NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2119 8.2993 121.7736 56.3452 33.3738 174.5815 4 V 4.1009 7.9865 117.2764 59.7092 32.9169 173.7979 5 C 4.2466 9.1307 123.3020 59.3051 32.2638 175.5462 6 E 4.4441 8.4485 123.4020 57.5347 28.6423 176.9655 7 I 4.5103 8.0460 118.8552 62.8128 39.3500 176.8325 8 S 4.3963 8.1097 111.4017 57.6476 63.6402 174.5233 9 G 3.9284 8.2265 108.2499 46.2746 0.0000 173.7874 10 K 4.1533 7.4982 119.2437 56.6935 32.6336 175.6973 11 R 4.7985 8.1191 114.2200 54.4043 31.7952 172.1200 12 P 4.6950 0.0000 0.0000 62.9376 31.4864 175.2191 13 I 4.4718 8.3623 118.0138 59.1728 40.4912 174.4712 14 V 4.6633 8.2288 123.5654 61.8870 32.1794 174.7283 15 A 4.8093 8.8283 128.1847 50.4609 23.3476 173.9753 16 N 5.1484 8.6023 116.2810 52.1655 40.6165 175.0177 17 S 4.5077 9.0579 119.5257 57.2923 63.5199 172.8223 18 I 4.3252 8.2949 128.5621 60.5281 38.4918 175.4043 19 Q 4.5732 8.5636 125.3688 54.4725 30.9118 175.5285 20 R 4.9048 8.2769 122.8889 54.5343 32.8804 176.9947 21 R 4.6118 7.3991 113.1394 54.5339 31.8714 173.5231 22 G 3.9155 7.5212 107.6955 45.2388 0.0000 170.7606 23 K 4.3531 8.4195 119.9817 54.3401 33.5873 176.0334 24 A 4.1274 8.4197 127.9354 52.0705 19.1436 178.4949 25 K 3.8840 8.7587 123.3864 59.6292 32.6594 177.9743 26 R 4.1296 8.1959 117.2598 59.4934 31.4894 176.3546 27 E 4.2984 8.1643 116.2159 57.0973 27.3807 177.7218 28 G 3.6402 9.2446 116.1929 46.7699 0.0000 174.0856 29 G 3.8285 7.5211 105.6872 45.0487 0.0000 174.1876 30 V 3.2417 8.0641 108.2988 61.5053 28.4798 173.7474 31 G 4.4877 7.3031 107.1942 43.6445 0.0000 169.9724 32 K 4.6000 8.4767 119.1590 54.5611 34.1471 175.4803 33 K 4.6209 8.2583 121.5427 55.1819 34.7607 175.4703 34 T 4.2293 8.3072 120.5403 63.3642 68.6837 174.3908 35 T 4.0643 9.7258 127.6185 64.9886 68.1164 174.5994 36 G 4.2273 7.7267 105.9998 44.9296 0.0000 170.2602 37 I 4.7699 8.3435 124.7447 59.6673 39.3520 174.9319 38 S 4.6569 8.2816 118.5977 57.0078 66.2460 173.4492 39 K 4.9410 8.7426 123.9459 54.7195 33.7366 175.7231 40 R 4.4699 7.4139 117.9144 56.4707 31.4705 172.6615 41 R 4.9367 8.1446 114.7724 54.6787 33.0176 175.3578 42 Q 4.2920 8.7984 119.7236 54.3340 29.4605 174.9330 43 Y 4.5522 7.9030 121.6692 57.2865 39.0850 174.3929 44 P 4.3946 0.0000 0.0000 62.0670 32.0978 176.1848 45 N 4.6922 9.0556 125.2165 53.7570 38.1780 172.3656 46 L 5.1380 8.2564 123.8609 53.5681 43.0667 175.7871 47 Q 4.8184 8.2467 119.3212 53.7491 32.4069 175.2568 48 K 4.6381 8.5325 120.4016 56.7873 33.4980 176.4673 49 V 4.5979 8.6207 119.2136 62.1962 35.1516 172.7814 50 R 5.2549 8.2744 125.0318 54.7656 33.9387 174.5150 51 V 3.8193 7.8443 118.7372 61.5525 34.5544 172.8053 52 R 3.8718 8.9329 118.4665 53.7268 29.5726 176.0227 53 V 3.0197 8.2305 125.7382 63.0414 30.2476 174.4784 54 A 3.4573 8.3515 130.5303 52.5409 17.6365 177.9268 55 G 3.7407 8.8856 100.6777 49.6056 0.0000 174.2660 56 Q 4.2763 7.7716 117.2171 55.4187 29.4431 173.6974 57 E 5.0416 8.7005 114.9786 57.1702 31.5546 174.2386 58 I 3.1817 7.7694 116.9927 60.3933 38.4669 172.3574 59 T 5.0191 8.0765 109.8385 60.2214 72.2123 172.8694 60 F 4.7160 9.8513 120.4086 55.9230 42.7627 175.6019 61 R 4.9603 10.0814 124.5702 55.3824 29.5175 175.9757 62 V 4.0859 7.4888 117.6626 60.1961 33.4656 175.8954 63 A 4.1628 8.3234 124.2778 52.1134 18.9010 178.5291 64 A 4.0594 8.5224 122.7426 54.9527 18.4692 179.1927 65 S 4.4936 8.1055 107.9934 59.6617 63.3055 174.1122 66 H 4.9249 8.1551 117.1808 55.7050 30.5913 175.3053 67 I 3.6724 8.0261 123.5509 63.9472 37.3985 176.2476 68 P 4.1064 0.0000 0.0000 66.1998 30.6255 177.9017 69 K 3.5429 7.5341 119.5411 59.6937 31.9145 177.7989 70 V 3.3915 7.9211 118.1148 66.0752 31.3192 177.2398 71 Y 4.0062 8.4584 115.6506 61.2287 37.3553 178.5264 72 E 3.9670 9.0896 121.2058 59.2855 29.4778 179.0323 73 L 3.9620 8.2174 118.6123 57.7833 41.8049 179.0197 74 V 3.6284 7.8772 117.3495 66.0000 31.4894 177.4397 75 E 4.1208 8.1953 119.0426 59.0152 29.4447 180.2226 76 R 4.4813 7.4218 113.6098 55.6576 30.8084 176.4567 77 A 4.7230 8.7012 119.3474 52.9857 19.1694 177.4705 78 K 4.6119 8.1366 117.7854 56.4809 34.0118 177.2856 79 G 4.2210 7.7740 107.7111 45.0036 0.0000 172.4268 80 L 4.5684 7.9081 120.7863 52.5922 44.4160 176.3712 81 K 4.1892 8.6157 127.9563 55.3642 30.5727 173.9418 82 L 4.7562 8.0646 122.6420 52.5706 43.9095 175.6223 83 E 4.3547 8.1261 124.6697 56.2417 32.5695 173.7961 84 G 4.1409 8.8095 110.1971 46.0106 0.0000 174.8595 85 L 4.3869 8.2179 121.4642 54.5812 39.5459 177.3557 