NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.2831 8.3545 119.0644 54.5414 31.5992 177.4106 10 R 4.7502 8.7015 121.9912 55.0640 29.1502 182.4928 11 K 3.9132 7.1948 121.2114 55.0730 34.0946 175.4851 12 F 4.9496 7.4776 115.7092 57.2505 39.5256 176.5283 13 R 4.0130 8.7868 123.9675 58.1053 30.7326 177.6252 14 V 3.0461 7.3883 119.3207 61.8643 30.5955 173.1792 15 R 4.0935 7.5200 117.9600 59.1045 27.5924 177.0041 16 N 4.4456 7.9030 118.9550 55.4756 39.3499 176.8521 17 R 4.0844 7.4965 114.1626 56.5740 30.9682 175.1039 18 I 3.0776 8.1620 115.0004 61.1236 33.4452 174.4432 19 K 5.0188 6.7133 124.3957 57.3236 33.9415 175.3591 20 R 4.5286 7.6664 117.3933 55.0518 32.5593 175.5665 21 T 4.4348 8.3210 119.0203 64.5289 71.2518 177.0734 22 G 3.7246 8.2971 104.8688 45.3439 0.0000 173.3673 23 R 3.1150 9.1420 117.3508 57.0611 29.7214 174.0947 24 L 3.3762 8.0958 121.1464 54.9973 38.9911 174.0309 25 R 4.3866 8.1681 123.1544 55.2379 31.2082 175.7377 26 L 4.8670 8.2585 128.1634 53.8230 41.3707 175.2966 27 S 4.4716 9.1980 120.2279 57.1414 64.2908 172.5683 28 V 4.9530 8.0044 124.4896 61.2267 34.2478 174.0758 29 F 5.3035 8.9192 129.5868 56.6346 41.9690 174.0490 30 R 4.7865 8.7256 124.0015 54.4941 32.5746 174.5976 31 S 4.3641 8.5625 119.3263 57.5069 65.6154 176.0800 32 L 3.6573 7.3201 127.2917 56.9285 41.9182 177.5340 33 K 4.5426 7.8921 112.9479 56.3002 33.8991 175.1102 34 H 4.6065 9.6279 115.7341 56.8054 31.8141 171.2837 35 I 4.9001 7.8520 116.2029 62.1185 40.9955 174.2473 36 Y 4.9804 8.3174 128.3756 57.4416 41.1097 174.1317 37 A 4.8403 7.8092 114.7897 52.0542 23.2851 175.8853 38 Q 5.0283 8.7315 121.5622 54.5107 33.1699 175.1777 39 I 4.3883 8.4722 122.8674 60.1628 37.5103 173.8588 40 I 4.4371 8.9867 127.3842 59.7307 36.2709 172.9975 41 D 4.3358 8.7716 124.0544 53.9257 41.6125 175.0410 42 D 4.7678 8.7972 135.0000 54.3558 40.8077 178.0998 43 E 3.6865 8.5230 117.8566 56.8247 26.2820 176.5549 44 K 4.8068 7.7080 129.8708 54.7217 32.1908 173.3578 45 G 3.7788 7.7223 109.0391 45.2034 0.0000 173.7508 46 V 3.9662 7.7370 120.5156 62.2524 32.4862 175.3319 47 T 4.4361 8.0620 123.1600 61.6335 67.4648 174.4013 48 L 4.1262 8.2464 126.4808 57.2762 42.1934 178.1044 49 V 4.7672 7.5035 116.2289 61.1685 35.4427 173.6105 50 S 5.2809 8.4706 117.5644 57.0734 66.9787 173.5987 51 A 4.4451 8.7021 121.8586 51.4992 21.7782 176.0141 52 S 4.3188 8.5384 117.1610 58.8004 65.2999 175.4503 53 S 4.1371 7.9778 120.0799 59.6736 59.5929 176.5358 54 L 4.3282 9.4287 124.2708 56.2510 42.1709 178.0757 55 A 3.8546 7.7804 119.9165 53.2364 18.4951 177.1572 56 L 4.3340 7.6655 116.6075 54.2085 42.8069 177.2685 57 K 4.2424 7.2692 128.4194 53.1046 35.1636 174.1516 58 L 3.3608 7.9337 117.8902 55.2596 41.6054 177.1633 59 K 4.3098 8.3427 117.1701 56.4732 31.4480 177.9394 60 G 4.0541 8.4696 113.3458 46.0477 0.0000 172.8776 61 N 4.3705 7.5247 118.3362 51.7563 39.2873 174.6704 62 K 4.5152 7.8177 121.6984 55.5292 30.6947 177.2143 63 T 3.8932 8.1081 112.4039 65.7680 68.5020 175.9127 64 E 4.0328 9.3309 122.3681 57.6718 29.5492 178.4867 65 V 3.7621 7.5590 117.6036 65.1798 31.6496 177.5408 66 A 3.9402 8.6937 121.2823 55.5934 18.4036 179.3474 67 R 3.7743 7.6671 115.6443 59.8993 30.1200 178.5740 68 Q 3.9949 7.9129 116.3241 59.3686 28.8601 179.8344 69 V 3.6999 7.7122 119.4498 64.9086 31.1653 178.1249 70 G 3.9484 8.3394 106.8202 47.9209 0.0000 175.5484 71 R 3.9138 7.9045 120.1927 58.6061 29.8525 178.7206 72 A 3.9619 7.7698 119.5010 55.4631 18.5071 179.1916 73 L 4.0465 8.3836 118.6460 58.7283 42.0680 177.8458 74 A 3.9063 8.4137 118.9851 