NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 S 4.4166 8.3349 115.2997 57.7975 64.3120 174.2930 37 Y 4.6657 8.4565 115.9176 57.4251 40.2086 176.5694 38 S 4.1651 9.1173 118.0514 62.0090 63.7673 175.7415 39 I 3.4977 7.7856 121.7459 64.6997 36.7034 177.6299 40 Y 4.2142 7.0491 116.4919 61.4228 38.0014 179.2358 41 V 3.8424 8.4045 120.0911 65.0828 31.2553 177.7997 42 Y 3.8607 8.2358 120.1092 60.4335 38.5447 177.5990 43 K 4.0411 8.4567 119.8434 59.7297 32.2772 179.4850 44 V 3.6430 8.5979 118.7358 65.5645 31.3328 177.7869 45 L 3.8393 7.9444 120.5100 58.0569 41.7340 179.0548 46 K 3.7292 7.7057 117.2165 60.2175 32.3856 178.4155 47 Q 4.0885 7.6792 120.0545 58.2527 28.9695 177.8000 48 V 4.3462 7.3484 118.4330 62.5486 33.0714 175.8804 49 H 4.7426 8.9948 118.5907 53.2483 29.8089 171.8839 50 P 4.5558 0.0000 0.0000 62.0488 31.0549 177.3465 51 D 4.5659 7.8788 114.0274 54.0751 43.2006 174.7000 52 T 4.3809 7.6015 118.1847 61.8637 69.6191 174.8624 53 G 3.9640 8.3808 116.0488 44.4940 0.0000 171.9183 54 I 4.5910 7.7977 117.9800 58.0408 41.0764 175.4230 55 S 4.4593 8.4587 121.8566 58.1299 65.1764 175.5834 56 S 4.1499 8.5165 118.9301 61.7458 62.5474 176.9341 57 K 3.9784 8.0492 121.6620 59.3914 32.0105 178.5916 58 A 4.0838 7.9672 121.0455 55.1664 18.3040 179.5414 59 M 4.1839 8.5976 120.3913 58.9638 31.9552 179.6851 *60 S 4.1509 8.1188 119.0251 63.3644 62.3893 179.4071 61 I 3.9126 7.5231 123.5483 64.6224 36.8435 178.2797 62 M 4.0694 8.0322 119.2973 58.7788 31.8140 178.6833 63 N 4.4066 8.4384 116.3915 56.4144 38.6088 177.6771 64 S 4.1639 8.1471 116.6840 61.3852 62.8887 176.4748 65 F 4.0458 8.5481 123.6463 61.2673 39.0557 177.3125 66 V 3.2521 8.0064 117.9216 66.0845 31.1725 177.7850 67 N 4.2456 7.9980 116.1593 56.4998 38.2296 176.3112 68 D 4.3010 8.3364 120.0667 57.4960 41.2926 178.2449 69 I 3.5722 7.6177 113.6028 63.0654 37.4539 178.1338 70 F 3.8446 7.7672 123.4254 61.3954 39.3507 176.7232 71 E 4.0945 8.5962 118.4210 59.5541 29.2742 179.7348 72 R 3.8196 8.1588 118.0598 59.4094 30.1187 179.2523 73 I 3.5734 7.6609 119.2833 64.3063 37.0590 178.4833 74 A 3.8440 7.9956 121.9137 54.4784 18.0662 180.0810 75 G 3.4153 7.7389 104.5668 48.0773 0.0000 175.9357 76 E 3.8558 8.0020 121.4904 58.6829 29.4595 179.0759 77 A 3.8477 8.0033 121.0648 55.4547 18.5378 179.6742 78 S 3.8484 8.0004 111.3974 61.2738 62.3609 176.3801 79 R 3.4341 7.6874 121.4081 59.2195 29.8560 178.4476 80 L 3.7973 8.1345 118.8262 57.6729 41.4791 179.4915 81 A 3.9771 7.7496 120.6935 55.4000 18.3259 179.4630 82 H 4.2512 7.8095 114.3446 59.1999 28.5391 177.5248 83 Y 4.4931 7.6421 117.6212 60.8374 37.7374 177.6623 84 N 4.8125 7.8147 114.5241 53.0880 40.4981 175.7103 85 K 3.9500 7.6152 117.4133 57.9062 30.2134 175.0772 86 R 4.6709 8.1605 118.3879 54.5135 32.5117 177.2338 87 S 4.4637 8.6219 115.6481 59.0248 63.9140 173.8103 88 T 4.4752 7.5031 115.2709 60.2374 69.6825 173.3902 89 I 4.0283 8.1428 129.0918 60.4955 36.5831 175.9008 90 T 4.3408 8.5866 123.5520 62.3654 69.5824 176.5153 91 S 4.2104 8.3861 116.8925 61.2008 62.8607 176.2132 92 R 3.9806 7.9506 121.8745 58.7314 29.7350 177.7614 93 E 4.0629 7.9594 118.4907 59.0075 29.7442 178.7018 94 I 3.6281 7.4942 119.4450 64.1040 37.1570 178.1721 95 Q 3.8868 8.0689 120.4459 59.6547 29.0010 178.3577 96 T 3.8655 7.6272 116.5229 66.4468 68.3403 176.5111 97 A 3.9316 8.3008 123.1693 55.2148 18.4051 179.8757 98 V 3.4885 7.8262 116.7228 66.0953 31.3119 178.5535 99 R 3.9400 7.7766 117.1624 59.1291 29.9819 178.7310 100 L 4.1335 7.8527 117.8404 57.7531 41.7387 179.0894 101 L 4.1776 7.9727 117.7147 55.8271 42.2284 177.4782 102 L 4.4515 7.2276 117.8138 52.6353 43.0131 174.8685 103 P 4.3454 0.0000 0.0000 63.3148 30.4549 177.5826 104 G 3.4730 6.8641 102.8046 45.9157 0.0000 175.2647 105 E 4.4316 7.9629 120.3037 56.3026 30.9785 178.0439 106 L 4.0085 7.8868 119.6680 57.6382 42.1615 178.3188 107 A 4.1997 8.1116 121.0239 54.6252 18.6226 179.5377 108 K 3.8954 7.4322 113.9734 59.9389 32.0516 179.3045 109 H 4.0674 8.0895 115.3698 58.9505 28.7543 177.5147 110 A 3.8833 7.6225 121.3188 55.3775 18.0457 179.9947 111 V 3.4971 7.8298 116.5321 66.0444 31.6352 178.0153 112 S 4.0166 7.9931 112.8967 61.5494 62.1932 175.5504 113 E 4.0098 8.9805 122.4608 59.4491 29.2526 179.2173 