NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4510 8.1749 115.2402 62.2805 68.8777 172.8999 2 T 4.5813 8.9002 123.9839 62.2333 73.4559 171.3020 3 I 5.0990 8.9696 125.9081 60.1245 41.9157 174.0993 4 V 4.6469 9.1431 118.4585 59.9546 36.0374 174.2309 5 S 5.5136 8.2998 114.3503 58.0487 65.3303 172.9450 6 V 4.5500 8.1344 122.9607 61.8794 35.4430 173.2331 7 R 4.9788 8.3870 123.8482 55.0387 32.6645 174.4301 8 R 4.6296 8.7045 125.6611 55.5225 34.5097 174.8837 9 N 3.9596 8.5349 120.5311 54.9183 37.8152 176.3699 10 G 4.0671 8.5860 110.9066 45.7377 0.0000 173.1569 11 H 4.9626 8.2253 115.8074 54.0643 33.6340 174.2491 12 V 4.9804 8.5440 122.7606 59.8914 33.8589 175.1374 13 V 4.6217 8.9168 122.7877 61.2370 35.4519 173.9832 14 I 5.1973 8.3315 124.9052 59.5589 40.6953 174.7437 15 A 4.6804 9.2526 127.9984 50.4820 22.5697 175.2182 16 G 4.7436 8.5394 108.3008 44.1985 0.0000 172.4577 17 D 4.9361 8.3671 119.7106 52.8370 41.9328 177.1340 18 G 4.2449 8.1995 106.4898 46.2881 0.0000 172.0590 19 Q 4.5284 8.6629 122.9634 55.3253 29.6999 176.1853 20 A 4.5238 9.1545 131.0388 50.9732 17.9794 175.6362 21 T 4.4024 7.9099 114.6343 61.0591 69.0499 174.2693 22 L 4.2937 8.7314 128.6913 54.6288 44.3903 173.7995 23 G 4.1860 8.8278 117.0794 45.4160 0.0000 173.3923 24 N 4.7258 7.6712 113.6836 52.2927 38.6978 174.5011 25 T 4.5026 8.3576 113.6219 60.7637 70.3100 172.8924 26 V 4.3242 8.3938 128.6685 62.4885 31.8319 175.4344 27 M 4.2425 8.9824 126.3116 57.2031 32.0269 176.0534 28 K 4.5701 7.6497 118.2146 55.5996 35.8608 175.4762 29 G 4.8755 7.9759 109.3148 43.3945 0.0000 173.1019 30 N 4.6080 7.4120 106.7992 52.2278 38.5697 175.6154 31 V 3.7473 7.7006 112.8164 62.0789 32.2852 176.0094 32 K 4.4624 8.5740 124.1664 55.6644 31.4051 176.7865 33 K 3.7468 8.4469 124.2416 56.9592 32.7674 176.8602 34 V 5.0534 7.4065 118.3612 61.3590 33.8908 174.6614 35 R 4.7561 8.6357 122.1908 55.6956 33.1580 173.2177 36 R 5.0366 8.4501 114.6117 54.6295 31.9487 174.8720 37 L 4.5755 8.6758 120.7260 53.9882 45.6679 175.7538 38 Y 3.6670 9.7701 114.7295 61.3706 37.0750 172.4213 38A N 4.2106 8.7556 123.9783 54.9003 36.4898 174.0063 39 D 4.4588 7.8412 109.5182 55.6047 39.7078 175.5610 40 K 4.3830 7.9557 120.5437 56.5171 34.4979 176.0253 41 V 4.6015 7.5663 117.7651 61.0499 34.6173 175.0085 42 I 4.7247 8.4521 127.6879 60.2621 40.3453 173.9836 43 A 5.0376 8.5210 123.6281 51.7879 23.2117 175.5238 44 G 4.7535 9.5399 106.1036 44.8032 0.0000 172.0439 45 F 5.7477 8.7091 117.3425 54.6336 41.3948 174.1075 46 A 4.4620 9.3680 121.3969 49.4900 21.1739 172.9248 47 G 4.1405 8.7546 110.4901 44.5708 0.0000 174.9707 48 G 4.0596 8.6416 115.4631 45.3994 0.0000 174.9427 49 T 3.0168 7.9235 122.3526 66.2914 68.7516 174.6277 50 A 3.7282 8.5030 121.6636 54.3972 17.9781 178.8497 51 D 4.4028 8.1743 115.5781 56.4146 41.4345 179.0480 52 A 3.3671 7.2417 120.6830 55.1973 18.0781 179.3748 53 F 4.1049 8.4070 115.8669 61.1721 38.9590 178.0785 54 T 3.8518 8.1206 115.1962 66.6726 68.1916 176.5458 55 L 3.7074 7.9315 120.8646 57.7759 41.5960 179.3689 56 F 4.6817 8.4655 118.1443 61.2151 38.8461 177.3034 57 E 3.9640 8.5967 118.1835 59.3335 29.1981 178.8311 58 L 3.9232 8.3001 120.0831 58.5891 42.1547 179.2553 59 F 4.1709 9.0356 121.0408 61.3120 39.4310 176.7816 60 E 3.7861 8.8326 119.0468 58.5567 29.2985 178.8324 61 R 4.1313 8.0780 120.9454 58.9665 30.1029 178.5780 62 K 3.9653 8.0369 116.8946 58.9311 32.1400 178.6862 63 L 3.9446 7.5590 121.7588 57.7238 41.9665 178.3757 64 E 3.9997 8.3943 116.8863 59.6941 29.5780 178.4656 65 M 4.2996 8.0010 115.4307 56.9204 31.9924 176.3175 66 H 4.7585 8.4266 113.9153 56.2797 31.1949 174.4120 67 Q 3.6716 8.3417 122.7701 57.3201 28.7591 174.2750 *74 G 3.6986 8.3197 103.0792 43.3456 0.0000 173.8797 75 H 4.5581 7.9258 121.9478 54.2055 27.9161 174.7944 76 L 3.8205 8.1321 125.6510 58.3709 42.3483 177.8719 77 V 3.4149 7.9426 115.9974 66.5531 31.5572 177.7884 78 K 3.7335 7.6769 117.7200 