NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.5504 8.1933 116.7402 58.0965 65.5355 173.3824 22 S 4.8260 7.9097 112.3611 54.0444 66.3871 170.8372 23 P 4.8239 0.0000 0.0000 61.8546 33.5398 175.3847 24 S 4.3786 9.2124 116.1893 57.8902 62.3594 174.0748 25 E 3.8330 9.7733 130.4073 57.6497 26.5315 175.8248 26 G 4.0140 8.6605 102.3913 45.4992 0.0000 172.5529 27 L 5.2030 7.8469 118.4346 53.1364 46.6252 174.5865 28 C 5.2826 9.0251 119.2235 54.1488 42.9805 172.0207 29 P 2.9700 0.0000 0.0000 61.4050 31.3406 174.0567 30 P 4.0145 0.0000 0.0000 63.7907 32.3578 176.6611 31 G 3.9419 10.2132 109.0106 44.0039 0.0000 172.4946 32 H 5.2768 7.8593 114.9453 54.6530 33.4401 171.9404 33 H 5.1299 8.6929 113.8494 54.0498 32.2582 172.9421 34 I 4.2941 8.4838 120.9465 60.8867 39.2462 174.5748 35 S 4.7047 8.0636 117.6016 56.1840 65.4786 174.9461 36 E 3.8336 8.9942 121.6812 59.5840 28.8235 177.9722 37 D 4.3972 7.8099 115.9790 53.6207 39.7421 177.6725 38 G 3.9597 8.3063 108.2407 46.1167 0.0000 174.7136 39 R 4.0629 7.7045 119.7103 58.3292 30.0505 175.3441 40 D 5.0535 7.7351 115.6333 52.7628 46.2022 175.0931 41 C 5.0351 8.9352 117.0171 55.3559 41.6727 174.7533 42 I 4.1138 7.9528 125.3730 61.0169 38.2043 175.5473 43 S 4.8305 8.2731 118.6088 57.2255 63.9570 174.2717 44 C 4.6673 8.3857 122.0578 56.1949 36.1854 173.9429 45 K 4.2104 8.9727 122.5857 56.0656 32.0797 176.4773 46 Y 4.0545 8.5664 125.5785 58.8126 39.2483 176.5592 47 G 4.1026 7.5884 114.1370 45.4909 0.0000 173.4325 48 Q 4.3070 7.8840 120.0002 55.6736 30.1913 176.4862 49 D 5.4015 8.4908 118.2596 52.5091 43.2737 175.6527 50 Y 4.9570 8.2802 115.8004 56.6881 41.9402 173.5602 51 S 4.6674 8.4010 113.6668 57.6349 65.9508 174.4788 52 T 4.5302 8.7950 116.9983 61.4622 67.8785 173.1484 53 H 5.2048 7.6457 115.6425 54.0516 33.0092 173.1297 54 W 4.9401 9.4279 119.8747 57.4287 29.8744 174.9770 55 N 4.7322 8.3976 118.5617 52.2620 40.0800 173.3286 56 D 5.1525 8.4315 116.7554 53.1349 39.7593 175.9175 57 L 4.2325 8.8806 120.0758 55.7692 42.2724 178.1942 58 L 4.2439 8.4635 121.8173 55.7094 42.0014 176.7686 59 F 4.3022 7.2343 115.3771 56.2957 42.6455 174.4248 60 C 4.6147 8.4852 121.5271 56.4203 42.8504 172.7672 61 L 4.3602 8.2871 120.6660 53.7873 42.3225 177.5322 62 R 4.4009 8.5414 122.5045 56.6034 30.9613 176.9218 63 C 5.2840 8.5031 118.6753 56.0985 41.2404 174.2809 64 T 4.2097 8.5794 118.9129 63.2696 68.9700 174.2210 65 R 4.4249 8.0793 121.8235 54.3943 32.0762 175.4753 66 C 4.4459 8.9094 123.7681 57.3389 40.4477 173.8905 67 D 4.5915 8.9928 125.4302 52.0467 40.4977 175.4974 68 S 4.1430 8.3917 115.5480 59.2394 63.1544 175.7644 69 G 3.9841 8.7499 106.3855 46.3063 0.0000 172.7853 70 E 5.1529 7.9131 118.4094 54.6725 32.7659 175.8164 71 V 4.3149 8.7477 117.2070 59.7297 34.6215 175.0678 72 E 4.3795 8.6392 125.0615 55.4127 29.4109 175.5365 73 L 4.4606 8.5453 126.7568 54.4735 42.7306 177.0054 74 S 4.7284 7.4280 111.5409 56.7600 65.4570 174.5165 75 P 4.7446 0.0000 0.0000 63.0115 32.3010 177.3821 76 C 4.5067 8.6390 121.3922 55.6076 42.9817 173.0235 77 T 3.3605 7.6441 115.3734 61.2364 68.9597 174.5537 78 T 4.2379 8.0640 114.1929 63.4261 67.5290 175.1440 79 T 4.8875 7.9200 108.4872 61.4390 71.4065 173.1785 80 R 4.5624 8.2835 123.8296 54.0835 32.9928 174.6250 81 N 3.8404 8.0308 124.0714 53.1013 40.4602 173.8234 82 T 4.5321 8.0725 118.1460 62.3093 68.9699 173.2221 83 V 4.3679 8.6318 122.5051 61.4563 34.4223 173.1324 84 C 5.5558 8.9310 125.2583 55.2603 40.5868 173.1485 85 Q 4.7776 8.5164 123.2418 53.9781 32.4053 173.9990 86 C 4.7737 8.4601 120.6625 56.8959 38.0940 173.3466 87 E 4.3639 9.3524 123.6702 55.4322 30.6383 176.1472 88 E 4.1348 8.5544 122.0310 57.8024 30.1282 175.6609 89 G 4.1099 9.1353 108.5670 45.0592 0.0000 173.2205 90 T 4.9070 7.2232 108.0859 60.0367 71.8052 173.0991 91 F 4.7501 8.7048 116.2545 56.2855 41.8953 171.9715 92 R 5.1418 8.0427 118.5847 57.2138 32.7991 174.0764 93 E 5.0820 8.5925 117.4445 56.0515 31.4606 176.6121 94 E 3.9343 8.5160 122.2644 59.8996 29.9434 177.8503 95 D 4.5358 8.0861 121.7733 56.5385 41.8920 177.0396 96 S 4.7318 7.5461 112.3005 56.2376 62.3963 172.0013 97 P 4.7243 0.0000 0.0000 63.5143 31.9822 177.2154 