NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.3941 8.3049 118.7292 54.3704 33.9082 175.0611 4 R 4.3011 5.8924 116.8156 56.3677 31.1404 175.6045 5 R 4.4118 7.6878 116.9700 54.8900 30.4132 175.0397 6 W 5.3724 6.9088 114.0247 56.1255 32.2790 174.8155 7 F 5.2898 7.4603 122.6300 57.7066 39.2161 174.9157 8 H 4.5200 8.8514 126.8756 52.6525 28.7382 172.6412 9 P 3.9869 0.0000 0.0000 64.5449 31.3657 177.6061 10 N 4.7280 7.6964 113.7690 53.0330 39.9436 174.9223 11 I 3.8492 7.4569 118.3770 60.9962 38.9351 175.9120 12 T 4.5033 8.3377 123.0774 62.4212 71.0461 176.3643 13 G 3.6226 8.4553 108.7240 48.0359 0.0000 175.9619 14 V 4.0720 7.6162 120.8282 64.5798 31.6808 177.8603 15 E 3.9564 8.1294 118.1099 59.1119 29.3134 178.8535 16 A 4.0043 8.0301 120.9639 55.2137 18.5903 179.0496 17 E 3.9080 8.2489 117.0611 59.7925 29.5088 178.9070 18 N 4.3519 8.5322 116.7064 56.9927 39.0187 176.7288 19 L 3.9395 8.3987 121.7829 58.2080 42.0150 178.9406 20 L 4.1055 8.1947 119.0492 57.5516 41.3957 179.2273 21 L 4.1078 8.0969 118.2693 57.5999 41.6533 178.9817 22 T 4.1119 8.0327 115.8276 65.7001 68.7003 176.2338 23 R 4.3682 8.4160 120.5864 57.2259 30.9636 177.0988 24 G 3.9556 7.4284 105.3696 45.0496 0.0000 171.8055 25 V 4.5406 8.5404 112.3768 58.7305 35.6512 174.8719 26 D 4.8002 8.4222 120.3089 55.8841 41.5867 176.6087 27 G 4.1157 9.4741 115.2892 45.3259 0.0000 173.6589 28 S 5.6627 8.6127 116.7410 58.5753 64.0675 173.6243 29 F 5.5606 8.3950 117.7727 56.1349 41.9801 172.3741 30 L 5.0394 9.1384 117.6078 54.9607 44.2330 173.8838 31 A 5.9400 9.9928 121.3279 49.6279 22.1581 175.5671 32 R 5.2049 8.6079 115.6731 53.7494 33.1856 172.7725 33 P 4.4685 0.0000 0.0000 62.8795 31.9482 175.9138 34 S 4.3833 8.9392 120.1711 58.8167 63.2654 175.7574 35 K 4.1047 8.7020 128.2098 57.2917 32.2075 177.3076 36 S 4.3322 8.0478 114.5127 60.9482 63.3050 174.4949 37 N 4.9155 8.3002 118.2252 50.3403 38.7146 170.3945 38 P 4.8325 0.0000 0.0000 62.1166 32.4436 175.0713 39 G 3.7254 8.8453 115.1004 46.1879 0.0000 173.9141 40 D 4.7585 8.0000 120.5092 53.7911 42.8462 174.8101 41 F 5.2904 8.8121 117.1533 56.4729 43.5632 174.4101 42 T 5.2248 9.1907 114.3553 62.5993 73.3359 173.2238 43 L 5.2617 9.1879 125.0377 53.4414 44.1473 175.5639 44 S 5.2796 9.2081 120.0205 56.7436 65.8679 173.3467 45 V 4.9364 8.5879 123.8451 61.0450 34.8535 174.1472 46 R 4.8063 9.2436 129.7829 55.9849 31.1813 175.4548 47 R 5.0770 9.5944 120.3892 57.4721 32.3658 174.6743 48 N 3.9405 9.7142 116.1169 54.0478 36.0019 174.3844 49 G 3.8851 8.1476 103.1382 46.1771 0.0000 173.4968 50 A 4.7176 7.8237 120.3986 50.4713 23.5340 175.7650 51 V 4.8264 8.2560 117.5929 61.6439 34.2884 174.7881 52 T 4.6315 8.8919 124.3075 62.1140 71.2359 173.0305 53 H 5.4073 8.7832 122.2051 54.2340 31.1689 173.3290 54 I 4.5669 8.7302 124.9681 59.2248 39.6549 175.3424 55 K 4.7388 8.7404 126.2279 56.3535 33.9305 175.8349 56 I 4.6842 8.7814 125.6978 59.4078 39.4573 174.8587 57 Q 4.2881 8.8330 130.2406 55.9942 29.9892 174.3627 58 N 4.6838 8.9050 126.2167 51.8042 39.2712 174.3350 59 T 3.7272 8.1108 117.0103 62.3929 69.2980 174.9006 60 G 4.0416 7.8415 109.4822 45.4094 0.0000 174.1976 61 D 4.7333 7.4520 117.3636 55.4416 42.5812 175.1376 62 Y 5.1438 7.4510 115.4770 56.4749 42.1154 173.2293 63 Y 5.8880 9.4682 116.9097 55.8971 41.8420 174.8646 64 D 4.8272 8.3916 119.8750 52.9875 42.5561 175.6635 65 L 4.8090 7.8970 117.4771 54.8350 40.8901 176.6380 66 Y 3.3028 8.2064 110.6707 57.8442 35.6786 170.7782 67 G 4.2480 8.6233 104.1956 43.9885 0.0000 173.9121 68 G 4.1189 8.1971 108.1782 44.1504 0.0000 172.6151 69 E 3.6206 8.5043 