NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5239 8.1627 118.3386 54.9027 33.5335 173.6848 2 Q 3.5693 8.4311 121.2315 55.7556 29.0596 173.8592 3 K 4.3533 9.5455 128.8438 58.2557 33.7332 176.2398 4 A 4.4421 7.4524 118.1982 51.1116 22.5230 174.9695 5 V 4.4825 8.3568 119.6645 62.1062 32.3762 176.1221 6 V 4.4451 8.6295 119.6821 61.4135 33.4622 175.7932 7 M 4.6006 7.7348 119.8512 54.7566 36.5799 174.4682 8 D 5.1498 8.4830 124.2307 51.5794 42.4521 176.3267 9 E 3.9024 8.7774 118.1627 59.8494 29.3029 178.6562 10 Q 3.9327 8.1053 118.6794 59.1438 29.2495 177.8547 11 A 4.0318 8.8331 122.3070 55.1295 18.3485 179.7515 12 I 3.7163 7.8853 118.5149 64.2454 37.1756 178.5970 13 R 3.8618 8.1284 119.5978 59.6627 29.9997 178.8449 14 R 3.9444 8.1336 117.5997 59.0421 29.9962 178.9929 15 A 3.9969 8.1315 120.5587 55.3172 18.5318 179.7773 16 L 3.9979 8.1050 117.5165 58.0894 41.5885 180.0268 17 T 3.8950 8.0109 115.9176 66.6364 68.4555 176.9051 18 R 4.0128 8.2235 120.6271 59.2699 30.0158 178.7153 19 I 3.9065 7.8752 119.7709 64.1109 37.1118 177.9503 20 A 3.8387 7.8115 121.4911 55.7290 18.1095 179.4747 21 H 4.1065 8.0245 114.0404 58.9200 28.6309 177.9916 22 E 4.0680 8.2150 120.5012 59.4166 29.4537 179.3976 23 I 3.4109 7.8606 120.1769 64.3719 37.0447 178.5339 24 I 3.7811 7.7222 120.5540 64.2486 36.7777 178.1521 25 E 3.9500 8.4481 120.2656 59.3969 29.4181 178.5567 26 R 4.3864 8.1476 114.6085 57.1978 30.3555 176.5948 27 N 4.8860 7.4965 113.1176 51.7078 40.7040 174.1319 28 K 3.6820 8.8707 117.4704 57.3582 30.0814 174.5801 29 G 4.0156 8.2213 104.1713 45.0787 0.0000 173.1237 30 I 4.1790 8.1717 111.1652 60.2171 37.9657 174.9806 31 D 4.4266 7.9373 120.9707 56.3076 41.3018 176.7469 32 G 3.9628 8.9491 113.5346 45.7942 0.0000 172.4182 33 C 5.0240 8.0471 117.4960 59.0482 29.8387 173.5621 34 V 4.4040 8.4883 120.9304 61.5482 35.2195 173.3644 35 L 4.8521 8.6717 128.0232 53.3883 43.5869 175.6246 36 V 4.3830 8.6747 124.4717 60.7721 33.9829 174.6828 37 G 4.0185 8.5824 116.4779 46.0739 0.0000 172.4626 38 I 4.6849 8.6049 124.8370 59.0489 39.7315 177.2247 39 K 3.7991 8.3333 122.1031 58.1382 31.5827 176.5478 40 T 4.4208 8.4097 118.9279 66.8397 69.6898 176.7410 41 R 4.3493 8.0132 119.0985 58.8019 30.1092 179.1596 42 G 3.6640 7.8189 104.7333 47.5710 0.0000 176.0032 43 I 3.6458 7.4538 121.3328 64.5191 37.1054 178.1305 44 Y 3.9674 7.8117 117.0674 60.9133 37.6634 178.4538 45 L 4.0184 8.2087 119.8639 57.5613 41.6483 179.2569 46 A 3.9255 8.2820 121.1560 55.3899 18.3888 179.9022 47 R 3.8164 8.1838 116.7150 59.3684 30.0312 179.6300 48 R 3.9164 7.9273 117.8730 59.2533 30.0646 179.0354 49 L 3.9140 8.1218 118.6784 57.6630 41.5063 179.3936 50 A 3.9459 8.1837 120.8531 55.2159 18.2953 179.5631 51 E 3.8861 8.0858 116.8894 59.6125 29.5774 179.7777 52 R 3.9076 8.0929 118.0928 59.2533 30.0348 179.2267 53 I 3.5979 8.0576 119.8874 64.3475 37.0622 177.8655 54 E 4.5480 8.3403 121.8389 58.9636 29.1507 178.7811 55 Q 3.9226 8.3023 118.6259 58.9172 29.1254 177.8958 56 I 3.9615 7.5187 120.0440 63.7428 37.3372 177.3381 57 E 4.4113 9.0454 118.2456 55.7304 29.8196 178.1142 58 G 3.9542 8.3649 106.7896 45.0599 0.0000 173.2206 59 A 4.6859 7.3139 122.3037 50.1748 20.8534 176.6353 60 S 4.7293 8.3643 116.6444 57.4967 64.4673 173.6301 61 V 4.3676 7.8292 120.6647 60.0973 33.8846 173.5880 62 P 4.4218 0.0000 0.0000 62.8171 32.5614 175.1766 63 V 4.6988 8.3750 122.9723 61.0785 33.8340 174.7650 64 G 3.9431 8.9215 114.6618 44.2977 0.0000 171.3642 65 E 5.0836 8.6973 118.8690 54.0970 32.4460 175.3814 66 L 4.7710 8.7083 125.6666 53.3126 44.7189 175.3200 67 D 4.4048 8.8516 126.0562 53.4293 41.4922 175.3359 68 I 4.0126 8.7972 127.8941 58.8727 36.9368 177.7377 69 T 3.3412 7.5406 119.7239 65.2907 68.9344 175.6791 70 L 3.9649 6.8449 121.1069 55.1830 43.6333 177.3166 71 Y 3.6982 8.3388 113.8135 58.4510 36.0378 170.1486 72 R 3.6310 7.5737 117.0840 56.8763 28.5140 176.3023 *91 V 3.8720 7.6413 114.4731 