114 G 3.5691 8.0706 105.4226 48.0948 0.0000 175.9361 115 T 3.8736 8.3874 118.8090 66.1070 68.4682 176.8761 116 K 3.9071 8.7156 120.5255 59.4500 32.2038 179.1444 117 A 3.9823 8.3292 121.1400 55.1908 18.3249 179.6820 118 V 3.5552 8.3120 117.0607 66.6552 31.6264 178.3056 119 T 3.8906 8.2352 115.6418 66.4004 67.7769 176.3862 120 K 3.8944 8.1398 121.4782 59.7327 32.0641 177.8318 121 Y 4.2552 7.7264 118.2075 61.2792 38.7159 178.2472 122 T 3.9545 8.0219 115.2044 66.5920 68.6609 176.6063 123 S 4.3167 7.8949 114.8184 60.9274 64.6808 176.4177 124 S 4.4765 8.7772 119.7797 57.6559 58.9047 174.4639 125 K 3.9883 7.6949 123.8002 56.4973 31.8862 177.3931 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 36 S 8.33 4.42 0.00 3.88 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 0.00 37 Y 8.46 4.67 0.00 3.33 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 38 S 9.12 4.17 0.00 3.88 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 39 I 7.79 3.50 0.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.37 0.00 0.00 40 Y 7.05 4.21 0.00 3.31 3.15 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 0.00 0.00 0.00 0.00 41 V 8.40 3.84 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 1.02 0.00 0.00 0.98 0.00 0.00 42 Y 8.24 3.86 0.00 3.24 3.10 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 43 K 8.46 4.04 0.00 2.08 1.94 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.58 7.81 44 V 8.60 3.64 2.26 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 1.02 0.00 0.00 1.06 0.00 0.00 45 L 7.94 3.84 0.00 1.74 1.54 0.79 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.71 3.73 0.00 1.97 1.92 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.48 7.81 47 Q 7.68 4.09 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 48 V 7.35 4.35 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 0.80 0.00 0.00 0.94 0.00 0.00 49 H 8.99 4.74 0.00 3.05 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.56 0.00 2.04 2.09 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 51 D 7.88 4.57 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.38 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 53 G 8.38 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 54 I 7.80 4.59 1.81 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 1.49 0.94 0.96 0.00 0.00 55 S 8.46 4.46 0.00 4.10 3.99 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 56 S 8.52 4.15 0.00 3.90 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 57 K 8.05 3.98 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 58 A 7.97 4.08 1.38 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 0.00 0.00 0.00 59 M 8.60 4.18 0.00 2.07 2.40 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 *60 S 8.12 4.15 0.00 3.74 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 61 I 7.52 3.91 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.93 0.00 0.00 62 M 8.03 4.07 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 63 N 8.44 4.41 0.00 3.08 2.96 0.00 0.00 7.05 7.16 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 64 S 8.15 4.16 0.00 4.13 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 65 F 8.55 4.05 0.00 3.12 3.25 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 66 V 8.01 3.25 1.49 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 -0.16 0.00 0.00 0.95 0.00 0.00 67 N 8.00 4.25 0.00 2.79 2.82 0.00 0.00 6.70 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 68 D 8.34 4.30 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.57 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.25 0.21 0.00 0.00 70 F 7.77 3.84 0.00 3.06 3.25 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 71 E 8.60 4.09 0.00 2.30 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 2.48 2.69 0.00 72 R 8.16 3.82 0.00 1.91 1.90 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 73 I 7.66 3.57 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.75 0.00 0.00 74 A 8.00 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.74 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.86 0.00 1.93 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 2.28 2.43 0.00 77 A 8.00 3.85 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 S 8.00 3.85 0.00 3.93 3.85 