119.0612 56.2551 29.9631 177.1214 70 K 4.6922 7.6084 124.1192 54.7814 34.4576 175.7450 71 F 4.8746 8.8765 118.8481 55.5647 42.9986 176.1343 72 A 4.2340 8.8925 126.3949 55.1548 18.2826 178.4694 73 T 4.5519 7.5008 110.4101 60.8483 74.0538 174.6686 74 L 3.2763 7.2604 123.7950 57.7705 42.0055 178.9616 75 A 4.2133 7.7577 120.3551 55.4588 18.3702 179.2928 76 E 3.8867 8.0638 116.3438 59.1540 29.5758 179.3023 77 L 2.4400 6.9439 119.8271 57.6634 42.1170 179.2447 78 V 3.2922 7.2258 118.1636 65.7193 31.3003 177.7334 79 Q 3.8666 8.1426 119.7576 59.1449 28.8493 177.6264 80 Y 3.8937 7.8880 120.4523 61.0545 38.7595 177.7041 81 Y 4.3631 7.6919 115.7179 60.9119 37.9316 178.1926 82 M 4.0862 7.9509 119.4275 57.6362 32.1777 178.0157 83 E 4.1462 7.8698 118.8907 58.0912 30.1736 176.4653 84 H 4.3688 7.8196 121.9216 54.5909 28.4053 174.9150 *85 H 4.4587 8.2918 121.7995 55.4658 28.4241 173.1735 86 G 3.9459 9.0155 112.1661 45.8937 0.0000 174.6833 87 Q 4.2938 8.2070 120.1536 56.8008 29.7174 176.2352 88 L 4.5461 7.8697 118.6871 53.3788 42.5047 175.6653 89 K 4.9640 8.2854 122.2762 54.4681 35.8924 176.1535 90 E 4.3349 8.9720 125.2378 55.8957 30.5493 178.8166 91 K 3.9848 8.5710 121.2958 57.8650 31.6485 176.2812 92 N 4.5293 8.0107 114.5437 53.4696 37.6111 175.4960 93 G 4.0724 8.1111 107.4362 45.4563 0.0000 173.9714 94 D 4.4854 8.9581 121.4631 54.1689 41.6729 176.3162 95 V 4.2765 8.4892 123.9929 63.0855 32.4031 174.9090 96 I 4.5436 8.4094 128.4362 59.4533 39.2124 174.8120 97 E 4.4608 8.5636 126.2467 54.3519 31.8935 175.9121 98 L 3.9035 8.0823 126.8558 53.6478 40.4578 175.8457 99 K 4.0171 8.3457 123.4287 58.0209 33.3671 175.8871 100 Y 4.8692 8.4280 122.5816 55.2101 40.4093 173.0000 101 P 3.4232 0.0000 0.0000 62.9691 32.1137 175.5224 102 L 4.6573 8.5323 127.2783 53.1977 44.0644 176.1884 103 N 4.4983 8.6933 122.4698 53.0787 37.6442 174.7905 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 M 8.30 4.39 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 4 R 5.89 4.30 0.00 1.56 1.54 0.00 3.31 0.00 0.00 3.41 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 5 R 7.69 4.41 0.00 1.62 1.75 0.00 3.06 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 6 W 6.91 5.37 0.00 3.25 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 7 F 7.46 5.29 0.00 2.26 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 8 H 8.85 4.52 0.00 3.04 3.09 0.00 5.69 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 9 P 0.00 3.99 0.00 2.10 1.94 0.00 3.41 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 10 N 7.70 4.73 0.00 2.67 2.85 0.00 0.00 6.87 7.45 0.00 0.00 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 I 7.46 3.85 1.88 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 1.41 0.74 0.95 0.00 0.00 12 T 8.34 4.50 4.28 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 1.20 0.00 0.00 13 G 8.46 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 0.00 0.00 0.00 14 V 7.62 4.07 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 1.30 0.00 0.00 0.92 0.00 0.00 15 E 8.13 3.96 0.00 2.30 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 2.40 2.37 0.00 16 A 8.03 4.00 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 17 E 8.25 3.91 0.00 2.25 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 0.00 2.40 2.47 0.00 18 N 8.53 4.35 0.00 2.75 3.03 0.00 0.00 6.98 7.51 0.00 0.00 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 L 8.40 3.94 0.00 1.83 1.90 0.93 0.70 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 20 L 8.19 4.11 0.00 1.94 1.72 0.97 0.55 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 21 L 8.10 