61.8635 32.5302 173.1332 92 P 4.1123 0.0000 0.0000 62.8314 31.8174 175.2342 93 F 4.6595 7.8062 112.8159 56.2481 39.9672 172.5417 94 P 3.1933 0.0000 0.0000 62.0646 31.1723 176.1323 95 V 3.5135 8.1537 125.2188 63.0210 32.1401 170.4548 96 T 4.0244 7.7477 115.0793 65.3147 68.8726 173.0739 97 E 3.7876 9.4741 126.6791 56.9875 28.9698 173.7726 98 R 4.6651 8.2599 115.2850 54.1659 33.8732 175.1208 99 N 5.0594 9.1909 120.5719 52.4119 39.2171 173.1278 100 V 4.2265 8.7013 125.8444 62.4091 32.8010 174.8482 101 I 4.8436 8.9353 131.1921 59.6168 38.4630 175.4119 102 L 4.6345 9.1860 128.9384 54.5477 42.9590 176.5818 103 V 4.9175 8.7650 122.8365 61.2849 34.5734 173.7902 104 D 5.0582 9.0263 126.0129 53.0128 44.9605 175.5134 105 D 4.4611 8.8768 122.1023 55.7659 40.9070 176.4177 106 V 4.9276 7.5994 117.1864 60.6472 34.8779 174.1690 107 L 4.5110 9.0669 130.2857 55.0636 43.7111 174.1732 108 F 5.2159 9.1991 125.6533 58.9068 39.9976 176.7901 109 T 3.8910 8.3577 114.0382 62.1703 69.4893 177.0514 110 G 4.0165 8.3149 109.8182 45.4502 0.0000 175.1589 111 R 3.9436 7.8574 119.2883 59.5112 29.9152 179.0069 112 T 3.9472 7.8834 115.2645 66.3699 68.5026 176.6740 113 V 3.5899 7.5516 119.8492 65.9217 31.5812 177.8215 114 R 3.8339 8.0757 117.6329 59.6000 29.9604 177.8769 115 A 4.0332 7.8398 119.8718 55.3919 18.3968 179.4778 116 A 4.0337 8.4742 119.4838 55.4827 18.4073 179.8572 117 M 4.0489 8.6217 117.6223 58.5422 32.1778 178.5445 118 D 4.3251 8.1712 118.7914 57.5533 40.8541 178.7522 119 A 3.9494 7.6686 119.4630 55.0743 18.5280 179.7634 120 V 3.7513 7.5630 116.2420 66.4902 31.5945 177.6502 121 M 5.1568 7.6770 115.9008 55.8354 32.0013 177.2891 122 D 4.5907 7.8366 118.6728 55.1339 41.4810 177.2645 123 L 4.6237 8.5683 117.7694 53.9452 43.0728 176.3857 124 G 3.8358 6.7296 106.2980 45.4266 0.0000 171.0623 125 R 4.8996 7.6789 118.6857 53.5798 31.9256 174.0342 126 P 4.9787 0.0000 0.0000 62.1265 32.1640 176.4423 127 A 4.2975 8.7391 123.6988 55.1498 18.9817 177.8009 128 R 4.4691 7.4245 108.6805 55.8527 32.4435 173.7245 129 I 5.1646 8.4774 120.1923 59.7494 39.9130 175.0460 130 Q 5.0059 9.4573 124.7822 53.9894 33.2169 174.1130 131 L 5.2641 9.1496 121.4165 53.4527 45.6466 174.7883 132 A 5.4392 9.6438 127.9264 50.3748 21.8934 175.3029 133 V 5.5492 8.6647 114.4258 58.5055 36.0406 176.7165 134 L 4.0587 8.6782 125.0956 57.8420 43.2573 177.0523 135 V 5.4700 8.1984 110.9201 58.4387 36.2342 174.1539 136 D 5.2817 8.7818 124.0556 52.5207 43.0668 175.8672 137 R 4.9842 8.1696 122.0754 55.0838 30.3626 178.0784 138 G 3.7403 8.6901 109.8710 46.5001 0.0000 173.1960 139 H 4.1144 8.5448 113.0873 56.6320 25.7577 175.0226 140 R 4.3729 8.0651 117.6062 56.3996 30.3831 175.6379 141 E 4.6695 8.9930 121.9359 55.9098 30.7131 175.8383 142 L 4.7993 7.3674 117.7010 52.2891 46.1949 175.0165 143 P 4.6365 0.0000 0.0000 62.9849 30.0924 176.3910 144 I 4.5828 7.3267 117.8926 60.1670 40.2303 175.8711 145 R 4.6609 8.1607 118.9593 54.1881 32.5637 174.3757 146 A 4.4487 8.2860 121.7588 51.7563 19.8095 177.5083 147 D 4.3461 8.7540 121.8837 56.1872 41.8983 177.2609 148 F 4.9306 8.0199 116.3603 55.4717 42.7720 174.4661 149 V 4.7601 8.5065 122.5458 61.1939 33.5325 175.0766 150 G 3.8656 9.1971 116.4450 48.7458 0.0000 173.4852 151 K 4.6639 8.3117 121.6633 54.7194 36.3223 173.7545 152 N 4.9825 8.8204 124.9850 52.7042 39.7922 174.8222 153 V 4.2416 8.7414 125.2823 60.0881 33.3224 172.9383 154 P 4.5699 0.0000 0.0000 62.9918 31.7073 176.1891 155 T 4.8518 8.1304 111.6369 60.0328 72.1390 173.1151 156 S 4.7322 8.6324 116.5559 56.6593 64.7242 175.2702 157 R 3.7959 8.5671 121.9179 59.4283 29.8654 177.9732 158 S 4.3388 7.9350 110.9741 60.4612 63.6372 174.2145 159 E 4.3568 7.7004 119.8273 56.2058 30.3252 176.0685 160 L 4.6603 8.7609 123.1467 53.3856 45.2066 175.0093 161 I 4.6981 8.1546 126.3832 59.8735 38.8748 174.9768 162 V 4.2358 8.7533 127.6797 61.0622 33.7103 174.2349 163 V 4.7243 8.4356 128.2209 61.3659 