55.4662 17.7963 178.6769 75 E 3.5042 8.0854 120.8163 58.7757 30.2236 179.2209 76 K 4.3377 7.4971 115.3887 56.6681 32.2170 176.2929 77 A 4.4975 8.6284 121.9918 53.7337 20.3300 178.1808 78 L 3.7144 7.3952 111.5463 59.5680 42.1525 178.5470 79 A 4.1429 8.0378 123.7367 53.7718 18.7385 177.6751 80 L 4.5194 7.8262 117.5345 53.9575 43.5892 176.5356 81 G 4.2626 7.9385 108.4706 46.3867 0.0000 173.3950 82 I 4.6707 7.6918 118.4983 58.8458 40.8342 175.2310 83 K 4.9221 8.1477 125.8625 56.3247 34.3258 174.7354 84 Q 4.5250 7.6397 117.0595 55.6601 32.3912 172.1501 85 V 4.6880 7.8226 121.6067 60.2705 34.8400 176.9712 86 A 4.5513 8.8232 128.5004 52.1585 22.7419 175.3449 87 F 5.3024 8.7979 122.9355 56.9262 41.5447 175.3956 88 D 4.1868 6.7098 123.6688 52.1508 43.4694 174.6436 89 R 3.8395 8.1944 125.8855 55.2515 31.7005 175.6427 90 G 3.9010 8.3044 112.6031 45.5310 0.0000 173.2140 91 P 4.4476 0.0000 0.0000 63.3580 31.9793 176.3939 92 Y 3.3982 9.3501 110.6171 58.3627 37.2325 175.9438 93 K 2.7144 5.7183 126.3878 54.9455 30.3521 172.1283 94 Y 4.1447 6.9018 123.9902 58.5666 38.4841 175.0287 95 H 4.1454 8.6264 124.6275 55.7698 34.0265 176.6786 96 G 3.7380 8.1939 112.6802 46.4263 0.0000 175.2126 97 R 3.8459 9.5158 112.6981 57.5460 30.3146 177.6314 98 V 3.0900 8.0281 119.3582 60.9776 29.8614 176.8736 99 K 4.1058 9.4211 125.2250 58.7768 32.5040 177.0802 100 A 3.8967 6.9229 124.8426 52.4157 16.3087 176.4785 101 L 4.6618 8.1321 122.5694 52.7898 43.9557 177.3253 102 A 3.9213 8.9628 123.6927 53.5705 17.8912 181.5264 103 E 3.5902 8.2670 117.1454 57.5885 31.0084 178.4175 104 G 3.6549 7.6470 106.8162 46.3348 0.0000 172.9294 105 A 4.6967 8.4659 128.0576 51.9517 19.5355 177.2004 106 R 3.9710 7.9470 121.3084 58.5573 30.6011 176.0695 107 E 3.9314 8.0027 118.0967 57.9692 29.9431 173.9955 108 G 3.8107 8.5811 114.2239 45.4582 0.0000 173.2956 *109 G 3.7078 7.8284 111.9162 45.7717 0.0000 172.4660 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 9 R 8.35 4.28 0.00 1.85 1.89 0.00 3.38 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 1.45 1.20 0.00 10 R 8.70 4.75 0.00 2.02 1.73 0.00 3.27 0.00 0.00 3.25 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.00 11 K 7.19 3.91 0.00 1.85 1.84 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 0.99 7.81 12 F 7.48 4.95 0.00 3.04 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 13 R 8.79 4.01 0.00 1.88 2.08 0.00 3.35 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 14 V 7.39 3.05 2.13 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 0.88 0.00 0.00 0.97 0.00 0.00 15 R 7.52 4.09 0.00 1.91 2.29 0.00 3.47 0.00 0.00 3.88 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 16 N 7.90 4.45 0.00 2.39 2.59 0.00 0.00 6.86 7.81 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 17 R 7.50 4.08 0.00 1.92 1.95 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 18 I 8.16 3.08 1.85 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 1.28 0.66 0.90 0.00 0.00 19 K 6.71 5.02 0.00 1.72 1.95 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.20 7.81 20 R 7.67 4.53 0.00 1.76 1.80 0.00 3.33 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 21 T 8.32 4.43 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 22 G 8.30 3.72 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 0.00 0.00 0.00 23 R 9.14 3.12 0.00 1.85 1.89 0.00 3.32 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 24 L 8.10 3.38 0.00 1.84 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.17 4.39 0.00 1.94 1.85 0.00 3.07 0.00 0.00 3.60 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 L 8.26 4.87 0.00 1.73 1.95 1.07 1.59 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 27 S 9.20 4.47 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 4.