174.900 -0.350 0.000 1.175 1468 G CA -0.011 44.938 45.100 -0.252 0.000 0.962 1468 G HN 0.209 nan 8.290 nan 0.000 0.560 1469 Y N 0.124 120.429 120.300 0.008 0.000 2.621 1469 Y HA 0.726 5.275 4.550 -0.000 0.000 0.334 1469 Y C 1.096 176.916 175.900 -0.133 0.000 1.074 1469 Y CA 0.089 58.181 58.100 -0.012 0.000 1.149 1469 Y CB 1.701 40.182 38.460 0.035 0.000 1.302 1469 Y HN 0.827 nan 8.280 nan 0.000 0.501 1470 S N -0.260 115.476 115.700 0.059 0.000 2.612 1470 S HA -0.004 4.466 4.470 -0.000 0.000 0.253 1470 S C 1.079 175.686 174.600 0.012 0.000 1.346 1470 S CA 0.113 58.291 58.200 -0.036 0.000 0.976 1470 S CB 0.184 63.366 63.200 -0.029 0.000 0.949 1470 S HN 0.700 nan 8.310 nan 0.000 0.584 1471 S N 0.274 115.974 115.700 0.000 0.000 2.555 1471 S HA -0.001 4.469 4.470 -0.000 0.000 0.230 1471 S C 1.302 175.902 174.600 0.000 0.000 0.978 1471 S CA 0.952 59.158 58.200 0.010 0.000 0.934 1471 S CB -0.271 62.938 63.200 0.015 0.000 0.766 1471 S HN 0.893 nan 8.310 nan 0.000 0.533 1472 T N -2.508 112.045 114.554 -0.003 0.000 3.145 1472 T HA 0.507 4.856 4.350 -0.000 0.000 0.281 1472 T C 1.039 175.722 174.700 -0.028 0.000 1.003 1472 T CA 0.315 62.406 62.100 -0.016 0.000 0.901 1472 T CB 0.414 69.276 68.868 -0.010 0.000 1.112 1472 T HN 0.422 nan 8.240 nan 0.000 0.535 1473 G N 1.103 109.893 108.800 -0.017 0.000 2.182 1473 G HA2 0.075 4.035 3.960 -0.000 0.000 0.248 1473 G HA3 0.075 4.035 3.960 -0.000 0.000 0.248 1473 G C 0.195 175.140 174.900 0.074 0.000 1.042 1473 G CA -0.209 44.849 45.100 -0.070 0.000 0.775 1473 G HN 1.216 nan 8.290 nan 0.000 0.501 1474 A N -0.543 122.351 122.820 0.123 0.000 2.304 1474 A HA 0.851 5.171 4.320 -0.000 0.000 0.301 1474 A C 0.459 178.146 177.584 0.173 0.000 1.132 1474 A CA -0.552 51.553 52.037 0.113 0.000 0.819 1474 A CB 0.768 19.774 19.000 0.011 0.000 1.094 1474 A HN 0.812 nan 8.150 nan 0.000 0.492 1475 L N 0.898 122.219 121.223 0.164 0.000 2.467 1475 L HA 0.322 4.662 4.340 -0.000 0.000 0.270 1475 L C 1.486 178.366 176.870 0.015 0.000 1.205 1475 L CA 0.972 55.907 54.840 0.158 0.000 0.828 1475 L CB 0.294 42.482 42.059 0.214 0.000 1.101 1475 L HN 0.847 nan 8.230 nan 0.000 0.479 1476 R N 0.335 120.848 120.500 0.022 0.000 2.549 1476 R HA 0.297 4.637 4.340 -0.000 0.000 0.361 1476 R C 0.058 176.525 176.300 0.279 0.000 0.969 1476 R CA -0.145 55.951 56.100 -0.006 0.000 1.158 1476 R CB 0.959 31.152 30.300 -0.179 0.000 1.456 1476 R HN 0.767 nan 8.270 nan 0.000 0.540 1477 G N 0.184 109.175 108.800 0.319 0.000 2.416 1477 G HA2 0.389 4.349 3.960 -0.000 0.000 0.329 1477 G HA3 0.389 4.349 3.960 -0.000 0.000 0.329 1477 G C 0.519 175.678 174.900 0.433 0.000 1.173 1477 G CA -0.460 44.831 45.100 0.318 0.000 0.929 1477 G HN 0.028 nan 8.290 nan 0.000 0.475 1478 V N -1.678 118.430 119.914 0.323 0.000 3.528 1478 V HA 0.414 4.534 4.120 -0.000 0.000 0.294 1478 V C 0.529 176.925 176.094 0.505 0.000 1.404 1478 V CA -0.455 62.057 62.300 0.354 0.000 1.065 1478 V CB -0.654 31.169 31.823 -0.000 0.000 0.904 1478 V HN 0.700 nan 8.190 nan 0.000 0.435 1479 C N -0.876 118.559 119.300 0.224 0.000 3.171 1479 C HA 0.772 5.232 4.460 -0.000 0.000 0.308 1479 C C 2.215 176.699 174.990 -0.843 0.000 1.334 1479 C CA 0.528 59.428 59.018 -0.195 0.000 1.473 1479 C CB 1.498 29.343 27.740 0.175 0.000 1.866 1479 C HN 0.642 nan 8.230 nan 0.000 0.465 1480 S N 0.351 115.422 115.700 -1.048 0.000 2.440 1480 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 1480 S C 1.625 176.065 174.600 -0.267 0.000 1.010 1480 S CA 2.179 59.943 58.200 -0.726 0.000 0.972 1480 S CB -0.693 62.276 63.200 -0.385 0.000 0.774 1480 S HN 1.411 nan 8.310 nan 0.000 0.501 1481 C N -0.900 118.308 119.300 -0.154 0.000 2.500 1481 C HA 0.654 5.114 4.460 -0.000 0.000 0.273 1481 C C 2.482 177.446 174.990 -0.044 0.000 1.428 1481 C CA -0.008 58.978 59.018 -0.053 0.000 1.766 1481 C CB -1.301 26.439 27.740 -0.000 0.000 1.817 1481 C HN 0.604 nan 8.230 nan 0.000 0.543 1482 A N 0.740 123.533 122.820 -0.045 0.000 2.123 1482 A HA 0.086 4.406 4.320 -0.000 0.000 0.214 1482 A C 2.002 179.584 177.584 -0.003 0.000 1.152 1482 A CA 0.790 52.824 52.037 -0.005 0.000 0.728 1482 A CB -0.434 18.597 19.000 0.051 0.000 0.814 1482 A HN 0.743 nan 8.150 nan 0.000 0.464 1483 E N -1.275 118.931 120.200 0.010 0.000 2.444 1483 E HA 0.283 4.633 4.350 -0.000 0.000 0.191 1483 E C 1.143 177.759 176.600 0.027 0.000 1.041 1483 E CA 0.221 56.651 56.400 0.050 0.000 0.883 1483 E CB 0.099 29.868 29.700 0.115 0.000 1.024 1483 E HN 0.657 nan 8.360 nan 0.000 0.470 1484 G N 1.916 110.717 108.800 0.001 0.000 2.253 1484 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.251 1484 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.251 1484 G C 0.494 175.394 174.900 -0.001 0.000 0.998 1484 G CA 0.475 45.575 