33.0044 174.2971 164 E 4.9767 9.4116 128.2290 54.5896 32.0338 175.0923 165 L 5.1558 9.0544 124.2369 52.6205 44.8405 177.6860 166 S 3.8492 9.6415 118.4443 61.6912 62.8395 176.8523 167 E 3.8316 7.9323 118.6984 57.9810 29.2586 177.6704 168 V 4.1588 7.4002 115.3314 62.4938 33.5672 175.3485 169 D 4.7364 8.8933 117.3610 53.3896 41.7180 177.0477 170 G 4.0182 9.4309 108.3024 45.2687 0.0000 173.3789 171 I 4.5605 7.0522 110.5532 59.8555 40.7047 173.8625 172 D 5.0183 8.2870 123.3240 53.4905 41.9915 175.8168 173 Q 4.7126 8.6558 122.1865 55.2686 33.4633 172.5940 174 V 5.0096 8.5846 125.7291 61.1834 34.4644 174.4694 175 S 5.1488 9.0516 121.0293 56.9916 67.4096 172.4226 176 I 4.8553 8.7981 121.4526 60.0882 39.1794 175.0122 177 H 5.2678 9.3898 123.4007 54.1701 33.0410 172.6915 178 E 4.6967 8.8719 120.3227 55.4484 32.4094 175.1392 179 K 4.1922 8.6861 125.7040 56.6633 32.3570 176.5959 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.52 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 2 Q 8.43 3.57 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 3 K 9.55 4.35 0.00 1.82 1.81 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.36 7.81 4 A 7.45 4.44 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.36 4.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 6 V 8.63 4.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 7 M 7.73 4.60 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 8 D 8.48 5.15 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.78 3.90 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 10 Q 8.11 3.93 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 11 A 8.83 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.89 3.72 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.91 0.00 0.00 13 R 8.13 3.86 0.00 1.98 2.08 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 14 R 8.13 3.94 0.00 1.91 1.97 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 15 A 8.13 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.11 4.00 0.00 1.70 1.72 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.01 3.90 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 18 R 8.22 4.01 0.00 1.92 2.14 0.00 3.32 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 19 I 7.88 3.91 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.77 0.00 0.00 20 A 7.81 3.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.02 4.11 0.00 3.34 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.22 4.07 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 23 I 7.86 3.41 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.29 0.72 0.00 0.00 24 I 7.72 3.78 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.95 0.00 0.00 25 E 8.45 3.95 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 26 R 8.15 4.39 0.00 2.05 2.05 0.00 3.21 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.01 0.00 27 N 7.50 4.89 0.00 2.91 2.85 0.00 0.00 7.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.87 3.68 0.00 1.82 1.84 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.38 7.81 29 G 8.22 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.17 4.18 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.86 0.00 0.00 31 D 7.94 4.43 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.05 5.02 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.49 4.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.97 0.00 0.00 35 L 8.67 4.85 0.00 1.54 1.46 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.67 4.38 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.09 0.00 0.00 37 G 8.58 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.60 4.68 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.30 0.95 0.00 0.00 39 K 8.33 3.80 0.00 1.85 1.58 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.48 7.81 40 T 8.41 4.42 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 41 R 8.01 4.35 0.00 2.04 2.03 0.00 3.27 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 42 G 7.