NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7229 8.0932 114.7902 57.8119 64.5524 174.2026 2 L 4.0326 8.0942 119.7844 57.1055 40.9719 179.7791 *3 F 4.0999 8.7209 122.3449 61.6540 38.1552 182.3937 4 E 4.1573 7.8710 118.7280 59.0846 29.3668 178.8265 5 L 4.0579 7.7287 120.1149 58.3296 42.0743 179.0942 6 G 3.7316 8.1012 105.4873 47.7675 0.0000 175.4690 7 K 3.8908 7.7872 121.3909 59.6798 32.3358 178.7267 8 M 3.8775 8.3829 119.3099 58.6096 31.7762 178.9474 9 I 3.6705 7.8294 119.8246 63.9711 36.7485 178.2167 10 L 4.0438 7.6302 121.1027 58.3141 41.7522 178.8978 11 Q 3.7317 7.5967 116.4555 58.8947 28.5725 178.7455 12 E 4.2739 7.8943 118.2633 59.5556 29.9788 178.8018 13 T 4.2105 8.3325 109.8772 63.6438 69.1698 176.4761 *15 G 4.0951 7.6710 106.8788 44.4581 0.0000 172.3638 16 K 4.3608 7.6351 119.0655 54.5961 33.9943 176.3574 17 N 4.4594 8.3295 119.3980 52.7524 39.7846 173.6521 18 P 4.4031 0.0000 0.0000 65.9221 31.5851 178.4501 19 A 3.9755 8.2130 119.1045 55.1804 18.1910 179.6717 20 K 3.8804 8.2028 116.2507 59.2223 32.4109 178.1752 21 S 4.6170 7.7988 114.8457 58.2529 63.4419 174.4512 22 Y 4.9911 7.7005 116.0045 57.3829 39.6104 176.5428 23 G 3.7783 8.3340 111.0350 47.9080 0.0000 174.0181 24 A 4.9093 7.3469 121.6888 51.0747 20.1900 172.6830 25 Y 5.0061 9.2270 121.9458 55.9739 42.5373 176.0207 26 G 3.8957 8.3706 116.1078 46.5286 0.0000 172.6754 27 C 4.6545 9.1540 115.4834 57.4297 41.3836 174.0276 28 N 4.6425 8.7984 115.7249 53.9249 40.4343 174.0601 29 C 4.6449 8.4900 116.0534 58.8520 39.8358 172.8737 30 G 4.2651 7.4522 115.4648 44.9595 0.0000 172.1144 31 V 4.6003 8.1194 116.3115 61.4460 32.8812 175.7306 32 L 4.7121 8.0778 117.4346 54.3348 42.4440 177.9411 33 G 3.8836 7.9627 109.0355 45.4330 0.0000 173.1674 34 R 4.7420 8.1276 118.1093 55.2342 32.6562 175.2028 35 G 3.9529 8.4125 106.3317 45.8074 0.0000 173.1817 36 G 3.8587 8.4205 108.5994 44.8548 0.0000 172.5240 37 P 5.1673 0.0000 0.0000 62.7093 31.4372 176.4738 38 K 3.9435 8.7448 122.1771 57.9926 32.6001 176.3897 39 D 4.9827 7.4392 116.4160 51.7589 45.8674 176.1409 40 A 4.0849 8.3827 120.6350 55.4666 18.3783 179.9163 41 T 3.8162 7.8462 114.0061 66.8663 68.6375 176.2773 42 D 4.4429 8.0564 119.5494 57.2698 41.3482 177.9774 43 R 3.9558 8.2050 119.7368 59.4592 30.0210 177.7507 44 C 4.2375 8.2484 116.3894 60.4923 38.5782 175.6578 45 C 4.1733 8.0165 117.8356 59.7586 39.9352 175.6474 46 Y 3.9500 8.0566 121.4170 60.6849 38.4874 178.0280 47 V 3.4412 7.8913 119.1341 66.2362 31.7308 177.1988 48 H 3.8679 8.0764 117.7779 59.3397 29.6782 177.2980 49 K 3.6747 7.7496 119.9802 59.5956 31.6248 178.7845 50 C 4.1793 7.6328 115.7305 59.9684 40.0944 174.9180 51 C 4.2148 8.2666 119.6782 59.8120 42.3188 175.0863 52 Y 4.4629 7.6380 117.9380 61.1547 37.3684 178.3535 53 K 3.7881 7.9251 118.7974 59.2084 31.9063 178.6415 *57 K 4.4938 7.6959 114.9440 55.4970 33.8751 175.7679 58 L 4.0619 8.1104 123.3504 55.2177 41.2993 177.1618 *59 T 3.9640 7.9566 117.6347 62.2413 68.9569 172.1710 60 G 4.1500 7.2992 114.9424 42.5979 0.0000 169.9372 61 C 4.5482 7.7823 116.8868 55.0310 42.4721 173.8925 *67 D 4.6925 8.4105 119.5573 53.3020 40.6638 173.6841 68 P 3.8067 0.0000 0.0000 65.4873 31.1076 178.6900 69 K 3.9532 7.9907 119.1387 57.8570 32.7387 178.0325 70 K 4.0949 7.8304 118.3309 58.0941 32.9232 176.4683 71 D 4.4194 8.6753 119.5165 54.4306 41.0076 176.6374 72 R 4.3866 8.5550 122.6427 54.9534 31.4768 174.5214 73 Y 4.9682 7.3739 116.5837 56.2652 40.4675 173.5612 74 S 5.1583 9.6031 115.2294 56.7876 65.3056 172.9071 75 Y 5.1342 8.5852 120.2808 55.5798 41.4645 174.2921 76 S 4.7208 9.7706 116.9320 56.7373 66.5111 173.2217 77 W 5.3920 8.8120 133.0939 55.4869 30.4673 173.0492 78 K 4.3484 8.7216 123.4791 55.1055 33.6732 176.6346 79 D 4.4272 8.9732 124.3880 56.4630 38.6067 173.5093 80 K 2.0000 7.1214 110.8816 56.7375 30.2050 175.8748 81 T 4.5240 6.4965 112.7406 61.8412 73.3909 174.7174 82 I 4.8032 8.7500 127.1527 61.0629 38.0522 175.2908 83 V 4.3721 9.3299 128.4044 61.2101 33.8407 173.9900 84 C 4.6852 9.0941 126.2421 55.7595 40.2807 174.5659 85 G 4.0615 8.0688 116.1514 45.5256 0.0000 173.4245 86 E 4.4963 8.1384 121.8549 55.5465 29.9858 177.5901 *87 N 4.4894 8.7847 121.0632 53.1756 38.2259 170.7369 88 N 4.6859 8.0152 117.3881 52.2575 39.5517 172.6800 *90 P 4.3381 0.0000 0.0000 62.8051 33.8573 178.8774 91 