45.100 0.001 0.000 0.621 1484 G HN 0.213 nan 8.290 nan 0.000 0.524 1485 K N 0.740 121.138 120.400 -0.004 0.000 2.140 1485 K HA 0.672 4.992 4.320 -0.000 0.000 0.237 1485 K C 0.914 177.504 176.600 -0.017 0.000 1.045 1485 K CA -0.041 56.243 56.287 -0.005 0.000 0.896 1485 K CB 0.425 32.926 32.500 0.001 0.000 1.122 1485 K HN 0.573 nan 8.250 nan 0.000 0.503 1486 A N 0.451 123.265 122.820 -0.009 0.000 2.388 1486 A HA 0.134 4.454 4.320 -0.000 0.000 0.257 1486 A C -0.157 177.421 177.584 -0.010 0.000 1.095 1486 A CA -0.541 51.495 52.037 -0.001 0.000 0.791 1486 A CB 0.207 19.212 19.000 0.009 0.000 1.029 1486 A HN 0.764 nan 8.150 nan 0.000 0.489 1487 C N 2.389 121.702 119.300 0.022 0.000 2.523 1487 C HA 0.062 4.522 4.460 -0.000 0.000 0.406 1487 C C 0.626 175.629 174.990 0.021 0.000 1.449 1487 C CA 0.435 59.484 59.018 0.051 0.000 1.588 1487 C CB -1.154 26.663 27.740 0.127 0.000 2.514 1487 C HN 0.808 nan 8.230 nan 0.000 0.606 1488 D N 4.796 125.191 120.400 -0.009 0.000 2.280 1488 D HA 0.270 4.910 4.640 -0.000 0.000 0.236 1488 D C -1.509 174.785 176.300 -0.010 0.000 1.082 1488 D CA -1.729 52.268 54.000 -0.005 0.000 0.834 1488 D CB 1.580 42.378 40.800 -0.003 0.000 1.100 1488 D HN 0.266 nan 8.370 nan 0.000 0.486 1489 P HA -0.042 nan 4.420 nan 0.000 0.221 1489 P C 0.811 178.051 177.300 -0.100 0.000 1.150 1489 P CA 0.573 63.649 63.100 -0.041 0.000 0.800 1489 P CB 0.501 32.195 31.700 -0.009 0.000 0.787 1490 E N -0.643 119.517 120.200 -0.067 0.000 2.409 1490 E HA -0.017 4.333 4.350 -0.000 0.000 0.198 1490 E C 1.673 178.185 176.600 -0.147 0.000 1.024 1490 E CA 0.666 57.016 56.400 -0.084 0.000 0.861 1490 E CB -0.680 29.002 29.700 -0.030 0.000 0.788 1490 E HN 0.222 nan 8.360 nan 0.000 0.521 1491 S N 0.503 116.122 115.700 -0.135 0.000 2.522 1491 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 1491 S C 1.105 175.404 174.600 -0.502 0.000 0.986 1491 S CA -0.047 58.091 58.200 -0.103 0.000 0.929 1491 S CB 0.043 63.298 63.200 0.093 0.000 0.769 1491 S HN 0.197 nan 8.310 nan 0.000 0.529 1492 R N 1.834 121.795 120.500 -0.897 0.000 2.643 1492 R HA 0.120 4.460 4.340 -0.000 0.000 0.270 1492 R C -0.417 174.900 176.300 -1.640 0.000 1.061 1492 R CA 0.424 55.399 56.100 -1.874 0.000 1.107 1492 R CB 0.312 29.776 30.300 -1.394 0.000 0.999 1492 R HN 0.226 nan 8.270 nan 0.000 0.460 1493 Q N 2.635 121.320 119.800 -1.858 0.000 2.353 1493 Q HA 0.367 4.707 4.340 -0.000 0.000 0.268 1493 Q C -1.329 174.154 176.000 -0.862 0.000 1.045 1493 Q CA -0.586 54.579 55.803 -1.062 0.000 0.811 1493 Q CB 2.061 30.493 28.738 -0.510 0.000 1.305 1493 Q HN 0.467 nan 8.270 nan 0.000 0.447 1494 F N 0.256 120.124 119.950 -0.137 0.000 2.541 1494 F HA 0.532 5.059 4.527 -0.001 0.000 0.331 1494 F C 1.026 176.842 175.800 0.026 0.000 1.057 1494 F CA -0.639 57.327 58.000 -0.055 0.000 0.975 1494 F CB 1.460 40.423 39.000 -0.062 0.000 1.246 1494 F HN 0.762 nan 8.300 nan 0.000 0.484 1495 S N 1.078 116.914 115.700 0.226 0.000 3.405 1495 S HA -0.108 4.362 4.470 -0.000 0.000 0.373 1495 S C 0.037 174.683 174.600 0.077 0.000 0.939 1495 S CA 1.007 59.274 58.200 0.111 0.000 1.295 1495 S CB -1.888 61.360 63.200 0.079 0.000 0.919 1495 S HN 0.891 nan 8.310 nan 0.000 0.535 1496 T N 0.454 115.048 114.554 0.067 0.000 2.863 1496 T HA 0.641 4.991 4.350 -0.000 0.000 0.285 1496 T C 1.068 175.770 174.700 0.003 0.000 1.009 1496 T CA -0.175 61.953 62.100 0.047 0.000 0.989 1496 T CB 1.036 69.945 68.868 0.069 0.000 1.004 1496 T HN 0.834 nan 8.240 nan 0.000 0.455 1497 L N 4.932 126.140 121.223 -0.025 0.000 2.012 1497 L HA 0.294 4.634 4.340 -0.000 0.000 0.210 1497 L C 0.940 177.777 176.870 -0.055 0.000 1.073 1497 L CA 1.718 56.521 54.840 -0.062 0.000 0.748 1497 L CB -0.281 41.715 42.059 -0.104 0.000 0.891 1497 L HN 0.698 nan 8.230 nan 0.000 0.431 1498 I N 1.260 121.833 120.570 0.005 0.000 2.379 1498 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 1498 I C -1.987 174.150 176.117 0.032 0.000 1.063 1498 I CA -1.866 59.471 61.300 0.062 0.000 1.351 1498 I CB 0.566 38.667 38.000 0.169 0.000 1.410 1498 I HN 0.018 nan 8.210 nan 0.000 0.505 1499 P HA -0.106 nan 4.420 nan 0.000 0.264 1499 P C 0.366 177.659 177.300 -0.011 0.000 1.229 1499 P CA 0.067 63.136 63.100 -0.052 0.000 0.780 1499 P CB 0.218 31.816 31.700 -0.169 0.000 0.808 1500 W N 5.785 127.015 121.300 -0.117 0.000 2.290 1500 W HA -0.371 4.288 4.660 -0.001 0.000 0.311 1500 W C 1.843 178.305 176.519 -0.094 0.000 1.238 1500 W CA 2.167 59.438 57.345 -0.123 0.000 1.255 1500 W CB -0.755 28.590 29.460 -0.192 0.000 1.145 1500 W HN 0.460 nan 8.180 nan 0.000 0.506 1501 C N -0.698 118.621 119.300 0.031 0.000 2.419 1501 C HA -0.125 4.335 4.460 -0.000 0.000 0.281 1501 C C 2.555 177.352 174.990 -0.322 0.000 1.336 1501 C CA 0.974 59.896 59.018 -0.160 