NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.5969 8.2227 120.2034 54.1579 43.6495 177.0040 11 L 3.7179 8.0407 121.2256 57.6312 42.2601 176.9404 12 H 4.2616 9.1567 119.0350 59.6514 29.9976 176.1695 13 E 4.0034 8.1897 119.4790 59.6389 29.1184 179.2976 14 I 3.6852 7.7430 118.8456 64.1061 36.9642 177.8789 15 L 4.0176 7.7520 119.1902 56.1216 41.7067 181.7865 16 H 3.8718 8.6725 111.1064 56.2507 30.0266 175.6553 17 E 4.0594 6.5555 124.7720 59.4724 30.2106 178.6982 18 A 4.5559 7.9849 116.5866 52.0157 21.5564 176.3431 19 V 4.5387 7.1537 113.3112 58.5931 34.0966 173.9422 20 P 4.4165 0.0000 0.0000 63.0624 31.6756 175.5847 21 L 4.8515 8.0246 119.0762 52.2106 45.2357 177.0273 22 D 4.6054 8.9377 123.1084 52.7730 41.5990 177.4188 23 A 4.0070 8.4673 121.7774 55.5226 18.2021 179.8400 24 N 4.3113 8.1300 114.3714 56.3993 38.6731 177.2640 25 E 3.9325 9.4122 120.8721 59.3698 29.4994 179.3035 26 R 3.8662 8.3316 118.9441 59.5696 29.6340 178.0037 27 E 3.9547 8.1508 118.2237 59.9502 29.5626 179.7781 28 I 3.8519 7.6002 119.1927 64.2529 37.0785 178.5455 29 L 4.0758 8.3633 120.3297 57.7026 41.4056 179.3508 30 E 4.0217 8.5259 118.9617 59.2752 29.2006 179.3798 31 L 4.0466 7.5956 118.1163 57.8038 41.7256 179.7242 32 K 4.0965 8.2606 118.4932 59.1874 31.9592 179.0123 33 E 4.1026 8.6437 120.1003 59.4377 29.6218 178.1038 34 D 4.3813 8.2455 117.7946 57.6107 41.1508 178.4410 35 A 4.0191 7.8018 120.8863 55.1042 18.3857 179.4306 36 F 4.2001 8.4464 119.0320 61.3066 39.3284 177.0097 37 A 3.7119 8.4698 120.8239 55.3046 18.1121 179.7146 38 Q 3.8330 8.0583 116.2754 58.9684 28.8114 178.7797 39 R 4.1385 7.7447 121.0196 58.9113 30.1503 178.2786 40 R 3.6702 7.8130 118.7551 59.4718 29.9214 178.3438 41 R 3.9862 8.0652 118.7171 59.2678 29.9134 178.2547 42 E 3.9441 8.2288 117.4797 59.5942 29.4248 179.3391 43 I 3.7264 7.7473 120.8789 63.9209 37.1968 177.9551 44 E 3.9201 8.5901 119.8325 59.8694 29.2632 179.5258 45 T 3.8229 8.3960 115.6729 66.9175 68.5823 176.7068 46 R 3.8970 7.7352 119.3469 59.1411 30.0174 178.9678 47 L 3.9311 8.2321 120.3360 58.1708 42.0522 179.0850 48 R 3.8730 8.4176 118.2129 59.2695 30.0309 178.8607 49 A 3.9303 8.1796 120.2042 55.0760 18.3371 179.4541 50 A 3.9006 8.0696 119.2203 55.4320 18.3916 179.5377 51 N 4.3325 8.3786 115.1531 56.3959 38.5880 177.7981 52 G 3.6073 8.2841 107.2020 47.8479 0.0000 175.8733 53 K 3.9610 8.0388 121.1670 58.9615 31.9708 179.4047 54 L 3.8508 8.2520 119.4441 57.7538 41.4879 179.4045 55 A 3.9622 8.1419 120.7294 55.2055 18.2316 179.4535 56 D 4.2134 8.2560 117.0856 57.4320 40.9042 178.7955 57 A 3.9384 7.9336 121.0996 55.4023 18.1857 179.8326 58 I 3.7604 7.8608 117.0916 64.4085 37.2277 178.2383 59 A 4.0985 8.0189 120.9852 54.8631 18.1957 179.2682 60 K 4.3127 7.5923 117.1994 58.2547 32.5079 176.7046 61 N 4.5020 7.9665 118.1371 52.4266 40.7945 173.0755 62 P 4.5806 0.0000 0.0000 60.9109 30.1225 174.8927 63 A 4.6673 7.1087 122.2669 51.1279 22.5874 177.1685 64 W 4.1098 8.6779 130.3698 57.0185 28.9970 176.3975 65 S 4.7466 7.8041 120.1427 55.7627 66.1088 172.7753 66 P 4.2506 0.0000 0.0000 66.0844 30.8914 178.7998 67 E 3.9280 8.0204 116.6879 59.2573 29.3948 179.3566 68 V 3.2494 7.4687 118.1112 65.6180 31.4751 177.6319 69 E 3.9865 8.2010 119.0956 59.3533 29.5452 178.7483 70 A 3.9751 8.0753 120.4848 55.1189 18.4788 179.4982 71 A 3.9010 7.9357 119.3492 55.5009 18.3953 179.8526 72 T 3.8037 7.9788 114.4556 67.0473 68.5403 176.7755 73 Q 4.9193 8.0888 121.1290 58.5442 28.6940 178.7450 74 E 3.9644 8.1056 119.6991 59.2868 29.4839 179.5083 75 V 3.5775 7.8703 118.2117 66.1039 31.6141 177.7641 76 E 3.9765 8.5781 118.7193 59.6252 29.2498 179.5076 77 R 3.9162 8.1321 118.3877 59.2733 30.0636 178.4322 78 A 3.9969 8.2567 120.5475 54.9737 18.5183 179.4776 79 A 4.0461 8.3217 119.6326 55.1527 18.4094 180.2017 80 G 3.6142 8.1291 104.2701 48.0622 0.0000 175.5487 81 D 4.4243 8.4359 122.1577 57.1580 40.8732 179.0069 82 L 4.0629 8.2385 119.5397 57.9878 41.6714 179.7585 83 Q 4.0302 7.6764 116.7918 58.7880 28.6320 178.3741 84 R 3.8825 8.1805 119.5937 59.5348 30.1152 178.1889 85 A 4.1015 8.5572 120.6361 55.6040 18.5081 179.5372 86 T 3.7173 8.1135 114.0383 