C 4.0933 8.1514 118.0629 59.0557 39.5165 175.9793 92 L 3.9400 8.1253 119.6671 57.9069 41.1444 179.4719 93 K 3.8479 8.2552 119.5160 59.3721 32.1919 178.5219 94 E 3.8651 8.2637 119.7903 58.9334 29.5151 178.6424 95 L 3.9274 8.1677 120.9445 58.3014 42.1421 178.0245 96 C 3.4740 8.0762 118.6795 59.5628 44.4347 175.4661 97 E 3.7818 8.3560 120.3984 59.3159 29.0697 178.7255 98 C 4.3004 8.0049 116.5548 60.0963 39.8692 175.8581 99 D 4.3169 8.1940 120.3842 57.3064 40.4490 178.7495 100 K 3.8482 8.2974 120.1951 59.3605 32.1698 178.5435 101 A 3.9732 8.0853 121.3102 55.2288 18.2180 180.0254 102 V 3.5207 7.6715 116.8975 64.5550 31.5928 178.4831 103 A 3.8105 7.9103 121.4619 55.0084 18.1188 179.7317 104 I 3.8060 7.7144 118.3243 64.5488 36.9597 177.8147 105 C 4.2081 7.8152 118.1472 59.6739 40.1645 175.2729 106 L 3.9470 8.0086 120.8006 57.6629 41.0098 179.4147 107 R 3.8672 7.8220 118.4803 59.5917 29.9016 178.2614 108 E 4.2343 8.3236 116.2067 58.0532 29.4700 177.1691 109 N 5.1359 7.8645 116.7460 52.8757 40.0206 176.5249 110 L 4.2015 7.9822 121.5755 57.3243 41.9303 179.9375 111 G 3.7346 8.2656 107.2347 47.8559 0.0000 174.1760 112 T 4.6168 7.5022 109.0565 61.2581 69.1520 173.4975 113 Y 4.1773 7.9106 123.8059 58.0158 39.4048 173.8694 114 N 5.0354 8.7605 125.0683 51.4409 40.9365 174.9034 115 K 3.9936 8.8522 126.2078 58.9982 32.4442 179.2391 116 K 3.6709 7.9573 117.8947 59.3889 32.1078 177.3654 117 Y 4.3382 7.4695 114.7891 58.4829 38.1308 175.8860 118 R 4.4960 7.4877 119.7488 56.4295 30.6484 174.9900 119 Y 4.8353 7.4948 117.2408 56.6197 41.1303 174.1084 120 H 5.0353 8.9189 114.1764 55.5587 31.1994 173.9213 121 L 4.8866 7.8312 116.6945 52.4364 45.5376 175.6472 122 K 3.7779 8.3959 119.3443 55.7098 31.4647 174.8046 123 P 4.1094 0.0000 0.0000 62.5801 32.3133 177.0406 *125 F 4.3708 8.2044 117.2205 56.8211 38.2095 175.2262 126 C 5.1028 8.1861 123.2259 54.1517 37.8392 174.4374 127 K 4.1750 8.5339 124.8053 56.5670 33.7713 176.3289 *129 K 4.2512 8.3390 123.2057 55.2533 32.9936 173.6528 130 A 4.4285 8.5411 127.4994 50.1079 19.9684 177.0946 131 D 4.5617 8.4113 121.8873 53.3438 41.6040 174.6997 132 P 4.4261 0.0000 0.0000 63.2172 32.0247 177.3360 133 C 4.4551 8.5644 115.7678 57.3994 41.2883 173.9680 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 S 8.09 4.72 0.00 4.10 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 0.00 2 L 8.09 4.03 0.00 1.71 1.78 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *3 F 8.72 4.10 0.00 2.33 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 0.00 0.00 0.00 0.00 4 E 7.87 4.16 0.00 1.82 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 1.47 2.32 0.00 5 L 7.73 4.06 0.00 1.82 1.71 0.90 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.10 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 0.00 0.00 0.00 7 K 7.79 3.89 0.00 2.00 2.04 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 8 M 8.38 3.88 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 9 I 7.83 3.67 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.89 0.00 0.00 10 L 7.63 4.04 0.00 1.76 1.65 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.60 3.73 0.00 1.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.26 1.91 0.00 12 E 7.89 4.27 0.00 2.02 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 0.00 2.41 2.48 0.00 13 T 8.33 4.21 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 1.18 0.00 0.00 *15 G 7.67 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 16 K 7.64 4.36 0.00 1.77 1.54 0.00 1.45 0.00 0.00 1.20 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.41 7.81 17 N 8.33 4.46 0.00 2.72 2.64 0.00 0.00 6.91 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 18 P 0.00 4.40 0.00 2.22 2.16 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 19 A 8.21 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.88 0.00 1.73 1.79 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.51 7.81 21 S 7.80 4.62 0.00 3.25 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 22 Y 7.70 4.99 0.00 3.10 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 23 G 8.33 3.78 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 0.00 0.00 0.00 24 A 7.35 4.91 0.58 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 25 Y 9.23 5.01 0.00 2.96 2.87 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 26 G 8.37 