59.4946 32.1871 178.4246 79 A 3.9277 8.0433 120.8350 55.3708 18.1239 179.3396 80 A 4.3860 8.7648 119.2407 55.5344 18.5174 179.8167 81 V 3.5701 8.1589 117.0190 66.3113 31.5981 177.6302 82 E 3.9617 8.8242 119.1999 59.3187 29.3608 178.3615 83 L 4.0134 8.4258 120.1232 58.3781 42.1944 178.5429 84 A 4.3926 8.6804 121.0335 56.2130 17.9938 178.4300 85 K 3.9721 8.2796 117.2571 58.8004 31.7982 177.8270 86 D 4.6277 8.4196 117.9099 57.8730 41.2462 178.8856 87 W 4.5098 8.8189 128.8796 60.5798 30.4405 177.5287 88 R 4.4854 8.4070 117.3929 55.5661 30.3198 176.7575 89 T 4.2055 8.2352 112.5431 62.6913 69.8448 175.9239 90 D 4.2351 6.0500 124.8623 54.8598 40.5403 178.2439 *92 R 4.2400 8.5988 123.0627 56.6142 31.7753 176.3773 93 M 4.1240 7.9567 116.2995 59.0387 32.2203 177.9760 93A L 4.0817 8.7005 118.9791 57.6903 41.6844 179.2193 93B R 4.1085 7.7402 116.9615 58.2017 29.9550 177.8238 94 K 4.3226 7.9262 117.2983 57.9987 32.8783 177.3992 95 L 4.1958 7.5022 119.1290 54.6025 41.9799 176.1068 96 E 4.8524 8.5032 123.4520 54.2707 32.3339 174.7498 97 A 4.6453 8.0921 123.1682 52.5123 23.9392 174.3252 98 L 5.2184 7.9715 113.4988 53.6248 46.5780 175.6185 99 L 5.4366 9.4651 123.3748 52.9294 44.9798 175.1021 100 A 4.9547 9.4784 126.3158 50.3444 21.0270 175.7856 101 V 4.9289 8.4592 121.5815 61.5316 35.6339 174.0445 102 A 5.5982 8.4973 126.3205 52.2874 23.3627 174.9223 103 D 4.6780 8.0408 115.4419 53.7585 42.4742 175.3667 104 E 4.0257 9.1807 117.6635 60.3390 29.2362 178.2605 105 T 3.4554 7.2935 112.3884 67.1844 69.1143 176.6998 *109 A 4.6269 7.5797 126.4823 52.4430 21.3194 175.5753 110 S 5.2905 8.4287 109.0375 57.2584 67.2295 174.0283 111 L 4.7207 9.1179 121.5373 54.9514 44.0226 174.2250 112 I 4.5559 8.8552 124.6304 61.2769 38.7761 175.0203 113 I 5.1982 9.0078 126.6665 59.9212 40.6020 174.7585 114 T 4.6201 8.6242 117.5462 59.6388 70.6582 175.0835 115 G 2.0000 7.0307 109.8494 48.3332 0.0000 174.4812 116 N 4.0226 7.7750 118.3132 56.0814 38.7755 174.3177 117 G 4.0418 7.2483 106.2133 45.5654 0.0000 171.3911 118 D 4.3063 7.8693 119.3980 53.5160 45.3305 174.6900 119 V 4.8063 8.6655 124.2067 61.0360 33.7962 174.9212 120 V 4.4758 8.9956 127.2859 61.2798 35.2845 173.3990 121 Q 4.9618 8.6662 129.0946 53.7620 29.9860 173.4777 122 P 4.5141 0.0000 0.0000 62.3151 32.2229 176.1248 123 E 4.1351 8.5286 116.6130 56.8271 29.3860 177.1452 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 T 8.17 4.45 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 2 T 8.90 4.58 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 3 I 8.97 5.10 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.36 0.96 0.00 0.00 4 V 9.14 4.65 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 0.73 0.00 0.00 0.97 0.00 0.00 5 S 8.30 5.51 0.00 3.82 3.68 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 0.00 0.00 0.00 0.00 6 V 8.13 4.55 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 0.94 0.00 0.00 0.93 0.00 0.00 7 R 8.39 4.98 0.00 1.80 1.76 0.00 3.23 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 8 R 8.70 4.63 0.00 1.84 1.78 0.00 3.50 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 9 N 8.53 3.96 0.00 2.92 2.19 0.00 0.00 7.00 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.59 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.23 4.96 0.00 3.05 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.54 4.98 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 0.71 0.00 0.00 1.00 0.00 0.00 13 V 8.92 4.62 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 0.97 0.00 0.00 0.94 0.00 0.00 14 I 8.33 5.20 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.97 0.00 0.00 15 A 9.25 4.68 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 0.00 0.00 0.00 0.00 0.00 16 G 8.54 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.37 4.94 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.66 4.53 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 20 A 9.15 