0.000 1.770 1501 C CB -1.688 26.066 27.740 0.023 0.000 1.929 1501 C HN 0.457 nan 8.230 nan 0.000 0.509 1502 L N 1.379 122.341 121.223 -0.434 0.000 1.976 1502 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 1502 L C -0.017 176.740 176.870 -0.188 0.000 1.071 1502 L CA 1.847 56.318 54.840 -0.615 0.000 0.746 1502 L CB -1.839 39.421 42.059 -1.332 0.000 0.890 1502 L HN 0.158 nan 8.230 nan 0.000 0.432 1503 P HA -0.173 nan 4.420 nan 0.000 0.225 1503 P C 1.303 178.623 177.300 0.034 0.000 1.148 1503 P CA 1.319 64.523 63.100 0.173 0.000 0.779 1503 P CB -0.287 31.551 31.700 0.230 0.000 0.780 1504 H N 0.091 118.960 119.070 -0.334 0.000 2.457 1504 H HA -0.044 4.512 4.556 -0.000 0.000 0.294 1504 H C 0.813 176.058 175.328 -0.139 0.000 1.064 1504 H CA 1.885 57.656 56.048 -0.463 0.000 1.330 1504 H CB 0.332 29.437 29.762 -1.095 0.000 1.395 1504 H HN 0.157 nan 8.280 nan 0.000 0.541 1505 T N -4.191 110.327 114.554 -0.060 0.000 3.058 1505 T HA 0.206 4.556 4.350 -0.000 0.000 0.278 1505 T C 2.034 176.922 174.700 0.312 0.000 0.974 1505 T CA 0.333 62.493 62.100 0.101 0.000 0.893 1505 T CB 0.103 69.091 68.868 0.200 0.000 1.138 1505 T HN 0.252 nan 8.240 nan 0.000 0.529 1506 G N 2.660 111.670 108.800 0.350 0.000 2.503 1506 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.221 1506 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.221 1506 G C 1.527 176.521 174.900 0.157 0.000 1.131 1506 G CA 1.087 46.371 45.100 0.307 0.000 0.756 1506 G HN 0.484 nan 8.290 nan 0.000 0.572 1507 N N 0.537 119.339 118.700 0.171 0.000 2.120 1507 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 1507 N C 2.096 177.533 175.510 -0.121 0.000 1.024 1507 N CA 0.732 53.821 53.050 0.065 0.000 0.852 1507 N CB -0.275 38.272 38.487 0.100 0.000 1.003 1507 N HN 0.332 nan 8.380 nan 0.000 0.424 1508 R N -0.065 120.358 120.500 -0.128 0.000 2.320 1508 R HA 0.112 4.452 4.340 -0.000 0.000 0.211 1508 R C -0.025 175.869 176.300 -0.678 0.000 0.931 1508 R CA 0.323 56.224 56.100 -0.331 0.000 1.071 1508 R CB 0.106 30.220 30.300 -0.310 0.000 1.025 1508 R HN 0.443 nan 8.270 nan 0.000 0.495 1509 H N -0.688 118.111 119.070 -0.451 0.000 2.885 1509 H HA 0.084 4.640 4.556 0.000 0.000 0.237 1509 H C -0.268 174.605 175.328 -0.757 0.000 1.229 1509 H CA -0.386 55.218 56.048 -0.740 0.000 0.947 1509 H CB 0.399 29.309 29.762 -1.420 0.000 2.223 1509 H HN 0.102 nan 8.280 nan 0.000 0.628 1510 N N 1.647 120.069 118.700 -0.464 0.000 2.782 1510 N HA -0.267 4.473 4.740 -0.000 0.000 0.251 1510 N C -0.450 174.889 175.510 -0.285 0.000 1.101 1510 N CA 1.231 54.038 53.050 -0.404 0.000 0.764 1510 N CB -1.684 36.654 38.487 -0.248 0.000 1.122 1510 N HN 0.589 nan 8.380 nan 0.000 0.561 1511 H N -3.365 115.624 119.070 -0.135 0.000 2.899 1511 H HA -0.210 4.346 4.556 -0.000 0.000 0.282 1511 H C 0.004 175.548 175.328 0.360 0.000 1.198 1511 H CA 1.181 57.292 56.048 0.105 0.000 1.140 1511 H CB -2.242 27.540 29.762 0.034 0.000 1.317 1511 H HN 0.647 nan 8.280 nan 0.000 0.375 1512 W N -1.546 119.938 121.300 0.306 0.000 7.062 1512 W HA -0.106 4.554 4.660 -0.000 0.000 0.409 1512 W C 0.996 177.731 176.519 0.361 0.000 1.561 1512 W CA 0.530 58.017 57.345 0.236 0.000 1.149 1512 W CB -1.785 27.690 29.460 0.025 0.000 2.750 1512 W HN 0.685 nan 8.180 nan 0.000 1.626 1513 A N 0.723 123.764 122.820 0.368 0.000 2.567 1513 A HA 0.410 4.730 4.320 -0.000 0.000 0.240 1513 A C 1.567 179.303 177.584 0.253 0.000 1.053 1513 A CA 1.566 53.758 52.037 0.258 0.000 0.755 1513 A CB -0.129 18.946 19.000 0.124 0.000 0.978 1513 A HN 1.731 nan 8.150 nan 0.000 0.507 1514 G N 1.240 110.180 108.800 0.233 0.000 2.349 1514 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.213 1514 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.213 1514 G C 0.112 175.136 174.900 0.207 0.000 1.044 1514 G CA 0.008 45.209 45.100 0.168 0.000 0.633 1514 G HN 0.952 nan 8.290 nan 0.000 0.506 1515 L N 0.782 122.188 121.223 0.305 0.000 2.543 1515 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 1515 L C 1.419 178.525 176.870 0.393 0.000 1.236 1515 L CA 1.050 56.040 54.840 0.250 0.000 0.871 1515 L CB -0.678 41.474 42.059 0.154 0.000 1.121 1515 L HN 0.428 nan 8.230 nan 0.000 0.501 1516 Y N -0.283 120.082 120.300 0.109 0.000 3.875 1516 Y HA -0.249 4.300 4.550 -0.002 0.000 0.216 1516 Y C 1.279 177.236 175.900 0.095 0.000 1.148 1516 Y CA 0.685 58.849 58.100 0.107 0.000 1.629 1516 Y CB -1.666 36.888 38.460 0.156 0.000 1.506 1516 Y HN 0.743 nan 8.280 nan 0.000 0.629 1517 G N 0.481 109.368 108.800 0.145 0.000 2.448 1517 G HA2 0.617 4.577 3.960 -0.000 0.000 0.285 1517 G HA3 0.617 4.577 3.960 -0.000 0.000 0.285 1517 G C -0.224 174.670 174.900 -0.010 0.000 1.176 1517 G CA -0.930 44.214 45.100 0.074 0.000 0.852 1517 G HN 0.231 nan 8.290 nan 