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 27 C 9.15 4.65 0.00 2.97 3.15 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 28 N 8.80 4.64 0.00 3.04 2.94 0.00 0.00 7.02 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.49 4.64 0.00 3.42 3.46 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 30 G 7.45 4.27 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 0.00 31 V 8.12 4.60 2.14 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 0.85 0.00 0.00 1.00 0.00 0.00 32 L 8.08 4.71 0.00 1.69 1.67 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.96 3.88 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 34 R 8.13 4.74 0.00 1.78 2.13 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 35 G 8.41 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.42 3.86 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 0.00 0.00 0.00 37 P 0.00 5.17 0.00 2.09 2.02 0.00 3.10 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 38 K 8.74 3.94 0.00 0.98 1.11 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.06 7.81 39 D 7.44 4.98 0.00 2.72 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 40 A 8.38 4.08 1.34 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 0.00 0.00 0.00 41 T 7.85 3.82 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 0.92 0.00 0.00 42 D 8.06 4.44 0.00 2.88 2.83 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 0.00 0.00 0.00 43 R 8.21 3.96 0.00 2.08 2.00 0.00 3.33 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 44 C 8.25 4.24 0.00 3.19 3.04 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 45 C 8.02 4.17 0.00 3.13 3.28 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 46 Y 8.06 3.95 0.00 3.09 3.19 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 47 V 7.89 3.44 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 0.91 0.00 0.00 1.08 0.00 0.00 48 H 8.08 3.87 0.00 3.14 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.75 3.67 0.00 1.91 1.71 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.37 7.81 50 C 7.63 4.18 0.00 2.87 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 51 C 8.27 4.21 0.00 2.95 3.14 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 52 Y 7.64 4.46 0.00 3.16 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 53 K 7.93 3.79 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.65 7.81 *57 K 7.70 4.49 0.00 1.89 1.90 0.00 1.79 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.60 7.81 58 L 8.11 4.06 0.00 1.64 1.57 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *59 T 7.96 3.96 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 60 G 7.30 4.15 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 0.00 61 C 7.78 4.55 0.00 3.29 3.12 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 *67 D 8.41 4.69 0.00 2.72 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 68 P 0.00 3.81 0.00 1.01 1.45 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 69 K 7.99 3.95 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.43 7.81 70 K 7.83 4.09 0.00 1.77 1.85 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.42 7.81 71 D 8.68 4.42 0.00 2.70 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 72 R 8.55 4.39 0.00 1.76 1.85 0.00 3.23 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 73 Y 7.37 4.97 0.00 3.14 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 74 S 9.60 5.16 0.00 3.94 4.05 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 0.00 0.00 0.00 75 Y 8.59 5.13 0.00 3.21 3.09 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 0.00 0.00 0.00 0.00 76 S 9.77 4.72 0.00 3.78 3.83 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 0.00 0.00 0.00 77 W 8.81 5.39 0.00 3.25 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 78 K 8.72 4.35 0.00 1.81 1.62 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.39 7.81 79 D 8.97 4.43 0.00 2.63 2.57 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 80 K 7.12 2.00 0.00 1.52 1.47 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.19 7.81 81 T 6.50 4.52 4.29 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 1.19 0.00 0.00 82 I 8.75 4.80 2.02 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 1.71 1.04 1.02 0.00 0.00 83 V 9.33 4.37 2.17 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 1.02 0.00 0.00 0.97 0.00 0.00 84 C 