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.45 3.65 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.62 0.00 0.00 44 Y 7.81 3.97 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.21 4.02 0.00 1.90 1.72 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.28 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.18 3.82 0.00 2.00 1.98 0.00 2.98 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 48 R 7.93 3.92 0.00 2.05 1.98 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 49 L 8.12 3.91 0.00 1.77 1.63 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.18 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.09 3.89 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 52 R 8.09 3.91 0.00 1.92 1.92 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 113 V 7.55 3.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.97 0.00 0.00 114 R 8.08 3.83 0.00 1.93 2.06 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 115 A 7.84 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.47 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.62 4.05 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 118 D 8.17 4.33 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.67 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.56 3.75 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 146 A 8.29 4.45 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.75 4.35 0.00 2.40 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.02 4.93 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.51 4.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 150 G 9.20 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.31 4.66 0.00 1.82 1.61 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.42 7.81 152 N 8.82 4.98 0.00 2.63 2.75 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.74 4.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 154 P 0.00 4.57 0.00 2.08 1.99 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 155 T 8.13 4.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 156 S 8.63 4.73 0.00 4.06 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.57 3.80 0.00 1.74 2.02 0.00 3.31 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 158 S 7.93 4.34 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.70 4.36 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 160 L 8.76 4.66 0.00 1.65 1.45 0.88 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.15 4.70 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.86 0.00 0.00 162 V 8.75 4.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.70 0.00 0.00 163 V 8.44 4.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 164 E 9.41 4.98 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 165 L 9.05 5.16 0.00 1.45 1.65 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 166 S 9.64 3.85 0.00 3.89 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 7.93 3.83 0.00 1.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 168 V 7.40 4.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.68 0.00 0.00 169 D 8.89 4.74 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 9.43 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 7.05 4.56 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.89 0.00 0.00 172 D 8.29 5.02 0.00 2.56 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 8.66 4.71 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 174 V 8.58 5.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 175 S 9.05 5.15 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 8.80 4.86 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 0.90 0.00 0.00 177 H 9.39 5.27 0.00 3.00 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.87 4.70 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 179 K 8.69 4.19 0.00 1.79 1.70 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.