98 E 4.3230 8.0323 119.7414 58.6926 30.2114 176.5598 99 M 4.7267 7.4188 115.5644 53.4615 36.0633 175.0018 100 C 4.4134 8.6407 120.3212 57.3806 36.8743 173.4294 101 R 4.3946 8.0609 123.6111 54.4476 31.9326 176.1442 102 K 4.3716 8.2304 121.8757 56.5592 33.0351 176.4939 *116 D 4.2707 8.5675 123.7222 54.1505 42.0458 173.9256 117 C 4.1121 8.5056 120.3138 59.0322 31.5002 172.8106 118 T 3.2227 8.7308 117.6159 62.5680 65.5612 170.9184 119 P 4.0639 0.0000 0.0000 63.4417 31.0407 177.1252 120 W 5.2710 8.3757 116.2020 55.9085 30.9883 174.7455 121 S 4.0903 7.6005 108.9789 57.3907 64.2245 175.4182 122 D 3.6785 7.3234 125.7992 52.8521 41.7915 176.0912 123 I 4.2530 8.0981 114.3232 60.8112 37.1541 175.5047 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 21 S 8.19 4.55 0.00 3.79 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 4.83 0.00 3.89 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 0.00 23 P 0.00 4.82 0.00 2.28 2.07 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 24 S 9.21 4.38 0.00 4.04 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 25 E 9.77 3.83 0.00 2.08 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 0.00 2.19 2.17 0.00 26 G 8.66 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 27 L 7.85 5.20 0.00 1.70 1.92 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 C 9.03 5.28 0.00 2.81 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 29 P 0.00 2.97 0.00 1.42 0.79 0.00 3.41 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.50 0.00 30 P 0.00 4.01 0.00 1.87 2.05 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.18 0.00 31 G 10.21 3.94 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 0.00 0.00 0.00 32 H 7.86 5.28 0.00 2.87 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.69 5.13 0.00 3.36 3.29 0.00 5.26 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.48 4.29 1.88 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 1.28 0.96 0.93 0.00 0.00 35 S 8.06 4.70 0.00 3.92 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 36 E 8.99 3.83 0.00 1.88 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 2.29 2.38 0.00 37 D 7.81 4.40 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 39 R 7.70 4.06 0.00 1.93 2.00 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 40 D 7.74 5.05 0.00 2.55 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.94 5.04 0.00 2.73 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 42 I 7.95 4.11 1.55 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 1.06 0.57 0.86 0.00 0.00 43 S 8.27 4.83 0.00 3.63 3.65 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 44 C 8.39 4.67 0.00 2.91 3.34 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 45 K 8.97 4.21 0.00 1.92 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.45 7.81 46 Y 8.57 4.05 0.00 2.98 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 47 G 7.59 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 48 Q 7.88 4.31 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 49 D 8.49 5.40 0.00 2.55 2.66 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 50 Y 8.28 4.96 0.00 3.03 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 51 S 8.40 4.67 0.00 3.82 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 52 T 8.79 4.53 4.47 0.00 0.00 0.00 0.00 0.00 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 53 H 7.65 5.20 0.00 3.11 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 9.43 4.94 0.00 3.17 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 55 N 8.40 4.73 0.00 2.83 3.10 0.00 0.00 5.61 8.07 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 56 D 8.43 5.15 0.00 2.66 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 57 L 8.88 4.23 0.00 1.70 1.80 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.46 4.24 0.00 1.51 0.70 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.23 4.30 0.00 2.86 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 60 C 8.49 4.61 0.00 2.81 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 61 L 8.29 4.36 0.00 0.60 1.35 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.54 4.40 0.00 1.71 1.89 0.00 3.36 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 