0.000 0.530 1518 R N 0.336 120.807 120.500 -0.049 0.000 2.540 1518 R HA 0.396 4.736 4.340 -0.000 0.000 0.287 1518 R C 0.053 176.220 176.300 -0.222 0.000 0.980 1518 R CA -0.709 55.314 56.100 -0.128 0.000 0.966 1518 R CB 1.682 31.913 30.300 -0.115 0.000 1.106 1518 R HN 0.360 nan 8.270 nan 0.000 0.480 1519 L N 1.729 122.746 121.223 -0.344 0.000 2.472 1519 L HA 0.184 4.524 4.340 -0.000 0.000 0.260 1519 L C 0.584 177.170 176.870 -0.474 0.000 1.209 1519 L CA -0.047 54.519 54.840 -0.457 0.000 0.817 1519 L CB 0.224 41.883 42.059 -0.666 0.000 1.106 1519 L HN 0.648 nan 8.230 nan 0.000 0.479 1520 E N -0.361 119.581 120.200 -0.431 0.000 2.256 1520 E HA 0.160 4.510 4.350 -0.000 0.000 0.267 1520 E C -0.331 176.081 176.600 -0.313 0.000 0.892 1520 E CA -0.794 55.384 56.400 -0.371 0.000 0.775 1520 E CB 1.003 30.582 29.700 -0.202 0.000 1.207 1520 E HN 0.463 nan 8.360 nan 0.000 0.420 1521 W N 1.252 122.482 121.300 -0.117 0.000 2.341 1521 W HA -0.140 4.515 4.660 -0.009 0.000 0.283 1521 W C 0.858 177.313 176.519 -0.106 0.000 1.215 1521 W CA 0.696 57.974 57.345 -0.111 0.000 1.211 1521 W CB 0.194 29.600 29.460 -0.090 0.000 1.131 1521 W HN 0.578 nan 8.180 nan 0.000 0.552 1522 D N -1.490 118.969 120.400 0.098 0.000 2.369 1522 D HA 0.117 4.757 4.640 -0.000 0.000 0.211 1522 D C 1.397 177.684 176.300 -0.021 0.000 1.077 1522 D CA 0.487 54.508 54.000 0.034 0.000 0.842 1522 D CB -0.130 40.675 40.800 0.009 0.000 0.947 1522 D HN 0.075 nan 8.370 nan 0.000 0.509 1523 G N 0.103 108.847 108.800 -0.093 0.000 2.882 1523 G HA2 0.564 4.524 3.960 -0.000 0.000 0.164 1523 G HA3 0.564 4.524 3.960 -0.000 0.000 0.164 1523 G C -0.462 174.395 174.900 -0.071 0.000 1.429 1523 G CA -0.558 44.404 45.100 -0.230 0.000 1.059 1523 G HN 0.168 nan 8.290 nan 0.000 0.581 1524 F N -3.411 116.525 119.950 -0.024 0.000 2.668 1524 F HA 0.659 5.187 4.527 0.000 0.000 0.309 1524 F C -1.137 174.698 175.800 0.058 0.000 1.117 1524 F CA -1.913 56.140 58.000 0.089 0.000 0.951 1524 F CB 1.012 40.136 39.000 0.207 0.000 1.323 1524 F HN 0.311 nan 8.300 nan 0.000 0.451 1525 F N 1.979 122.108 119.950 0.298 0.000 2.538 1525 F HA 0.299 4.825 4.527 -0.002 0.000 0.371 1525 F C 0.989 176.987 175.800 0.330 0.000 1.087 1525 F CA 0.217 58.336 58.000 0.199 0.000 1.250 1525 F CB 0.746 39.826 39.000 0.133 0.000 1.110 1525 F HN 0.539 nan 8.300 nan 0.000 0.570 1526 S N 1.341 117.247 115.700 0.344 0.000 2.584 1526 S HA 0.041 4.511 4.470 -0.000 0.000 0.270 1526 S C 0.015 174.779 174.600 0.272 0.000 1.346 1526 S CA -0.936 57.448 58.200 0.306 0.000 1.018 1526 S CB 0.397 63.703 63.200 0.178 0.000 0.899 1526 S HN 0.626 nan 8.310 nan 0.000 0.542 1527 T N 3.509 118.182 114.554 0.199 0.000 2.591 1527 T HA -0.056 4.294 4.350 -0.000 0.000 0.245 1527 T C 0.538 175.322 174.700 0.139 0.000 1.031 1527 T CA 0.541 62.726 62.100 0.141 0.000 1.187 1527 T CB -0.557 68.368 68.868 0.095 0.000 1.014 1527 T HN 0.628 nan 8.240 nan 0.000 0.488 1528 T N 3.949 118.575 114.554 0.120 0.000 2.933 1528 T HA 0.175 4.525 4.350 -0.000 0.000 0.306 1528 T C 0.504 175.247 174.700 0.072 0.000 1.045 1528 T CA -0.260 61.900 62.100 0.099 0.000 1.143 1528 T CB 0.543 69.422 68.868 0.019 0.000 1.003 1528 T HN 0.482 nan 8.240 nan 0.000 0.540 1529 V N 3.467 123.420 119.914 0.065 0.000 2.975 1529 V HA 0.466 4.586 4.120 -0.000 0.000 0.318 1529 V C 1.402 177.501 176.094 0.008 0.000 1.077 1529 V CA -0.090 62.227 62.300 0.027 0.000 1.000 1529 V CB 2.075 33.904 31.823 0.009 0.000 1.066 1529 V HN 1.095 nan 8.190 nan 0.000 0.452 1530 T N 0.661 115.209 114.554 -0.010 0.000 3.067 1530 T HA 0.188 4.538 4.350 -0.000 0.000 0.257 1530 T C 0.479 175.165 174.700 -0.024 0.000 1.105 1530 T CA 0.443 62.540 62.100 -0.004 0.000 1.104 1530 T CB -0.269 68.582 68.868 -0.028 0.000 0.925 1530 T HN 0.545 nan 8.240 nan 0.000 0.498 1531 N N 1.515 120.165 118.700 -0.084 0.000 2.655 1531 N HA 0.326 5.066 4.740 -0.000 0.000 0.277 1531 N C -3.532 171.872 175.510 -0.177 0.000 1.177 1531 N CA -1.613 51.350 53.050 -0.144 0.000 0.882 1531 N CB 1.822 40.261 38.487 -0.080 0.000 1.481 1531 N HN -0.113 nan 8.380 nan 0.000 0.547 1532 P HA 0.199 nan 4.420 nan 0.000 0.268 1532 P C -0.885 176.316 177.300 -0.165 0.000 1.282 1532 P CA 0.271 63.246 63.100 -0.208 0.000 0.880 1532 P CB 0.384 31.929 31.700 -0.260 0.000 0.971 1533 E N 4.710 124.822 120.200 -0.146 0.000 2.165 1533 E HA 0.213 4.563 4.350 -0.000 0.000 0.266 1533 E C -1.830 174.632 176.600 -0.229 0.000 0.889 1533 E CA -2.310 53.989 56.400 -0.168 0.000 0.756 1533 E CB 1.644 31.262 29.700 -0.137 0.000 1.131 1533 E HN 0.166 nan 8.360 nan 0.000 0.411 1534 P HA -0.040 nan 4.420 nan 0.000 0.223 1534 P C 0.867 177.853 177.300 -0.523 0.000 1.144 1534 P CA 1.131 63.862 63.100 -0.615 0.000 0.783 1534 P CB 0.299 31.227 