NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.4607 8.1693 120.6402 54.4410 43.4889 177.4729 6 S 4.1854 8.2260 115.7049 60.1507 63.6624 172.9508 7 G 4.0427 8.5723 111.2345 44.8954 0.0000 173.3580 8 T 4.1097 8.4556 118.0535 63.3390 68.9572 174.8643 9 W 4.7941 8.5448 127.3627 56.7516 30.9639 175.0349 10 Y 5.1435 9.4527 121.1450 56.4943 40.3879 175.3290 11 V 5.1727 8.9233 116.5942 59.5994 36.6579 174.2402 12 L 5.1295 8.7806 121.3882 53.8752 42.7800 176.3580 13 E 4.7730 9.2349 122.5777 55.3285 33.3435 174.4433 14 G 4.1868 8.8467 108.9771 46.0881 0.0000 175.6282 15 D 4.6005 6.8460 121.6438 52.8068 41.9262 173.9828 16 P 4.4370 0.0000 0.0000 64.2922 31.6509 177.1463 17 G 3.9038 8.9671 110.4225 45.4478 0.0000 172.2580 18 E 4.5784 7.9497 120.4073 54.6088 30.9149 174.9796 19 H 4.8957 8.4051 121.8446 53.6611 32.4852 173.0367 20 L 4.2047 8.7406 125.3213 55.0009 41.5390 175.8001 21 V 4.6904 8.2387 126.0707 61.0133 33.9211 174.7245 22 V 4.5077 9.1361 126.8143 61.1005 34.8025 173.8868 23 E 5.0223 8.4533 125.9251 55.1436 30.9973 175.0809 24 A 4.2824 9.1393 125.7170 52.3390 22.5446 175.5035 25 L 3.7259 9.3577 116.5329 55.8156 39.0358 176.0309 26 G 3.9264 8.5076 103.7231 46.0178 0.0000 173.5253 27 E 4.6992 8.0561 118.3294 54.3509 33.3225 174.3470 28 R 4.9478 8.2844 118.8128 55.0198 31.8336 175.7217 29 L 4.9740 9.4043 124.4963 53.2532 45.5933 176.0602 30 S 4.6157 8.2263 115.6107 58.2501 65.8693 172.4924 31 G 3.9477 8.3780 102.8495 45.3865 0.0000 172.8213 32 I 4.8987 7.2442 113.8572 58.5666 41.5502 173.9743 33 W 5.1097 9.5992 122.9233 55.2624 32.7242 176.3794 34 T 4.5962 9.6500 111.6531 62.1334 69.0995 175.3941 35 S 4.4331 7.6120 116.8112 55.8137 67.2010 174.6413 36 R 3.2072 7.2736 123.2986 59.5413 29.8208 178.7932 37 E 3.8990 7.8604 117.7974 59.1558 29.3531 179.2414 38 L 3.9285 7.8449 118.8050 57.8490 41.8221 179.3691 39 A 2.5800 7.4888 120.3404 54.7927 18.2047 179.5701 40 E 4.0039 8.4070 117.1796 59.1547 29.2004 179.5318 41 A 3.9617 7.7976 120.6529 55.0180 18.9102 179.0969 42 F 4.1885 8.2219 119.4344 61.2603 39.3649 177.0210 43 L 3.8217 8.3782 120.1188 58.1678 41.6696 178.8095 44 A 3.9115 7.8899 119.4104 55.0380 18.3311 178.3531 45 H 4.4306 7.6739 111.8108 56.0002 30.4695 175.3394 46 H 4.6995 7.6197 117.2658 53.3946 28.7108 171.3757 47 P 4.2454 0.0000 0.0000 63.4953 32.2781 176.0659 48 H 4.1865 8.5269 114.1405 57.2001 25.8448 175.6609 49 L 4.5464 8.0238 116.3065 53.6056 42.5136 176.3611 50 G 3.7520 7.7818 108.9218 45.7563 0.0000 172.9698 *52 R 4.1537 7.4744 119.4634 56.3247 31.8281 175.0357 53 V 4.7195 8.2598 120.2931 62.0433 32.6242 175.1971 54 S 4.9347 9.2843 121.6107 56.5921 66.7293 172.5185 55 A 4.6017 8.5826 122.7492 50.5507 20.8243 176.9505 56 L 4.3212 8.6665 122.2809 53.2586 42.3913 177.0892 57 E 3.8689 8.6119 124.3109 57.8828 30.3615 178.1241 58 S 4.5831 7.4174 113.1021 56.8986 66.3785 175.1883 59 R 3.7657 8.1680 120.2239 58.9072 29.7509 179.1914 60 A 3.9271 7.7653 120.4260 55.0468 18.4958 179.5586 61 L 3.9259 7.6907 117.0627 57.7531 41.7201 179.8305 62 K 3.7455 7.7842 118.4112 59.3565 31.8070 179.0390 63 E 3.9274 8.3302 119.5222 59.2145 29.5357 178.6072 64 A 3.9850 8.0627 120.8837 55.2640 18.5312 178.9500 65 Y 4.1006 8.1766 117.9785 61.0460 38.9094 178.4677 66 L 3.9625 8.1992 119.8079 57.7020 41.4603 179.7222 67 R 3.9150 8.1336 117.5437 58.8594 30.0127 178.6367 68 A 4.1007 7.5428 119.6747 55.0580 18.6843 179.2394 69 L 4.0099 7.4839 117.2647 57.6537 41.7243 180.8146 70 G 3.8885 7.9110 103.1726 45.2064 0.0000 174.4703 *72 L 4.1746 7.6659 117.8378 53.2806 43.1493 176.7152 73 Q 3.3916 7.6623 115.4682 56.8677 26.6416 173.7859 74 V 4.1780 7.7385 118.0959 61.7455 32.0945 175.0850 75 E 4.4079 8.4243 126.3342 57.8636 31.0321 176.1953 76 A 5.0044 7.7294 119.2762 50.3802 23.1663 175.0921 77 V 4.9480 8.1464 113.0740 59.2723 35.9732 175.3311 *79 V 3.6865 8.3896 124.1511 64.8545 32.3510 175.6979 80 D 4.1755 7.8660 127.9368 54.9607 38.8769 173.9956 81 Y 4.1792 7.3285 118.4346 58.0787 39.6046 175.1192 82 R 4.7488 7.8705 124.8122 53.5275 33.8958 174.6969 83 P 4.0595 0.0000 0.0000 64.8801 31.4850 177.1959 84 G 3.9200 7.4369 106.7924 45.4255 0.0000 171.8691 85 T 4.5083 7.7622 117.1435 60.9427 72.1529 172.7720 86 H 4.3957 9.2657 121.9692 57.4075 27.4790 176.9645 87 R 4.7188 8.8430 119.1077 54.3725 34.7105 174.9541 88 A 4.1071 8.4617 122.2749 52.4910 18.9521 177.4339 