NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.9141 8.3393 109.7365 45.7402 0.0000 172.6319 13 E 4.5492 7.7731 115.4005 53.4253 32.7134 173.8251 14 L 4.6353 8.2859 121.7517 53.0611 46.1995 176.8564 15 A 4.1879 8.3841 127.7393 52.1673 19.1981 177.9104 16 V 3.8442 8.2762 120.2776 64.7917 32.1639 176.5443 17 C 5.1894 7.7673 115.9318 54.9981 41.9799 173.5070 18 D 4.7324 8.8153 123.7176 53.8852 41.6214 175.5249 19 A 5.2431 8.5916 124.6100 50.3447 22.4826 175.5984 20 V 4.4501 8.7301 111.7542 59.7376 35.5728 175.2607 21 S 4.8078 8.3801 120.4441 56.5665 65.8633 173.7581 22 G 3.5805 6.7129 108.2998 45.9366 0.0000 171.4708 23 W 5.0719 8.6186 119.6985 55.9011 30.3670 176.5829 24 V 4.5096 9.0090 124.8057 61.7029 32.7197 175.8034 25 T 4.6655 8.9319 117.4452 61.5922 69.6348 174.3571 26 D 4.7530 7.9665 120.5351 53.1283 39.6706 176.4364 27 R 4.1539 8.0864 120.3925 56.7295 29.1304 175.8176 28 R 4.6243 8.4221 124.5741 56.9833 31.6697 175.9353 29 T 5.1171 7.4551 107.2254 60.8060 72.1444 172.2398 30 A 4.3836 8.4947 121.4996 51.4199 23.4876 175.3732 31 V 4.6098 8.0381 119.3870 61.9493 33.6583 175.7459 32 D 5.4869 8.6916 126.7545 50.8610 41.8050 176.4244 33 L 3.9138 8.8492 120.0001 58.8282 41.7040 178.2603 34 R 4.1828 8.1285 113.4589 56.2833 29.9675 177.4696 35 G 3.9571 8.3632 106.7689 45.5786 0.0000 174.3598 36 R 4.2603 7.8907 119.1016 55.5122 31.0774 174.6298 37 E 4.9642 8.4750 119.6645 54.6429 31.3617 175.1555 38 V 4.6190 8.5315 118.6972 59.5581 35.9736 174.2746 39 E 4.8309 8.9614 122.1083 55.3840 31.4353 175.5738 40 V 4.4719 8.0842 124.0767 60.9169 32.6451 175.7790 41 L 4.1782 8.1745 128.9207 54.8701 42.3138 177.6696 42 G 4.0101 8.5784 108.4255 48.1070 0.0000 173.1992 43 E 5.2192 7.9739 116.5561 54.5315 33.0913 175.0303 44 V 4.3071 9.0106 122.6042 60.5237 33.6861 173.0791 45 P 4.7685 0.0000 0.0000 62.6258 30.6703 175.7475 46 A 4.1889 8.4077 128.6477 51.3570 19.3629 177.0419 47 A 4.1257 8.4054 124.6791 52.8321 19.8387 174.4829 48 G 4.1214 8.1642 112.6119 44.6199 0.0000 174.9883 49 G 3.5655 8.5369 115.5757 46.2858 0.0000 173.5861 50 S 4.4671 8.1958 114.8580 56.5316 64.6808 172.7978 51 P 4.4962 0.0000 0.0000 62.5008 32.2211 175.5078 52 L 4.3780 8.7648 125.1292 54.5694 43.4719 175.8530 53 R 4.5714 8.5985 125.4422 55.8857 31.1723 175.5716 54 Q 4.2974 9.0285 126.6860 54.9257 29.6704 173.9188 55 Y 4.5548 7.1741 123.3529 55.8756 41.8466 173.0274 56 F 5.1959 9.0918 117.2101 55.8076 44.1500 173.7417 57 F 4.9058 9.0765 121.2131 56.6680 41.3556 173.8087 58 E 4.8725 8.2481 124.7286 54.7557 34.0463 174.7479 59 T 4.9064 8.6433 118.4999 62.0589 71.0782 173.7516 60 R 4.7378 8.6635 124.6862 54.4274 34.7395 173.5395 61 C 5.0402 8.4283 116.1797 56.3130 41.7215 174.8705 62 K 3.9753 9.2977 123.1393 57.4793 32.2781 177.4568 63 A 4.1340 7.1414 121.3289 52.5574 19.4262 177.0707 *68 A 4.2082 8.2728 117.0956 52.2131 19.8180 176.8904 69 G 4.2377 7.8778 106.7470 44.3043 0.0000 173.2397 70 G 3.9006 8.7143 108.1718 44.9375 0.0000 171.9590 71 P 4.2921 0.0000 0.0000 63.3699 31.9730 175.0308 72 G 3.6699 7.4651 108.7166 44.6171 0.0000 178.2536 73 A 3.1427 8.8102 116.0192 50.0075 22.3109 181.0117 74 G 3.6267 10.0513 109.0370 45.0198 0.0000 174.4265 75 G 3.8361 8.8107 107.6329 46.4119 0.0000 174.1444 76 G 3.7893 8.1577 110.4028 44.1026 0.0000 174.3695 77 G 4.1003 7.9429 116.3317 43.7842 0.0000 171.7280 78 C 4.5462 8.3284 116.1925 55.8500 41.0781 173.4422 79 R 4.1574 8.3586 124.1549 57.7124 29.9648 177.1931 80 G 3.9841 8.9925 113.6374 45.2520 0.0000 173.5876 81 V 3.8735 6.9736 112.3672 60.2021 32.4214 175.7426 82 D 4.4954 8.6682 123.4537 54.4697 39.6980 176.6544 83 R 4.1581 8.4822 125.5200 58.8649 30.3995 178.7896 84 R 4.1121 7.9026 116.4146 58.5875 30.6249 176.9405 85 H 4.7130 8.1815 113.7109 55.8254 31.1662 174.8948 86 W 5.5579 8.5537 116.3904 54.7989 33.0178 175.2242 87 V 4.4861 8.5792 123.4542 61.5445 32.3049 174.9015 88 S 5.2892 8.2974 121.2787 56.8188 67.3829 172.2288 89 E 4.8436 8.5400 117.1087 55.4819 33.4563 173.6309 