4.52 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.40 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 L 8.73 4.29 0.00 1.67 1.45 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.83 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.67 4.73 0.00 2.79 2.83 0.00 0.00 5.66 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.36 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 26 V 8.39 4.32 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 0.93 0.00 0.00 0.93 0.00 0.00 27 M 8.98 4.24 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 28 K 7.65 4.57 0.00 1.76 1.64 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 G 7.98 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.41 4.61 0.00 2.77 2.84 0.00 0.00 6.39 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.70 3.75 2.16 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 0.85 0.00 0.00 0.95 0.00 0.00 32 K 8.57 4.46 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.58 7.81 33 K 8.45 3.75 0.00 1.59 1.36 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.05 1.28 7.81 34 V 7.41 5.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 35 R 8.64 4.76 0.00 1.92 2.14 0.00 2.87 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 36 R 8.45 5.04 0.00 1.76 1.88 0.00 2.97 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 37 L 8.68 4.58 0.00 1.57 1.80 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.77 3.67 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38A N 8.76 4.21 0.00 2.88 2.80 0.00 0.00 7.23 8.04 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 39 D 7.84 4.46 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.96 4.38 0.00 1.83 1.66 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.30 7.81 41 V 7.57 4.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.83 0.00 0.00 42 I 8.45 4.72 1.86 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 1.15 0.68 0.97 0.00 0.00 43 A 8.52 5.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.54 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.71 5.75 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.37 4.46 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.75 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.64 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.92 3.02 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 50 A 8.50 3.73 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.40 0.00 2.60 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 52 A 7.24 3.37 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.41 4.10 0.00 3.15 3.08 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 0.00 0.00 0.00 0.00 54 T 8.12 3.85 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 55 L 7.93 3.71 0.00 1.38 1.13 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.47 4.68 0.00 2.91 2.96 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 57 E 8.60 3.96 0.00 2.23 1.96 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 2.29 2.45 0.00 58 L 8.30 3.92 0.00 1.79 1.81 0.93 0.99 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 59 F 9.04 4.17 0.00 3.21 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.83 3.79 0.00 2.25 2.04 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 2.24 2.35 0.00 61 R 8.08 4.13 0.00 1.89 2.06 0.00 3.22 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 62 K 8.04 3.97 0.00 1.80 1.89 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.66 7.81 63 L 7.56 3.94 0.00 1.60 1.78 0.62 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.39 4.00 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.18 0.00 65 M 8.00 4.30 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 66 H 8.43 4.76 0.00 3.23 3.20 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.34 3.67 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 *74 G 8.32 3.70 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 0.00 0.00 0.00 75 H 7.93 4.56 0.00 3.14 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.13 3.82 0.00 1.98 1.69 1.