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 79 R 7.69 3.43 0.00 1.88 1.73 0.00 3.30 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.34 0.00 80 L 8.13 3.80 0.00 1.78 1.64 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.75 3.98 1.33 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 0.00 0.00 82 H 7.81 4.25 0.00 3.14 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.64 4.49 0.00 3.09 2.93 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 84 N 7.81 4.81 0.00 2.81 2.85 0.00 0.00 7.33 7.97 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 85 K 7.62 3.95 0.00 1.85 1.94 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 86 R 8.16 4.67 0.00 1.74 1.82 0.00 3.32 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 1.82 1.67 0.00 87 S 8.62 4.46 0.00 3.98 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 88 T 7.50 4.48 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 89 I 8.14 4.03 1.83 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 1.33 0.63 0.84 0.00 0.00 90 T 8.59 4.34 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 91 S 8.39 4.21 0.00 4.02 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 92 R 7.95 3.98 0.00 1.89 1.95 0.00 3.16 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 93 E 7.96 4.06 0.00 2.28 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 2.24 2.33 0.00 94 I 7.49 3.63 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.88 0.82 0.00 0.00 95 Q 8.07 3.89 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 96 T 7.63 3.87 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 97 A 8.30 3.93 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 98 V 7.83 3.49 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 1.01 0.00 0.00 0.95 0.00 0.00 99 R 7.78 3.94 0.00 2.01 1.97 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 100 L 7.85 4.13 0.00 1.76 1.72 1.01 0.89 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 0.00 101 L 7.97 4.18 0.00 1.57 1.68 0.87 1.21 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 0.00 102 L 7.23 4.45 0.00 1.87 1.59 0.90 1.06 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 0.00 103 P 0.00 4.35 0.00 2.18 2.00 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 104 G 6.86 3.47 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 0.00 0.00 0.00 0.00 105 E 7.96 4.43 0.00 2.10 1.95 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 2.32 2.44 0.00 106 L 7.89 4.01 0.00 1.80 1.80 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.11 4.20 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 0.00 108 K 7.43 3.90 0.00 2.04 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 109 H 8.09 4.07 0.00 3.24 3.38 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.62 3.88 1.44 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 0.00 0.00 111 V 7.83 3.50 2.23 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 0.94 0.00 0.00 1.03 0.00 0.00 112 S 7.99 4.02 0.00 3.92 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 0.00 113 E 8.98 4.01 0.00 2.30 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 2.34 2.41 0.00 114 G 8.07 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 0.00 0.00 0.00 115 T 8.39 3.87 4.35 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 1.22 0.00 0.00 116 K 8.72 3.91 0.00 2.01 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 117 A 8.33 3.98 1.38 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 0.00 0.00 0.00 118 V 8.31 3.56 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 1.06 0.00 0.00 0.99 0.00 0.00 119 T 8.24 3.89 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 1.23 0.00 0.00 120 K 8.14 3.89 0.00 1.98 1.99 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 121 Y 7.73 4.26 0.00 3.03 3.19 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 0.00 122 T 8.02 3.95 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 1.23 0.00 0.00 123 S 7.89 4.32 0.00 4.03 3.99 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 0.00 124 S 8.78 4.48 0.00 3.93 3.85 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 0.00 125 K 7.69 3.99 0.00 1.68 1.64 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.61 7.81 * Residues marked with a * may have inaccurate shift predictions.