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.81 0.00 0.00 29 F 8.92 5.30 0.00 2.93 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 30 R 8.73 4.79 0.00 1.80 1.75 0.00 3.39 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 31 S 8.56 4.36 0.00 3.11 3.44 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 32 L 7.32 3.66 0.00 1.71 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.89 4.54 0.00 1.74 1.70 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.35 7.81 34 H 9.63 4.61 0.00 3.25 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.85 4.90 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.01 0.92 0.00 0.00 36 Y 8.32 4.98 0.00 3.06 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 37 A 7.81 4.84 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 38 Q 8.73 5.03 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 39 I 8.47 4.39 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.93 0.00 0.00 40 I 8.99 4.44 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.95 0.00 0.00 41 D 8.77 4.34 0.00 2.84 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 42 D 8.80 4.77 0.00 2.68 2.45 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 0.00 0.00 0.00 0.00 43 E 8.52 3.69 0.00 2.03 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 0.00 2.24 2.22 0.00 44 K 7.71 4.81 0.00 1.93 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.16 7.81 45 G 7.72 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 46 V 7.74 3.97 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 1.02 0.00 0.00 0.93 0.00 0.00 47 T 8.06 4.44 4.26 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 1.24 0.00 0.00 48 L 8.25 4.13 0.00 1.57 1.77 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.50 4.77 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 1.06 0.00 0.00 1.05 0.00 0.00 50 S 8.47 5.28 0.00 3.89 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 51 A 8.70 4.45 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 52 S 8.54 4.32 0.00 3.53 3.57 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 53 S 7.98 4.14 0.00 4.24 3.36 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 54 L 9.43 4.33 0.00 1.76 1.70 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.78 3.85 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 56 L 7.67 4.33 0.00 1.63 1.82 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.27 4.24 0.00 2.03 1.58 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.17 1.15 7.81 58 L 7.93 3.36 0.00 1.69 1.55 0.90 0.84 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 59 K 8.34 4.31 0.00 1.72 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 60 G 8.47 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 0.00 0.00 0.00 61 N 7.52 4.37 0.00 2.68 2.67 0.00 0.00 7.15 6.68 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 62 K 7.82 4.52 0.00 1.90 1.78 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.08 7.81 63 T 8.11 3.89 4.21 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 1.17 0.00 0.00 64 E 9.33 4.03 0.00 2.04 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 2.30 0.00 65 V 7.56 3.76 2.15 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 0.97 0.00 0.00 0.95 0.00 0.00 66 A 8.69 3.94 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 67 R 7.67 3.77 0.00 2.02 1.99 0.00 3.31 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 