90 C 5.0026 8.9379 125.1514 56.7757 38.9646 172.7946 91 K 4.8066 9.1980 124.3491 54.3842 35.8746 174.8563 92 A 4.8537 8.4859 125.0377 51.2063 20.0232 176.5764 93 K 4.5765 8.9561 121.2403 54.7628 35.2116 175.2402 94 Q 5.5973 8.3501 123.6296 53.9583 31.7554 174.7606 95 S 4.6114 7.9979 114.7293 57.4534 67.8030 172.5942 96 Y 5.9096 8.4653 119.2669 56.4889 39.3321 175.4844 97 V 5.0457 8.5862 115.0277 59.7339 36.6305 174.2167 98 R 4.5167 8.6406 122.5556 55.5047 31.1099 175.3611 99 A 4.8672 8.8107 126.4131 50.2681 23.4227 174.8188 100 L 3.6244 8.4375 124.0024 54.6369 43.1135 176.1056 101 T 4.9024 9.0690 115.8028 60.1938 73.3231 172.1176 102 A 5.1479 8.8299 123.1483 50.1885 22.0959 176.5619 103 D 4.8256 8.6724 122.1875 51.7504 41.5099 176.8835 104 A 3.9705 8.5795 121.0151 55.3662 18.1578 178.3886 105 Q 4.3260 8.1615 111.7656 55.8423 29.1023 176.1479 106 G 3.9790 8.2302 107.8927 45.0480 0.0000 174.3625 107 R 3.9208 7.8396 118.9960 56.9251 30.8022 176.5580 108 V 4.3643 8.5286 124.2526 61.6813 33.0374 175.2843 109 G 4.0261 7.8044 113.1514 46.1817 0.0000 170.8520 110 W 4.9061 8.4636 120.0651 55.6864 29.9132 176.6158 111 R 4.7297 8.7819 122.8708 54.0804 34.7769 174.1421 112 W 5.1692 8.6396 120.5763 56.0736 30.7030 175.6920 113 I 5.1635 9.2460 117.8272 59.1620 40.9513 174.5437 114 R 4.6363 8.6089 123.6245 55.4256 30.6701 176.0141 115 I 4.4612 8.2912 117.3844 58.8063 41.4395 174.2896 116 D 5.0465 8.6603 123.5365 53.9654 41.6628 176.9409 117 T 4.6961 8.3000 112.8261 60.6656 69.9428 173.2979 118 A 4.3158 7.1607 122.1187 52.0546 22.5497 176.2125 119 C 5.2582 8.9057 118.9919 55.1508 44.0702 173.4665 120 V 4.6174 8.7816 119.9540 59.4064 35.0464 174.2150 121 C 4.7614 8.6179 123.0248 56.5645 44.9822 172.6628 122 T 4.6754 8.9974 122.9785 61.7121 71.1485 173.0672 123 L 4.6552 8.2665 125.8799 53.7095 42.2280 176.3799 124 L 4.4510 9.5356 126.2322 57.3381 42.4747 176.9594 125 S 4.5370 8.2958 110.8071 58.9396 66.4181 174.9916 126 R 3.8097 8.4498 118.1570 57.6240 27.7689 175.5665 127 T 2.6033 7.3382 107.7748 62.8599 71.0795 173.9967 128 G 3.4021 7.8814 108.5868 46.7780 0.0000 175.0469 129 R 3.6079 7.9334 117.6668 56.2413 27.7559 175.9346 130 A 4.1058 7.3733 123.9332 52.3643 18.5321 177.6861 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 12 G 8.34 3.91 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 0.00 0.00 0.00 13 E 7.77 4.55 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 14 L 8.29 4.64 0.00 1.54 1.50 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.38 4.19 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 16 V 8.28 3.84 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 1.08 0.00 0.00 0.90 0.00 0.00 17 C 7.77 5.19 0.00 2.93 2.90 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 18 D 8.82 4.73 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.59 5.24 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.73 4.45 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 0.68 0.00 0.00 0.89 0.00 0.00 21 S 8.38 4.81 0.00 3.70 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 6.71 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.62 5.07 0.00 3.28 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 24 V 9.01 4.51 2.29 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 1.20 0.00 0.00 0.93 0.00 0.00 25 T 8.93 4.67 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 1.10 0.00 0.00 26 D 7.97 4.75 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.09 4.15 0.00 1.90 2.21 0.00 3.21 0.00 0.00 2.59 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 28 R 8.42 4.62 0.00 1.82 1.95 0.00 3.19 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 29 T 7.46 5.12 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 1.21 0.00 0.00 30 A 8.49 4.38 1.14 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 31 V 8.04 4.61 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 1.10 0.00 0.00 0.92 0.00 0.00 32 D 8.69 5.49 0.00 3.15 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 