31.700 -1.288 0.000 0.771 1535 M N -1.966 117.428 119.600 -0.343 0.000 2.502 1535 M HA 0.292 4.772 4.480 -0.000 0.000 0.351 1535 M C 0.668 176.848 176.300 -0.199 0.000 1.118 1535 M CA -0.287 54.877 55.300 -0.228 0.000 0.952 1535 M CB 0.643 33.154 32.600 -0.149 0.000 1.424 1535 M HN -0.181 nan 8.290 nan 0.000 0.529 1536 G N 0.527 109.238 108.800 -0.148 0.000 2.588 1536 G HA2 0.162 4.122 3.960 -0.000 0.000 0.278 1536 G HA3 0.162 4.122 3.960 -0.000 0.000 0.278 1536 G C 0.340 175.217 174.900 -0.037 0.000 1.307 1536 G CA -0.327 44.717 45.100 -0.094 0.000 1.016 1536 G HN 0.320 nan 8.290 nan 0.000 0.503 1537 K N -0.466 119.947 120.400 0.021 0.000 2.031 1537 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 1537 K C 2.492 179.151 176.600 0.100 0.000 1.049 1537 K CA 1.463 57.815 56.287 0.109 0.000 0.939 1537 K CB -0.136 32.438 32.500 0.124 0.000 0.717 1537 K HN 0.525 nan 8.250 nan 0.000 0.438 1538 Q N 1.005 120.841 119.800 0.059 0.000 2.294 1538 Q HA 0.149 4.489 4.340 -0.000 0.000 0.256 1538 Q C 0.925 176.946 176.000 0.034 0.000 0.907 1538 Q CA 0.442 56.280 55.803 0.059 0.000 0.954 1538 Q CB -0.429 28.343 28.738 0.056 0.000 1.102 1538 Q HN 0.455 nan 8.270 nan 0.000 0.429 1539 G N 0.056 108.871 108.800 0.025 0.000 3.295 1539 G HA2 0.098 4.058 3.960 -0.000 0.000 0.231 1539 G HA3 0.098 4.058 3.960 -0.000 0.000 0.231 1539 G C 0.611 175.495 174.900 -0.026 0.000 1.277 1539 G CA -0.398 44.686 45.100 -0.027 0.000 1.013 1539 G HN 0.477 nan 8.290 nan 0.000 0.509 1540 R N 0.764 121.261 120.500 -0.004 0.000 2.608 1540 R HA 0.302 4.642 4.340 -0.000 0.000 0.277 1540 R C 0.480 176.731 176.300 -0.081 0.000 1.341 1540 R CA -0.102 55.977 56.100 -0.034 0.000 1.199 1540 R CB 0.295 30.575 30.300 -0.034 0.000 1.156 1540 R HN 0.187 nan 8.270 nan 0.000 0.558 1541 V N 1.040 120.900 119.914 -0.091 0.000 3.329 1541 V HA 0.286 4.406 4.120 -0.000 0.000 0.317 1541 V C 0.016 176.061 176.094 -0.082 0.000 1.495 1541 V CA -0.510 61.737 62.300 -0.087 0.000 1.105 1541 V CB 0.016 31.800 31.823 -0.064 0.000 0.985 1541 V HN 0.313 nan 8.190 nan 0.000 0.475 1542 L N 1.492 122.663 121.223 -0.087 0.000 2.375 1542 L HA 0.520 4.860 4.340 -0.000 0.000 0.271 1542 L C 0.750 177.578 176.870 -0.069 0.000 1.107 1542 L CA -0.468 54.350 54.840 -0.035 0.000 0.806 1542 L CB 0.663 42.726 42.059 0.006 0.000 1.146 1542 L HN 0.322 nan 8.230 nan 0.000 0.447 1543 H N 3.815 122.829 119.070 -0.093 0.000 2.871 1543 H HA 0.012 4.574 4.556 0.009 0.000 0.355 1543 H C -1.804 173.386 175.328 -0.228 0.000 1.092 1543 H CA -0.931 55.028 56.048 -0.149 0.000 1.420 1543 H CB 1.667 31.393 29.762 -0.060 0.000 1.400 1543 H HN 0.332 nan 8.280 nan 0.000 0.604 1544 P HA -0.116 nan 4.420 nan 0.000 0.216 1544 P C 0.437 177.656 177.300 -0.135 0.000 1.150 1544 P CA 1.737 64.482 63.100 -0.591 0.000 0.843 1544 P CB 0.405 31.192 31.700 -1.523 0.000 0.787 1545 E N -2.103 118.230 120.200 0.221 0.000 2.444 1545 E HA 0.085 4.435 4.350 -0.000 0.000 0.203 1545 E C 0.558 177.173 176.600 0.026 0.000 0.847 1545 E CA -0.102 56.411 56.400 0.188 0.000 1.142 1545 E CB -0.007 29.879 29.700 0.311 0.000 1.125 1545 E HN 0.238 nan 8.360 nan 0.000 0.521 1546 Q N 1.246 121.032 119.800 -0.024 0.000 2.421 1546 Q HA 0.072 4.411 4.340 -0.000 0.000 0.255 1546 Q C -0.533 175.406 176.000 -0.101 0.000 1.013 1546 Q CA 0.120 55.764 55.803 -0.264 0.000 0.895 1546 Q CB 0.486 28.976 28.738 -0.414 0.000 1.271 1546 Q HN 0.219 nan 8.270 nan 0.000 0.460 1547 H N 3.216 122.270 119.070 -0.027 0.000 2.745 1547 H HA 0.278 4.839 4.556 0.009 0.000 0.235 1547 H C -0.490 174.840 175.328 0.003 0.000 1.815 1547 H CA -0.133 55.912 56.048 -0.005 0.000 1.321 1547 H CB -0.706 29.045 29.762 -0.018 0.000 1.716 1547 H HN 0.518 nan 8.280 nan 0.000 0.546 1548 R N -1.482 119.091 120.500 0.122 0.000 2.752 1548 R HA 0.471 4.811 4.340 -0.000 0.000 0.277 1548 R C -1.037 175.303 176.300 0.066 0.000 1.024 1548 R CA -0.997 55.146 56.100 0.072 0.000 0.866 1548 R CB 0.637 30.956 30.300 0.030 0.000 1.278 1548 R HN 0.011 nan 8.270 nan 0.000 0.473 1549 V N -0.635 119.302 119.914 0.040 0.000 3.214 1549 V HA 0.640 4.759 4.120 -0.000 0.000 0.306 1549 V C 0.725 176.873 176.094 0.089 0.000 1.078 1549 V CA -0.641 61.676 62.300 0.028 0.000 1.077 1549 V CB 1.032 32.843 31.823 -0.020 0.000 1.121 1549 V HN 0.663 nan 8.190 nan 0.000 0.468 1550 V N 0.653 120.633 119.914 0.110 0.000 2.686 1550 V HA 0.532 4.652 4.120 -0.000 0.000 0.295 1550 V C 0.710 176.963 176.094 0.264 0.000 1.055 1550 V CA 0.105 62.534 62.300 0.215 0.000 1.050 1550 V CB 0.342 32.330 31.823 0.275 0.000 0.984 1550 V HN 1.320 nan 8.190 nan 0.000 0.482 1551 S N 2.794 118.674 115.700 0.300 0.000 2.600 1551 S HA 0.272 4.742 4.470 -0.000 0.000 0.265 1551 S C 1.032 175.794 174.600 0.271 0.000 1.325 