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.94 3.41 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.03 0.00 0.00 78 K 7.68 3.73 0.00 1.62 1.56 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 1.35 7.81 79 A 8.04 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.76 4.39 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.16 3.57 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 1.01 0.00 0.00 0.99 0.00 0.00 82 E 8.82 3.96 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 83 L 8.43 4.01 0.00 2.22 2.19 1.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.68 4.39 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.28 3.97 0.00 1.84 2.03 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.53 7.81 86 D 8.42 4.63 0.00 3.01 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 87 W 8.82 4.51 0.00 3.54 3.26 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 0.00 0.00 0.00 0.00 88 R 8.41 4.49 0.00 1.84 1.86 0.00 3.37 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 89 T 8.24 4.21 4.42 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 0.00 0.00 1.25 0.00 0.00 90 D 6.05 4.24 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 R 8.60 4.24 0.00 1.83 2.05 0.00 3.43 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 93 M 7.96 4.12 0.00 2.42 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 93A L 8.70 4.08 0.00 1.84 2.11 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 93B R 7.74 4.11 0.00 1.86 2.16 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 94 K 7.93 4.32 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.65 7.81 95 L 7.50 4.20 0.00 1.94 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.50 4.85 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 97 A 8.09 4.65 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.97 5.22 0.00 1.68 1.58 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.47 5.44 0.00 1.65 1.63 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 A 9.48 4.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.46 4.93 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 1.00 0.00 0.00 0.77 0.00 0.00 102 A 8.50 5.60 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.04 4.68 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.18 4.03 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 105 T 7.29 3.46 4.51 0.00 0.00 0.00 0.00 0.00 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 *109 A 7.58 4.63 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 0.00 110 S 8.43 5.29 0.00 3.72 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.12 4.72 0.00 1.70 1.84 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.86 4.56 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.93 0.00 0.00 113 I 9.01 5.20 2.11 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.13 1.21 0.00 0.00 114 T 8.62 4.62 4.07 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 0.00 0.00 0.00 1.16 0.00 0.00 115 G 7.03 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 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.77 4.02 0.00 2.49 2.70 0.00 0.00 7.10 7.95 0.00 0.00 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 G 7.25 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 0.00 0.00 0.00 118 D 7.87 4.31 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.67 4.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.99 0.00 0.00 120 V 9.00 4.48 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 0.96 0.00 0.00 0.93 0.00 0.00 121 Q 8.67 4.96 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 122 P 0.00 4.51 0.00 2.22 2.09 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 123 E 8.53 4.14 0.00 1.98 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 0.00 2.31 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.