89 Q 4.4588 8.4098 120.0989 54.4797 29.9169 175.1211 90 V 4.4273 8.2637 124.3632 61.0872 33.3203 174.7045 91 A 4.7443 8.4457 129.0851 49.8446 22.0137 175.7515 92 R 4.3165 8.4887 121.7350 55.7588 31.1491 178.0324 93 V 3.6060 8.8377 122.5476 65.8682 31.1750 178.3495 94 K 3.9030 7.9800 118.9026 59.8046 32.2010 178.4246 95 D 4.3919 8.0358 118.5257 57.1038 40.7467 178.7113 96 L 4.0921 8.0388 119.7346 57.8250 41.7262 179.1350 97 L 4.0766 8.4126 120.5882 57.9403 41.5945 178.8538 98 E 3.9054 7.6157 118.5146 59.4680 29.8095 178.3151 99 E 4.1091 7.9373 116.8949 59.0965 29.4897 179.4596 100 V 3.7357 7.6049 117.6455 65.7301 31.9024 175.9900 101 R 4.0795 7.9177 120.6215 56.4964 29.8679 176.4416 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 5 L 8.17 4.46 0.00 1.73 1.96 0.66 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.23 4.19 0.00 4.11 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 7 G 8.57 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 8 T 8.46 4.11 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 0.68 0.00 0.00 9 W 8.54 4.79 0.00 3.09 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 10 Y 9.45 5.14 0.00 3.11 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 11 V 8.92 5.17 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 0.39 0.00 0.00 0.91 0.00 0.00 12 L 8.78 5.13 0.00 1.74 1.74 0.75 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.23 4.77 0.00 1.84 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 2.33 2.31 0.00 14 G 8.85 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 15 D 6.85 4.60 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.05 2.01 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 17 G 8.97 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 18 E 7.95 4.58 0.00 1.93 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 0.00 2.27 2.28 0.00 19 H 8.41 4.90 0.00 3.15 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.74 4.20 0.00 1.77 1.77 1.19 0.98 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 21 V 8.24 4.69 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 0.82 0.00 0.00 0.94 0.00 0.00 22 V 9.14 4.51 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 0.92 0.00 0.00 0.95 0.00 0.00 23 E 8.45 5.02 0.00 1.87 1.85 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 2.21 2.28 0.00 24 A 9.14 4.28 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 25 L 9.36 3.73 0.00 1.78 1.75 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.51 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 0.00 0.00 0.00 0.00 27 E 8.06 4.70 0.00 1.94 1.76 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 2.18 2.22 0.00 28 R 8.28 4.95 0.00 1.87 1.82 0.00 3.05 0.00 0.00 3.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 29 L 9.40 4.97 0.00 1.39 1.37 0.88 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.23 4.62 0.00 3.84 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 31 G 8.38 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 32 I 7.24 4.90 1.60 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 0.81 0.31 0.73 0.00 0.00 33 W 9.60 5.11 0.00 3.49 3.03 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 34 T 9.65 4.60 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 1.24 0.00 0.00 35 S 7.61 4.43 0.00 3.92 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 36 R 7.27 3.21 0.00 1.19 1.65 0.00 3.22 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 37 E 7.86 3.90 0.00 1.97 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 2.31 0.00 38 L 7.84 3.93 0.00 1.98 1.94 1.12 0.81 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 39 A 7.49 2.58 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 40 E 8.41 4.00 0.00 2.07 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 2.37 2.37 0.00 41 A 7.80 3.96 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 42 F 8.22 4.19 0.00 3.06 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 43 L 8.38 3.82 0.00 1.83 1.67 0.92 0.96 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 44 A 7.89 3.91 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 45 H 7.67 4.43 0.00 3.10 3.16 0.00 5.80 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.62 4.70 0.00 2.81 3.11 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.25 0.00 1.70 1.72 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 48 H 8.53 4.19 