63 C 8.50 5.28 0.00 2.90 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 64 T 8.58 4.21 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 65 R 8.08 4.42 0.00 1.70 1.77 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 66 C 8.91 4.45 0.00 2.99 3.02 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 67 D 8.99 4.59 0.00 2.74 2.68 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 68 S 8.39 4.14 0.00 3.88 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 69 G 8.75 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 70 E 7.91 5.15 0.00 2.13 1.79 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 2.29 2.20 0.00 71 V 8.75 4.31 2.06 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 0.73 0.00 0.00 0.95 0.00 0.00 72 E 8.64 4.38 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 73 L 8.55 4.46 0.00 1.59 1.71 0.99 0.80 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 74 S 7.43 4.73 0.00 3.86 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 75 P 0.00 4.74 0.00 2.23 2.11 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 76 C 8.64 4.51 0.00 2.93 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 77 T 7.64 3.36 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 1.21 0.00 0.00 78 T 8.06 4.24 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 1.24 0.00 0.00 79 T 7.92 4.89 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 1.27 0.00 0.00 80 R 8.28 4.56 0.00 1.72 1.65 0.00 3.15 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.00 81 N 8.03 3.84 0.00 2.15 2.37 0.00 0.00 6.84 7.22 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 82 T 8.07 4.53 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 1.17 0.00 0.00 83 V 8.63 4.37 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 0.96 0.00 0.00 0.90 0.00 0.00 84 C 8.93 5.56 0.00 2.86 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 85 Q 8.52 4.78 0.00 2.10 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 1.92 2.29 0.00 86 C 8.46 4.77 0.00 2.69 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 87 E 9.35 4.36 0.00 2.03 1.74 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 2.27 2.26 0.00 88 E 8.55 4.13 0.00 2.09 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 2.24 2.29 0.00 89 G 9.14 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 0.00 0.00 0.00 90 T 7.22 4.91 4.20 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 1.15 0.00 0.00 91 F 8.70 4.75 0.00 3.10 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 92 R 8.04 5.14 0.00 1.78 1.97 0.00 3.36 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 93 E 8.59 5.08 0.00 2.32 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 0.00 2.23 2.20 0.00 94 E 8.52 3.93 0.00 2.01 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 2.33 2.39 0.00 95 D 8.09 4.54 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.55 4.73 0.00 3.87 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 97 P 0.00 4.72 0.00 2.22 2.21 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 98 E 8.03 4.32 0.00 1.96 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 2.26 2.26 0.00 99 M 7.42 4.73 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 100 C 8.64 4.41 0.00 2.74 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 0.00 101 R 8.06 4.39 0.00 0.67 1.45 0.00 3.03 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 102 K 8.23 4.37 0.00 1.65 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 *116 D 8.57 4.27 0.00 2.74 2.66 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 0.00 117 C 8.51 4.11 0.00 2.94 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 0.00 118 T 8.73 3.22 4.43 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 1.25 0.00 0.00 119 P 0.00 4.06 0.00 0.49 1.37 0.00 2.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.70 0.00 120 W 8.38 5.27 0.00 3.35 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 0.00 121 S 7.60 4.09 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.32 3.68 0.00 1.99 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 0.00 0.00 0.00 0.00 123 I 8.10 4.25 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.