9.09 4.69 0.00 3.00 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 85 G 8.07 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 86 E 8.14 4.50 0.00 1.94 1.92 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 2.52 2.16 0.00 *87 N 8.78 4.49 0.00 2.74 2.72 0.00 0.00 6.75 7.99 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 88 N 8.02 4.69 0.00 2.71 2.89 0.00 0.00 6.80 7.44 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 *90 P 0.00 4.34 0.00 2.28 2.25 0.00 3.86 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 2.08 1.96 0.00 91 C 8.15 4.09 0.00 3.13 3.13 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 0.00 92 L 8.13 3.94 0.00 1.93 1.84 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.26 3.85 0.00 1.96 1.90 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.40 7.81 94 E 8.26 3.87 0.00 2.14 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 2.30 2.30 0.00 95 L 8.17 3.93 0.00 1.87 1.71 1.07 0.92 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 96 C 8.08 3.47 0.00 1.81 2.86 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 97 E 8.36 3.78 0.00 2.13 1.95 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 0.00 2.49 2.46 0.00 98 C 8.00 4.30 0.00 3.39 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 99 D 8.19 4.32 0.00 2.88 2.74 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 0.00 100 K 8.30 3.85 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.48 7.81 101 A 8.09 3.97 1.39 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 0.00 0.00 0.00 102 V 7.67 3.52 1.88 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 0.62 0.00 0.00 0.76 0.00 0.00 103 A 7.91 3.81 1.34 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 0.00 0.00 0.00 104 I 7.71 3.81 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.91 0.00 0.00 105 C 7.82 4.21 0.00 3.09 3.21 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 0.00 106 L 8.01 3.95 0.00 1.57 1.25 0.17 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.82 3.87 0.00 2.02 2.09 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.05 0.00 108 E 8.32 4.23 0.00 2.11 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 0.00 2.35 2.64 0.00 109 N 7.86 5.14 0.00 2.75 2.80 0.00 0.00 6.87 6.77 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 0.00 110 L 7.98 4.20 0.00 1.69 1.74 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.27 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 0.00 0.00 0.00 112 T 7.50 4.62 4.33 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 1.27 0.00 0.00 113 Y 7.91 4.18 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.76 5.04 0.00 2.78 2.48 0.00 0.00 6.84 6.50 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 0.00 115 K 8.85 3.99 0.00 1.88 1.93 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.86 1.69 7.81 116 K 7.96 3.67 0.00 0.99 1.41 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.44 7.81 117 Y 7.47 4.34 0.00 1.50 2.17 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 0.00 118 R 7.49 4.50 0.00 1.84 1.84 0.00 3.22 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 119 Y 7.49 4.84 0.00 3.12 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 0.00 120 H 8.92 5.04 0.00 3.17 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.83 4.89 0.00 1.60 1.53 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.40 3.78 0.00 1.68 1.69 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.47 7.81 123 P 0.00 4.11 0.00 2.00 1.68 0.00 3.26 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.43 0.00 *125 F 8.20 4.37 0.00 2.35 2.22 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 0.00 126 C 8.19 5.10 0.00 2.75 2.95 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 0.00 0.00 0.00 0.00 127 K 8.53 4.18 0.00 1.67 1.74 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.41 7.81 *129 K 8.34 4.25 0.00 1.57 1.65 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 130 A 8.54 4.43 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 0.00 131 D 8.41 4.56 0.00 2.72 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 0.00 132 P 0.00 4.43 0.00 2.06 2.03 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 133 C 8.56 4.46 0.00 2.92 2.92 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 * Residues marked with a * may have inaccurate shift predictions.