1551 S CA -0.121 58.252 58.200 0.289 0.000 1.002 1551 S CB 1.362 64.793 63.200 0.385 0.000 0.921 1551 S HN 0.728 nan 8.310 nan 0.000 0.554 1552 V N 1.513 121.458 119.914 0.052 0.000 2.392 1552 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 1552 V C 2.868 178.934 176.094 -0.047 0.000 1.059 1552 V CA 2.400 64.558 62.300 -0.236 0.000 1.051 1552 V CB -1.165 30.400 31.823 -0.430 0.000 0.658 1552 V HN 0.934 nan 8.190 nan 0.000 0.455 1553 R N 0.541 121.083 120.500 0.071 0.000 2.066 1553 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 1553 R C 2.221 178.580 176.300 0.098 0.000 1.131 1553 R CA 1.795 57.947 56.100 0.086 0.000 0.955 1553 R CB -0.418 29.900 30.300 0.031 0.000 0.851 1553 R HN 0.615 nan 8.270 nan 0.000 0.432 1554 E N -0.694 119.598 120.200 0.153 0.000 2.130 1554 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 1554 E C 2.087 178.736 176.600 0.082 0.000 0.998 1554 E CA 1.441 57.957 56.400 0.194 0.000 0.806 1554 E CB -0.165 29.735 29.700 0.333 0.000 0.738 1554 E HN 0.413 nan 8.360 nan 0.000 0.459 1555 C N 0.465 119.813 119.300 0.080 0.000 2.476 1555 C HA -0.003 4.457 4.460 -0.000 0.000 0.278 1555 C C 2.926 177.897 174.990 -0.032 0.000 1.274 1555 C CA 0.656 59.657 59.018 -0.030 0.000 1.713 1555 C CB -0.888 26.909 27.740 0.094 0.000 2.039 1555 C HN 0.536 nan 8.230 nan 0.000 0.484 1556 A N 0.364 123.196 122.820 0.020 0.000 1.986 1556 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 1556 A C 2.238 179.977 177.584 0.259 0.000 1.171 1556 A CA 1.528 53.673 52.037 0.181 0.000 0.640 1556 A CB -0.464 18.660 19.000 0.207 0.000 0.811 1556 A HN 0.611 nan 8.150 nan 0.000 0.451 1557 R N -0.153 120.423 120.500 0.127 0.000 2.153 1557 R HA -0.054 4.286 4.340 -0.000 0.000 0.218 1557 R C 2.529 178.892 176.300 0.104 0.000 1.072 1557 R CA 1.401 57.590 56.100 0.147 0.000 0.990 1557 R CB -0.462 29.935 30.300 0.161 0.000 0.889 1557 R HN 0.755 nan 8.270 nan 0.000 0.452 1558 S N 0.194 115.781 115.700 -0.189 0.000 2.414 1558 S HA -0.025 4.445 4.470 -0.000 0.000 0.227 1558 S C 1.239 175.725 174.600 -0.189 0.000 1.022 1558 S CA 0.198 58.122 58.200 -0.460 0.000 0.958 1558 S CB 0.128 62.464 63.200 -1.440 0.000 0.797 1558 S HN 0.108 nan 8.310 nan 0.000 0.493 1559 Q N 0.695 120.451 119.800 -0.074 0.000 2.306 1559 Q HA 0.366 4.706 4.340 -0.000 0.000 0.175 1559 Q C 1.197 177.180 176.000 -0.029 0.000 1.107 1559 Q CA 0.527 56.306 55.803 -0.041 0.000 1.170 1559 Q CB -0.276 28.501 28.738 0.066 0.000 1.376 1559 Q HN 0.472 nan 8.270 nan 0.000 0.618 1560 G N -0.214 108.444 108.800 -0.237 0.000 3.434 1560 G HA2 0.241 4.201 3.960 -0.000 0.000 0.258 1560 G HA3 0.241 4.201 3.960 -0.000 0.000 0.258 1560 G C -0.356 174.375 174.900 -0.281 0.000 1.128 1560 G CA -0.300 44.677 45.100 -0.205 0.000 0.792 1560 G HN 0.182 nan 8.290 nan 0.000 0.539 1561 F N 1.660 121.563 119.950 -0.079 0.000 2.541 1561 F HA 0.262 4.789 4.527 -0.001 0.000 0.378 1561 F C -1.657 174.087 175.800 -0.094 0.000 1.068 1561 F CA -2.090 55.850 58.000 -0.101 0.000 1.199 1561 F CB 0.768 39.803 39.000 0.058 0.000 1.091 1561 F HN -0.057 nan 8.300 nan 0.000 0.555 1562 P HA -0.025 nan 4.420 nan 0.000 0.265 1562 P C 0.138 177.474 177.300 0.059 0.000 1.193 1562 P CA 0.123 63.217 63.100 -0.010 0.000 0.765 1562 P CB 0.646 32.344 31.700 -0.003 0.000 0.823 1563 D N 1.911 122.317 120.400 0.010 0.000 2.315 1563 D HA -0.152 4.488 4.640 -0.000 0.000 0.211 1563 D C 2.157 178.462 176.300 0.007 0.000 0.977 1563 D CA 1.944 55.970 54.000 0.043 0.000 0.894 1563 D CB -0.564 40.284 40.800 0.080 0.000 0.910 1563 D HN 0.487 nan 8.370 nan 0.000 0.490 1564 S N -0.475 115.220 115.700 -0.008 0.000 2.423 1564 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 1564 S C 0.876 175.413 174.600 -0.104 0.000 1.014 1564 S CA 0.317 58.487 58.200 -0.051 0.000 0.965 1564 S CB -0.519 62.654 63.200 -0.045 0.000 0.785 1564 S HN 0.229 nan 8.310 nan 0.000 0.495 1565 Y N 3.102 123.281 120.300 -0.201 0.000 2.620 1565 Y HA 0.217 4.767 4.550 -0.001 0.000 0.330 1565 Y C 0.404 175.895 175.900 -0.682 0.000 1.186 1565 Y CA -0.336 57.558 58.100 -0.343 0.000 1.467 1565 Y CB 0.554 38.892 38.460 -0.203 0.000 1.262 1565 Y HN 0.141 nan 8.280 nan 0.000 0.550 1566 R N 5.763 125.727 120.500 -0.892 0.000 2.407 1566 R HA 0.354 4.694 4.340 -0.000 0.000 0.303 1566 R C -1.326 174.502 176.300 -0.787 0.000 0.981 1566 R CA -0.629 55.044 56.100 -0.713 0.000 0.905 1566 R CB 0.756 30.800 30.300 -0.427 0.000 1.099 1566 R HN 0.508 nan 8.270 nan 0.000 0.459 1567 F N 1.103 121.005 119.950 -0.081 0.000 2.585 1567 F HA 0.603 5.129 4.527 -0.002 0.000 0.350 1567 F C -0.214 175.623 175.800 0.062 0.000 1.074 1567 F CA -1.223 56.757 58.000 -0.033 0.000 1.032 1567 F CB 0.835 39.786 39.000 -0.081 0.000 1.330 1567 F HN 0.317 nan 