0.00 3.32 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.02 4.55 0.00 1.63 1.70 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.78 3.75 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 *52 R 7.47 4.15 0.00 1.94 2.13 0.00 2.98 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 53 V 8.26 4.72 2.24 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 0.93 0.00 0.00 0.82 0.00 0.00 54 S 9.28 4.93 0.00 3.89 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 55 A 8.58 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.67 4.32 0.00 1.31 1.39 0.62 0.81 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 57 E 8.61 3.87 0.00 1.85 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 2.22 0.00 58 S 7.42 4.58 0.00 3.95 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 59 R 8.17 3.77 0.00 1.79 1.92 0.00 3.08 0.00 0.00 3.54 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 60 A 7.77 3.93 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 61 L 7.69 3.93 0.00 1.67 1.64 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.75 0.00 1.48 0.94 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 1.04 7.81 63 E 8.33 3.93 0.00 2.02 1.97 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 2.30 2.32 0.00 64 A 8.06 3.98 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 65 Y 8.18 4.10 0.00 3.23 3.33 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 66 L 8.20 3.96 0.00 1.95 1.76 1.21 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.13 3.91 0.00 1.91 1.98 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 68 A 7.54 4.10 1.32 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 0.00 0.00 0.00 69 L 7.48 4.01 0.00 1.69 1.54 0.63 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.91 3.89 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 0.00 0.00 0.00 *72 L 7.67 4.17 0.00 1.74 1.73 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.66 3.39 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 74 V 7.74 4.18 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 0.74 0.00 0.00 0.87 0.00 0.00 75 E 8.42 4.41 0.00 1.97 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 2.26 2.23 0.00 76 A 7.73 5.00 1.16 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 0.00 0.00 77 V 8.15 4.95 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 1.04 0.00 0.00 0.74 0.00 0.00 *79 V 8.39 3.69 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 0.57 0.00 0.00 0.72 0.00 0.00 80 D 7.87 4.18 0.00 2.75 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 81 Y 7.33 4.18 0.00 2.53 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 82 R 7.87 4.75 0.00 1.78 1.69 0.00 3.18 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 83 P 0.00 4.06 0.00 1.96 2.05 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 84 G 7.44 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 0.00 0.00 0.00 85 T 7.76 4.51 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 1.14 0.00 0.00 86 H 9.27 4.40 0.00 3.14 3.08 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.84 4.72 0.00 1.76 1.79 0.00 3.39 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 A 8.46 4.11 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 89 Q 8.41 4.46 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 90 V 8.26 4.43 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 0.69 0.00 0.00 0.87 0.00 0.00 91 A 8.45 4.74 1.08 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 0.00 0.00 92 R 8.49 4.32 0.00 2.07 1.84 0.00 3.20 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 93 V 8.84 3.61 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 1.04 0.00 0.00 0.95 0.00 0.00 94 K 7.98 3.90 0.00 1.85 1.78 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 95 D 8.04 4.39 0.00 2.83 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 96 L 8.04 4.09 0.00 2.00 2.06 0.72 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.41 4.08 0.00 1.96 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.62 3.91 0.00 2.18 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 2.33 2.40 0.00 99 E 7.94 4.11 0.00 2.24 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 0.00 2.40 2.62 0.00 100 V 7.60 3.74 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 0.71 0.00 0.00 0.87 0.00 0.00 101 R 7.92 4.08 0.00 1.94 1.83 0.00 3.25 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.