86 S 4.7775 7.6658 121.3884 55.5244 63.5240 174.4770 87 P 4.1285 0.0000 0.0000 67.3803 30.7221 177.2153 88 K 3.7400 8.1474 119.4905 58.8763 31.8809 178.3475 89 E 3.8133 8.0191 118.0030 59.5498 29.5218 178.7654 90 I 3.8441 7.4741 118.4755 64.5221 37.4072 178.0358 91 K 4.1394 7.8012 120.2165 59.3500 31.8051 178.8157 92 K 3.9595 7.2326 118.5416 59.4860 32.2956 178.2461 93 E 4.1912 8.4328 116.8135 57.4219 30.6828 178.3836 94 L 4.3360 7.5483 121.7749 54.2263 38.6388 174.6679 95 L 3.5490 7.8350 126.5066 56.7587 42.6799 174.8421 *96 K 4.1330 7.7689 122.8083 54.7546 32.3453 177.6941 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 3 K 8.30 4.21 0.00 1.66 1.80 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 4 V 7.99 4.10 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 0.72 0.00 0.00 1.02 0.00 0.00 5 C 9.13 4.25 0.00 2.97 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 6 E 8.45 4.44 0.00 2.15 1.98 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 2.31 2.46 0.00 7 I 8.05 4.51 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 1.02 0.00 0.00 8 S 8.11 4.40 0.00 3.95 3.76 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 9 G 8.23 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 10 K 7.50 4.15 0.00 1.79 1.77 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.37 7.81 11 R 8.12 4.80 0.00 1.78 1.86 0.00 3.08 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 12 P 0.00 4.69 0.00 2.29 2.56 0.00 3.40 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 13 I 8.36 4.47 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.14 0.99 0.00 0.00 14 V 8.23 4.66 2.07 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 0.77 0.00 0.00 0.93 0.00 0.00 15 A 8.83 4.81 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 16 N 8.60 5.15 0.00 2.60 2.74 0.00 0.00 6.82 7.57 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 17 S 9.06 4.51 0.00 3.84 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 18 I 8.29 4.33 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 0.90 0.00 0.00 19 Q 8.56 4.57 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 20 R 8.28 4.90 0.00 1.67 1.86 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 21 R 7.40 4.61 0.00 1.66 1.82 0.00 3.36 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 22 G 7.52 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 23 K 8.42 4.35 0.00 1.72 1.70 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 24 A 8.42 4.13 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 25 K 8.76 3.88 0.00 1.71 1.85 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 26 R 8.20 4.13 0.00 1.80 1.98 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 27 E 8.16 4.30 0.00 2.12 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 2.29 2.30 0.00 28 G 9.24 3.64 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 0.00 0.00 0.00 29 G 7.52 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 0.00 0.00 0.00 30 V 8.06 3.24 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 7.30 4.49 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 0.00 32 K 8.48 4.60 0.00 1.73 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.42 7.81 33 K 8.26 4.62 0.00 1.66 1.70 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.39 7.81 34 T 8.31 4.23 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 35 T 9.73 4.06 4.25 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 1.21 0.00 0.00 36 G 7.73 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 0.00 0.00 0.00 37 I 8.34 4.77 1.87 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 1.22 0.67 0.90 0.00 0.00 38 S 8.28 4.66 0.00 3.96 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 39 K 8.74 4.94 0.00 1.65 1.71 0.00 1.96 0.00 0.00 1.07 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.32 7.81 40 R 7.41 4.47 0.00 1.85 2.01 0.00 2.93 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 41 R 8.14 4.94 0.00 1.67 1.82 0.00 3.36 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.00 42 Q 8.80 4.29 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 43 Y 7.90 4.55 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 1.97 2.05 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 45 N 9.06 4.69 0.00 2.84 2.77 0.00 0.00 6.66 6.66 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 46 L 8.26 5.14 0.00 1.75 1.62 1.04 0.56 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 47 Q 8.25 4.82 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 