8.300 nan 0.000 0.495 1568 F N 0.229 120.232 119.950 0.089 0.000 2.605 1568 F HA 0.641 5.169 4.527 0.001 0.000 0.320 1568 F C -0.308 175.452 175.800 -0.066 0.000 1.159 1568 F CA -0.229 57.755 58.000 -0.026 0.000 0.999 1568 F CB 1.463 40.418 39.000 -0.075 0.000 1.258 1568 F HN 0.781 nan 8.300 nan 0.000 0.464 1569 G N 3.922 112.289 108.800 -0.721 0.000 2.343 1569 G HA2 0.091 4.051 3.960 -0.000 0.000 0.465 1569 G HA3 0.091 4.051 3.960 -0.000 0.000 0.465 1569 G C -1.546 173.176 174.900 -0.298 0.000 1.282 1569 G CA -0.707 44.076 45.100 -0.529 0.000 0.996 1569 G HN 1.132 nan 8.290 nan 0.000 0.521 1570 N N -0.524 118.068 118.700 -0.179 0.000 2.260 1570 N HA 0.242 4.981 4.740 -0.000 0.000 0.230 1570 N C 1.748 177.222 175.510 -0.059 0.000 1.323 1570 N CA 0.072 53.062 53.050 -0.099 0.000 0.897 1570 N CB 0.540 38.998 38.487 -0.047 0.000 1.146 1570 N HN 0.985 nan 8.380 nan 0.000 0.460 1571 I N -0.648 119.900 120.570 -0.037 0.000 2.248 1571 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 1571 I C 1.641 177.783 176.117 0.042 0.000 1.107 1571 I CA 1.308 62.592 61.300 -0.027 0.000 1.373 1571 I CB -0.015 37.992 38.000 0.013 0.000 1.055 1571 I HN 0.484 nan 8.210 nan 0.000 0.418 1572 L N 0.143 121.417 121.223 0.086 0.000 2.005 1572 L HA -0.220 4.119 4.340 -0.000 0.000 0.207 1572 L C 2.256 179.228 176.870 0.170 0.000 1.072 1572 L CA 1.489 56.412 54.840 0.139 0.000 0.744 1572 L CB -1.116 41.005 42.059 0.103 0.000 0.895 1572 L HN 0.262 nan 8.230 nan 0.000 0.433 1573 D N 0.251 120.759 120.400 0.180 0.000 2.133 1573 D HA -0.213 4.427 4.640 -0.000 0.000 0.192 1573 D C 2.279 178.713 176.300 0.224 0.000 1.001 1573 D CA 1.407 55.596 54.000 0.316 0.000 0.844 1573 D CB -0.194 40.674 40.800 0.113 0.000 0.944 1573 D HN 0.279 nan 8.370 nan 0.000 0.447 1574 R N -0.391 120.128 120.500 0.031 0.000 2.070 1574 R HA -0.113 4.227 4.340 -0.000 0.000 0.233 1574 R C 2.434 178.616 176.300 -0.197 0.000 1.137 1574 R CA 0.978 57.006 56.100 -0.120 0.000 0.945 1574 R CB -0.405 29.776 30.300 -0.199 0.000 0.845 1574 R HN 0.377 nan 8.270 nan 0.000 0.430 1575 H N 0.434 119.452 119.070 -0.087 0.000 2.319 1575 H HA -0.168 4.387 4.556 -0.002 0.000 0.297 1575 H C 2.220 177.510 175.328 -0.062 0.000 1.097 1575 H CA 1.972 57.964 56.048 -0.093 0.000 1.285 1575 H CB -0.188 29.550 29.762 -0.040 0.000 1.368 1575 H HN 0.157 nan 8.280 nan 0.000 0.495 1576 R N 1.033 121.620 120.500 0.145 0.000 2.091 1576 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 1576 R C 2.313 178.681 176.300 0.113 0.000 1.136 1576 R CA 1.772 57.927 56.100 0.091 0.000 0.959 1576 R CB -0.035 30.292 30.300 0.044 0.000 0.856 1576 R HN 0.415 nan 8.270 nan 0.000 0.437 1577 Q N -0.289 119.618 119.800 0.178 0.000 2.050 1577 Q HA -0.139 4.200 4.340 -0.000 0.000 0.202 1577 Q C 2.224 178.229 176.000 0.008 0.000 0.980 1577 Q CA 1.940 57.844 55.803 0.168 0.000 0.840 1577 Q CB -0.033 28.793 28.738 0.147 0.000 0.898 1577 Q HN 0.219 nan 8.270 nan 0.000 0.424 1578 V N 0.582 120.363 119.914 -0.221 0.000 2.237 1578 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 1578 V C 2.297 178.416 176.094 0.041 0.000 1.046 1578 V CA 2.075 64.228 62.300 -0.244 0.000 1.007 1578 V CB -1.363 30.210 31.823 -0.417 0.000 0.638 1578 V HN 0.570 nan 8.190 nan 0.000 0.445 1579 G N -0.064 108.753 108.800 0.028 0.000 2.485 1579 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.221 1579 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.221 1579 G C 1.390 176.322 174.900 0.052 0.000 1.115 1579 G CA 1.034 46.163 45.100 0.048 0.000 0.751 1579 G HN 0.509 nan 8.290 nan 0.000 0.567 1580 N N 0.631 119.369 118.700 0.064 0.000 2.446 1580 N HA 0.159 4.899 4.740 -0.000 0.000 0.179 1580 N C 1.029 176.583 175.510 0.073 0.000 1.054 1580 N CA 0.574 53.658 53.050 0.055 0.000 0.905 1580 N CB 0.076 38.605 38.487 0.069 0.000 0.973 1580 N HN 0.346 nan 8.380 nan 0.000 0.448 1581 A N 0.243 123.142 122.820 0.131 0.000 2.302 1581 A HA 0.441 4.761 4.320 -0.000 0.000 0.285 1581 A C 0.143 177.743 177.584 0.026 0.000 1.105 1581 A CA -0.479 51.647 52.037 0.149 0.000 0.816 1581 A CB 0.753 19.990 19.000 0.396 0.000 1.067 1581 A HN -0.044 nan 8.150 nan 0.000 0.489 1582 V N 3.588 123.467 119.914 -0.058 0.000 2.521 1582 V HA 0.137 4.257 4.120 -0.000 0.000 0.286 1582 V C -2.042 173.905 176.094 -0.245 0.000 1.034 1582 V CA -0.818 61.395 62.300 -0.144 0.000 1.045 1582 V CB 0.642 32.351 31.823 -0.189 0.000 0.974 1582 V HN 0.726 nan 8.190 nan 0.000 0.480 1583 P HA 0.094 nan 4.420 nan 0.000 0.262 1583 P C -2.024 175.065 177.300 -0.352 0.000 1.199 1583 P CA -0.928 61.979 63.100 -0.322 0.000 0.763 1583 P CB 0.192 31.776 31.700 -0.195 0.000 0.790 1584 P HA -0.181 nan 4.420 nan 0.000 0.216 1584 P C -1.220 175.946 177.300 -0.223 0.000 1.154 1584 