68 Q 7.91 3.99 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 69 V 7.71 3.70 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 1.09 0.00 0.00 0.98 0.00 0.00 70 G 8.34 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 71 R 7.90 3.91 0.00 2.17 2.01 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 72 A 7.77 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.05 0.00 1.74 1.72 1.02 1.03 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 74 A 8.41 3.91 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 75 E 8.09 3.50 0.00 1.97 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 0.00 2.46 2.39 0.00 76 K 7.50 4.34 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 77 A 8.63 4.50 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 78 L 7.40 3.71 0.00 1.72 1.62 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.04 4.14 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 0.00 0.00 0.00 0.00 0.00 80 L 7.83 4.52 0.00 1.55 1.80 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.94 4.26 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 0.00 82 I 7.69 4.67 1.89 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 1.42 1.00 0.93 0.00 0.00 83 K 8.15 4.92 0.00 1.75 1.81 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.20 7.81 84 Q 7.64 4.53 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 85 V 7.82 4.69 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 0.79 0.00 0.00 0.99 0.00 0.00 86 A 8.82 4.55 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 5.30 0.00 2.98 2.99 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 0.00 0.00 0.00 0.00 88 D 6.71 4.19 0.00 2.50 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.84 0.00 1.86 2.09 0.00 3.63 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 90 G 8.30 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 91 P 0.00 4.45 0.00 1.74 1.87 0.00 3.35 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 92 Y 9.35 3.40 0.00 3.07 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 93 K 5.72 2.71 0.00 1.68 1.90 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 1.25 7.81 94 Y 6.90 4.14 0.00 2.82 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 95 H 8.63 4.15 0.00 2.99 3.10 0.00 6.13 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 96 G 8.19 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 97 R 9.52 3.85 0.00 1.93 2.07 0.00 3.18 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 98 V 8.03 3.09 1.63 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 0.68 0.00 0.00 0.70 0.00 0.00 99 K 9.42 4.11 0.00 1.90 2.04 0.00 2.00 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 2.06 1.90 7.81 100 A 6.92 3.90 1.22 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 0.00 101 L 8.13 4.66 0.00 1.75 1.74 0.95 0.97 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 0.00 102 A 8.96 3.92 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 0.00 103 E 8.27 3.59 0.00 2.01 2.03 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 2.31 2.32 0.00 104 G 7.65 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 0.00 0.00 0.00 105 A 8.47 4.70 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 0.00 106 R 7.95 3.97 0.00 1.84 1.98 0.00 3.38 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 107 E 8.00 3.93 0.00 2.01 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 0.00 2.12 2.28 0.00 108 G 8.58 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 0.00 0.00 0.00 *109 G 7.83 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.