4.11 0.00 1.62 1.74 0.94 1.21 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 22 T 8.03 4.11 4.40 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 1.21 0.00 0.00 23 R 8.42 4.37 0.00 1.76 1.94 0.00 3.26 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 24 G 7.43 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 25 V 8.54 4.54 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 0.73 0.00 0.00 0.83 0.00 0.00 26 D 8.42 4.80 0.00 2.81 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 27 G 9.47 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 28 S 8.61 5.66 0.00 3.96 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 29 F 8.40 5.56 0.00 3.19 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 30 L 9.14 5.04 0.00 2.04 1.73 0.98 0.52 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 31 A 9.99 5.94 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 0.00 0.00 0.00 0.00 0.00 32 R 8.61 5.20 0.00 1.90 2.04 0.00 3.18 0.00 0.00 3.35 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 33 P 0.00 4.47 0.00 1.93 1.91 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 34 S 8.94 4.38 0.00 3.85 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 35 K 8.70 4.10 0.00 1.81 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.02 7.81 36 S 8.05 4.33 0.00 3.83 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 37 N 8.30 4.92 0.00 2.71 2.74 0.00 0.00 7.13 7.79 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 38 P 0.00 4.83 0.00 2.04 1.96 0.00 3.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 39 G 8.85 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 40 D 8.00 4.76 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 41 F 8.81 5.29 0.00 3.23 3.20 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 42 T 9.19 5.22 4.37 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 1.34 0.00 0.00 43 L 9.19 5.26 0.00 1.55 1.60 0.71 0.86 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 44 S 9.21 5.28 0.00 3.82 3.81 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 45 V 8.59 4.94 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 1.11 0.00 0.00 0.93 0.00 0.00 46 R 9.24 4.81 0.00 1.96 2.04 0.00 3.38 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 47 R 9.59 5.08 0.00 1.93 1.97 0.00 3.23 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 48 N 9.71 3.94 0.00 2.91 2.96 0.00 0.00 6.95 7.65 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 49 G 8.15 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 50 A 7.82 4.72 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 51 V 8.26 4.83 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 0.95 0.00 0.00 52 T 8.89 4.63 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 1.20 0.00 0.00 53 H 8.78 5.41 0.00 3.03 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.73 4.57 1.85 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 1.21 0.69 0.89 0.00 0.00 55 K 8.74 4.74 0.00 1.84 1.98 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.37 7.81 56 I 8.78 4.68 2.21 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.28 1.17 0.00 0.00 57 Q 8.83 4.29 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 58 N 8.90 4.68 0.00 2.57 2.77 0.00 0.00 7.28 7.29 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 59 T 8.11 3.73 3.81 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 0.25 0.00 0.00 60 G 7.84 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 61 D 7.45 4.73 0.00 2.69 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 62 Y 7.45 5.14 0.00 3.24 3.05 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 63 Y 9.47 5.89 0.00 3.02 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 64 D 8.39 4.83 0.00 3.02 2.97 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 65 L 7.90 4.81 0.00 1.69 1.67 0.