P CA 2.348 65.219 63.100 -0.381 0.000 0.865 1584 P CB -1.560 29.864 31.700 -0.460 0.000 0.789 1585 P HA -0.183 nan 4.420 nan 0.000 0.216 1585 P C 1.658 178.910 177.300 -0.080 0.000 1.154 1585 P CA 1.099 64.160 63.100 -0.064 0.000 0.865 1585 P CB -0.435 31.262 31.700 -0.006 0.000 0.789 1586 L N -0.788 120.352 121.223 -0.139 0.000 2.072 1586 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 1586 L C 2.250 178.983 176.870 -0.228 0.000 1.079 1586 L CA 1.909 56.611 54.840 -0.229 0.000 0.752 1586 L CB -1.401 40.545 42.059 -0.189 0.000 0.906 1586 L HN -0.134 nan 8.230 nan 0.000 0.436 1587 A N -0.879 121.821 122.820 -0.200 0.000 1.969 1587 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 1587 A C 2.419 179.997 177.584 -0.011 0.000 1.169 1587 A CA 1.741 53.667 52.037 -0.185 0.000 0.635 1587 A CB -0.528 18.276 19.000 -0.325 0.000 0.810 1587 A HN 0.461 nan 8.150 nan 0.000 0.445 1588 K N -0.171 120.202 120.400 -0.045 0.000 2.025 1588 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 1588 K C 2.217 178.810 176.600 -0.011 0.000 1.049 1588 K CA 1.145 57.438 56.287 0.010 0.000 0.933 1588 K CB -0.361 32.131 32.500 -0.014 0.000 0.714 1588 K HN 0.328 nan 8.250 nan 0.000 0.438 1589 A N 1.702 124.475 122.820 -0.079 0.000 1.892 1589 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 1589 A C 2.110 179.616 177.584 -0.129 0.000 1.188 1589 A CA 1.850 53.815 52.037 -0.121 0.000 0.631 1589 A CB -0.710 18.078 19.000 -0.353 0.000 0.822 1589 A HN 0.381 nan 8.150 nan 0.000 0.447 1590 I N -0.515 119.970 120.570 -0.141 0.000 2.179 1590 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 1590 I C 2.775 178.852 176.117 -0.066 0.000 1.088 1590 I CA 1.049 62.289 61.300 -0.101 0.000 1.357 1590 I CB -0.997 36.979 38.000 -0.040 0.000 1.051 1590 I HN 0.400 nan 8.210 nan 0.000 0.409 1591 G N 1.682 110.497 108.800 0.026 0.000 2.513 1591 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 1591 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 1591 G C 1.714 176.503 174.900 -0.185 0.000 1.160 1591 G CA 0.878 45.874 45.100 -0.173 0.000 0.767 1591 G HN 0.304 nan 8.290 nan 0.000 0.571 1592 L N 0.070 121.238 121.223 -0.091 0.000 2.141 1592 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 1592 L C 2.862 179.684 176.870 -0.079 0.000 1.094 1592 L CA 0.813 55.610 54.840 -0.071 0.000 0.763 1592 L CB -0.295 41.752 42.059 -0.020 0.000 0.908 1592 L HN 0.144 nan 8.230 nan 0.000 0.437 1593 E N 0.285 120.433 120.200 -0.087 0.000 2.150 1593 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 1593 E C 2.233 178.767 176.600 -0.110 0.000 0.985 1593 E CA 1.108 57.462 56.400 -0.077 0.000 0.814 1593 E CB 0.004 29.652 29.700 -0.085 0.000 0.752 1593 E HN 0.564 nan 8.360 nan 0.000 0.466 1594 I N 0.511 120.963 120.570 -0.197 0.000 2.406 1594 I HA -0.167 4.003 4.170 -0.000 0.000 0.249 1594 I C 2.513 178.459 176.117 -0.285 0.000 1.122 1594 I CA 0.558 61.675 61.300 -0.306 0.000 1.431 1594 I CB -0.226 37.464 38.000 -0.517 0.000 1.087 1594 I HN 0.013 nan 8.210 nan 0.000 0.424 1595 K N 1.547 121.813 120.400 -0.225 0.000 2.127 1595 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 1595 K C 2.067 178.614 176.600 -0.088 0.000 1.047 1595 K CA 1.491 57.687 56.287 -0.152 0.000 0.927 1595 K CB -0.132 32.303 32.500 -0.108 0.000 0.716 1595 K HN 0.288 nan 8.250 nan 0.000 0.450 1596 L N 0.121 121.307 121.223 -0.062 0.000 2.456 1596 L HA -0.176 4.164 4.340 -0.000 0.000 0.224 1596 L C 1.781 178.655 176.870 0.006 0.000 1.148 1596 L CA 0.406 55.236 54.840 -0.018 0.000 0.825 1596 L CB -0.072 41.985 42.059 -0.003 0.000 0.937 1596 L HN 0.349 nan 8.230 nan 0.000 0.450 1597 C N -1.018 118.283 119.300 0.001 0.000 2.791 1597 C HA 0.172 4.632 4.460 -0.000 0.000 0.270 1597 C C 2.166 177.218 174.990 0.103 0.000 1.257 1597 C CA -0.341 58.728 59.018 0.086 0.000 1.699 1597 C CB -0.515 27.341 27.740 0.193 0.000 1.904 1597 C HN 0.439 nan 8.230 nan 0.000 0.603 1598 L N -0.545 120.692 121.223 0.024 0.000 2.470 1598 L HA 0.171 4.511 4.340 -0.000 0.000 0.219 1598 L C 1.930 178.818 176.870 0.031 0.000 1.071 1598 L CA 0.456 55.318 54.840 0.036 0.000 0.850 1598 L CB -0.253 41.793 42.059 -0.022 0.000 1.040 1598 L HN 0.195 nan 8.230 nan 0.000 0.475 1599 L N 0.559 121.791 121.223 0.015 0.000 2.591 1599 L HA 0.316 4.655 4.340 -0.000 0.000 0.228 1599 L C 1.648 178.533 176.870 0.025 0.000 1.133 1599 L CA 0.241 55.090 54.840 0.016 0.000 0.880 1599 L CB -0.952 41.110 42.059 0.005 0.000 1.033 1599 L HN 0.198 nan 8.230 nan 0.000 0.450 1600 S N 0.000 115.722 115.700 0.037 0.000 2.498 1600 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1600 S CA 0.000 58.224 58.200 0.040 0.000 1.107 1600 S CB 0.000 63.234 63.200 0.056 0.000 0.593 1600 S HN 0.000 nan 8.310 nan 0.000 0.517