33 L 8.85 3.91 0.00 1.68 1.79 0.71 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.13 4.18 0.00 1.96 1.97 0.00 3.34 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 35 G 8.36 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 36 R 7.89 4.26 0.00 2.09 1.89 0.00 3.11 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 37 E 8.48 4.96 0.00 1.90 1.82 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 2.19 2.29 0.00 38 V 8.53 4.62 2.21 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 0.67 0.00 0.00 0.97 0.00 0.00 39 E 8.96 4.83 0.00 1.89 1.84 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 2.27 2.24 0.00 40 V 8.08 4.47 2.32 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 1.00 0.00 0.00 0.94 0.00 0.00 41 L 8.17 4.18 0.00 1.61 1.52 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.58 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.97 5.22 0.00 1.99 1.87 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 2.15 2.27 0.00 44 V 9.01 4.31 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 1.36 0.00 0.00 0.91 0.00 0.00 45 P 0.00 4.77 0.00 2.14 2.11 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 46 A 8.41 4.19 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 47 A 8.41 4.13 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 48 G 8.16 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.54 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.20 4.47 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 1.94 1.99 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 52 L 8.76 4.38 0.00 1.78 1.73 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.60 4.57 0.00 1.98 1.97 0.00 3.41 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 54 Q 9.03 4.30 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 55 Y 7.17 4.55 0.00 3.25 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.09 5.20 0.00 3.05 3.11 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 57 F 9.08 4.91 0.00 2.49 2.78 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 0.00 0.00 0.00 58 E 8.25 4.87 0.00 1.78 1.87 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 2.21 2.29 0.00 59 T 8.64 4.91 4.30 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 1.17 0.00 0.00 60 R 8.66 4.74 0.00 1.65 1.77 0.00 3.04 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 61 C 8.43 5.04 0.00 2.85 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 62 K 9.30 3.98 0.00 1.82 1.80 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.38 7.81 63 A 7.14 4.13 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 *68 A 8.27 4.21 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 69 G 7.88 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 70 G 8.71 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 0.00 0.00 0.00 71 P 0.00 4.29 0.00 2.19 2.07 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 72 G 7.47 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.81 3.14 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 74 G 10.05 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 3.84 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 0.00 0.00 0.00 76 G 8.16 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.94 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 C 8.33 4.55 0.00 2.97 3.10 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 0.00 0.00 0.00 0.00 79 R 8.36 4.16 0.00 1.76 1.95 0.00 3.45 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 80 G 8.99 3.98 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 0.00 0.00 0.00 81 V 6.97 3.87 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 0.58 0.00 0.00 0.99 0.00 0.00 82 D 8.67 4.50 0.00 2.74 2.73 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 83 R 8.48 4.16 0.00 1.86 2.03 0.00 3.27 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 84 R 7.90 4.11 0.00 1.73 1.99 0.00 3.12 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 85 H 8.18 4.71 0.00 2.93 2.72 0.00 5.56 