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.21 3.30 0.00 3.18 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 67 G 8.62 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 0.00 0.00 0.00 0.00 68 G 8.20 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 69 E 8.50 3.62 0.00 1.44 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 1.47 1.47 0.00 70 K 7.61 4.69 0.00 1.25 1.03 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.91 1.20 7.81 71 F 8.88 4.87 0.00 3.15 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 72 A 8.89 4.23 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 73 T 7.50 4.55 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 1.12 0.00 0.00 74 L 7.26 3.28 0.00 0.58 1.09 0.22 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.76 4.21 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 76 E 8.06 3.89 0.00 2.24 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 2.46 2.39 0.00 77 L 6.94 2.44 0.00 1.22 1.38 0.72 0.77 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 78 V 7.23 3.29 1.02 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 0.19 0.00 0.00 0.17 0.00 0.00 79 Q 8.14 3.87 0.00 2.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 80 Y 7.89 3.89 0.00 3.24 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 81 Y 7.69 4.36 0.00 3.03 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 82 M 7.95 4.09 0.00 1.94 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 83 E 7.87 4.15 0.00 2.04 1.50 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 0.00 2.13 2.22 0.00 84 H 7.82 4.37 0.00 2.60 3.03 0.00 5.90 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 H 8.29 4.46 0.00 2.93 2.85 0.00 7.24 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.02 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 87 Q 8.21 4.29 0.00 2.31 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 88 L 7.87 4.55 0.00 1.89 1.57 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.29 4.96 0.00 1.71 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.45 7.81 90 E 8.97 4.33 0.00 2.17 1.90 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 2.32 2.36 0.00 91 K 8.57 3.98 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 92 N 8.01 4.53 0.00 2.81 2.97 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.11 4.07 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 0.00 0.00 0.00 94 D 8.96 4.49 0.00 2.74 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 95 V 8.49 4.28 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 0.81 0.00 0.00 0.94 0.00 0.00 96 I 8.41 4.54 1.83 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 1.09 0.89 0.85 0.00 0.00 97 E 8.56 4.46 0.00 1.80 1.72 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 2.09 2.23 0.00 98 L 8.08 3.90 0.00 1.14 0.46 0.55 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.35 4.02 0.00 1.49 1.53 0.00 1.24 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.75 0.21 7.81 100 Y 8.43 4.87 0.00 2.94 2.82 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 0.00 0.00 0.00 101 P 0.00 3.42 0.00 2.05 2.24 0.00 3.82 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 102 L 8.53 4.66 0.00 1.73 1.48 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.69 4.50 0.00 2.82 2.75 0.00 0.00 6.07 7.56 0.00 0.00 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.