48 K 8.53 4.64 0.00 1.65 1.81 0.00 1.68 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 1.46 1.52 7.81 49 V 8.62 4.60 2.25 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 1.00 0.00 0.00 1.07 0.00 0.00 50 R 8.27 5.25 0.00 1.70 1.81 0.00 3.32 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 51 V 7.84 3.82 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 0.66 0.00 0.00 0.62 0.00 0.00 52 R 8.93 3.87 0.00 1.91 1.89 0.00 3.16 0.00 0.00 3.12 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 53 V 8.23 3.02 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 0.77 0.00 0.00 0.92 0.00 0.00 54 A 8.35 3.46 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 55 G 8.89 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 0.00 0.00 0.00 56 Q 7.77 4.28 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 57 E 8.70 5.04 0.00 1.87 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 2.18 2.34 0.00 58 I 7.77 3.18 1.90 0.00 0.00 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 1.56 1.06 0.94 0.00 0.00 59 T 8.08 5.02 4.38 0.00 0.00 0.00 0.00 0.00 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 60 F 9.85 4.72 0.00 2.89 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 61 R 10.08 4.96 0.00 1.69 1.85 0.00 3.07 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 62 V 7.49 4.09 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 0.89 0.00 0.00 1.01 0.00 0.00 63 A 8.32 4.16 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 64 A 8.52 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.49 0.00 4.03 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 66 H 8.16 4.92 0.00 3.19 3.31 0.00 5.82 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.03 3.67 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.11 0.87 0.00 0.00 68 P 0.00 4.11 0.00 2.21 2.25 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 2.05 2.00 0.00 69 K 7.53 3.54 0.00 1.99 1.96 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.45 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.61 7.81 70 V 7.92 3.39 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 0.28 0.00 0.00 0.93 0.00 0.00 71 Y 8.46 4.01 0.00 3.14 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 72 E 9.09 3.97 0.00 2.05 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 2.31 2.50 0.00 73 L 8.22 3.96 0.00 1.72 1.61 0.88 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 74 V 7.88 3.63 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 0.70 0.00 0.00 0.68 0.00 0.00 75 E 8.20 4.12 0.00 2.27 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 2.31 2.36 0.00 76 R 7.42 4.48 0.00 2.04 2.01 0.00 3.06 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 77 A 8.70 4.72 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 78 K 8.14 4.61 0.00 1.71 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.53 7.81 79 G 7.77 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 0.00 0.00 0.00 0.00 80 L 7.91 4.57 0.00 1.56 1.52 0.93 0.66 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 81 K 8.62 4.19 0.00 1.76 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.46 7.81 82 L 8.06 4.76 0.00 1.64 1.56 0.93 0.95 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 83 E 8.13 4.35 0.00 1.87 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 2.20 2.35 0.00 84 G 8.81 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 85 L 8.22 4.39 0.00 1.64 1.65 0.92 0.80 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 86 S 7.67 4.78 0.00 3.99 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 87 P 0.00 4.13 0.00 2.26 2.50 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 88 K 8.15 3.74 0.00 1.78 1.85 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.47 7.81 89 E 8.02 3.81 0.00 2.18 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 2.39 2.38 0.00 90 I 7.47 3.84 1.89 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 1.41 0.69 0.93 0.00 0.00 91 K 7.80 4.14 0.00 1.72 1.90 0.00 1.31 0.00 0.00 1.33 0.00 0.00 2.63 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.21 1.04 7.81 92 K 7.23 3.96 0.00 1.63 2.02 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 93 E 8.43 4.19 0.00 2.07 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 2.51 0.00 94 L 7.55 4.34 0.00 2.09 1.77 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.83 3.55 0.00 1.76 1.72 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.77 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.