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.55 5.56 0.00 3.09 3.01 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 0.00 0.00 0.00 0.00 87 V 8.58 4.49 2.27 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 1.03 0.00 0.00 0.98 0.00 0.00 88 S 8.30 5.29 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.54 4.84 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 90 C 8.94 5.00 0.00 2.88 2.99 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 91 K 9.20 4.81 0.00 1.72 1.55 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.34 7.81 92 A 8.49 4.85 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 93 K 8.96 4.58 0.00 1.77 1.59 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 94 Q 8.35 5.60 0.00 1.75 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.55 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 95 S 8.00 4.61 0.00 3.72 3.71 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 96 Y 8.47 5.91 0.00 2.87 3.18 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 97 V 8.59 5.05 2.33 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 0.96 0.00 0.00 1.11 0.00 0.00 98 R 8.64 4.52 0.00 0.67 1.59 0.00 2.96 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 99 A 8.81 4.87 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 0.00 100 L 8.44 3.62 0.00 0.27 0.91 0.26 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 101 T 9.07 4.90 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 102 A 8.83 5.15 1.19 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 0.00 103 D 8.67 4.83 0.00 2.86 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 0.00 104 A 8.58 3.97 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 0.00 105 Q 8.16 4.33 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 106 G 8.23 3.98 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 0.00 0.00 0.00 107 R 7.84 3.92 0.00 1.95 1.91 0.00 3.12 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 108 V 8.53 4.36 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 0.65 0.00 0.00 0.94 0.00 0.00 109 G 7.80 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 110 W 8.46 4.91 0.00 3.12 3.07 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 0.00 111 R 8.78 4.73 0.00 1.69 1.80 0.00 3.13 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 112 W 8.64 5.17 0.00 3.26 3.11 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 0.00 113 I 9.25 5.16 1.87 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 1.43 0.91 0.95 0.00 0.00 114 R 8.61 4.64 0.00 1.62 1.70 0.00 3.01 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.61 0.00 115 I 8.29 4.46 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.40 0.00 0.00 116 D 8.66 5.05 0.00 2.59 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.70 4.26 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 1.24 0.00 0.00 118 A 7.16 4.32 1.19 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 0.00 119 C 8.91 5.26 0.00 2.95 2.94 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 0.00 0.00 0.00 0.00 120 V 8.78 4.62 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 0.62 0.00 0.00 0.94 0.00 0.00 121 C 8.62 4.76 0.00 2.93 2.90 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 0.00 122 T 9.00 4.68 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 123 L 8.27 4.66 0.00 1.20 1.11 -0.40 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.54 4.45 0.00 1.67 1.77 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.30 4.54 0.00 3.88 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 0.00 126 R 8.45 3.81 0.00 1.91 1.87 0.00 3.28 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 127 T 7.34 2.60 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 128 G 7.88 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.93 3.61 0.00 1.85 2.08 0.00 3.29 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 130 A 7.37 4.11 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 * Residues marked with a * may have inaccurate shift predictions.