66.8598 68.2666 176.7684 87 L 4.0493 7.7883 120.0874 57.8167 41.7100 179.5939 88 V 3.6809 8.1397 118.5226 66.4764 31.2181 177.4551 89 H 4.3837 7.9933 117.7375 58.8854 29.6684 177.2546 90 V 3.7268 7.4932 112.8540 64.4024 31.5963 178.3107 91 F 4.3538 8.1957 117.3785 60.3109 38.4237 178.2356 92 E 3.8623 8.1436 115.5326 56.9530 29.1917 178.8501 *94 R 3.3793 8.0121 121.2022 56.0584 31.6834 177.3783 95 A 4.0479 7.6995 119.3072 54.5411 18.4353 178.5309 96 G 3.7178 7.4750 103.0517 46.8227 0.0000 173.8954 97 L 4.5156 7.2300 120.0723 53.0197 43.0578 176.9126 98 K 4.0393 9.2985 122.3324 56.0356 33.0671 176.3378 99 P 4.1913 0.0000 0.0000 66.0153 31.0664 178.6672 100 E 4.0504 8.0529 113.9948 58.7024 30.0138 177.5493 101 H 4.8484 8.4039 116.0945 55.9107 29.5044 176.9527 102 R 3.9756 7.7982 120.9250 58.8788 29.9813 176.7152 103 P 4.2420 0.0000 0.0000 65.8870 31.1195 178.4357 104 A 4.0405 7.9641 118.8751 55.0144 18.3347 178.9079 105 Y 3.9279 7.6828 117.1512 61.0673 38.9508 177.8549 106 D 4.3082 8.5810 120.2131 57.4110 40.9010 178.9030 107 R 3.8120 8.0175 119.0476 59.4143 30.0344 178.7887 108 V 3.4687 7.3633 118.0680 65.7043 31.4271 177.6807 109 L 3.6765 7.6867 120.1379 58.1171 41.8532 178.7882 110 I 3.6071 8.1084 119.9559 64.4680 36.9979 177.6473 111 D 4.2586 8.0835 118.3273 57.3649 40.9533 177.9614 112 A 3.9413 8.1660 121.3678 55.5147 18.1588 179.6465 113 L 3.9058 7.8214 115.8738 57.8661 41.8713 179.5729 114 R 4.0345 8.2293 118.8933 59.3855 30.0336 178.7882 115 R 3.9987 8.3514 118.3702 59.1678 29.9014 179.1468 116 G 3.7675 8.1579 104.3467 46.8277 0.0000 174.6609 117 S 4.5394 7.8986 114.6917 58.7844 63.6230 174.1766 118 Q 4.2013 8.0456 127.1403 56.2795 28.6638 175.2720 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 10 D 8.22 4.60 0.00 2.75 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 11 L 8.04 3.72 0.00 1.74 1.71 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 H 9.16 4.26 0.00 3.26 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.19 4.00 0.00 2.17 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 2.47 2.59 0.00 14 I 7.74 3.69 1.99 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 1.50 0.65 0.83 0.00 0.00 15 L 7.75 4.02 0.00 1.54 1.56 0.75 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.67 3.87 0.00 3.52 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 6.56 4.06 0.00 2.06 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 2.35 2.36 0.00 18 A 7.98 4.56 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 19 V 7.15 4.54 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 0.91 0.00 0.00 0.96 0.00 0.00 20 P 0.00 4.42 0.00 2.16 2.08 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 21 L 8.02 4.85 0.00 1.59 1.55 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.94 4.61 0.00 2.96 2.79 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 0.00 0.00 0.00 0.00 23 A 8.47 4.01 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 24 N 8.13 4.31 0.00 2.94 2.88 0.00 0.00 7.13 7.66 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 25 E 9.41 3.93 0.00 2.10 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 2.50 2.47 0.00 26 R 8.33 3.87 0.00 1.89 2.07 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 27 E 8.15 3.95 0.00 2.24 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 2.34 2.58 0.00 28 I 7.60 3.85 1.87 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 1.73 1.19 0.91 0.00 0.00 29 L 8.36 4.08 0.00 1.68 1.75 0.88 0.78 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 30 E 8.53 4.02 0.00 2.16 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 2.36 2.58 0.00 31 L 7.60 4.05 0.00 1.92 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.26 4.10 0.00 2.04 1.96 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 33 E 8.64 4.10 0.00 2.34 2.18 0.00 0.00 0.00 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 2.49 0.00 34 D 8.25 4.38 0.00 2.87 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 35 A 7.80 4.02 1.45 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 0.00 0.00 36 F 8.45 4.20 0.00 2.80 3.06 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 0.00 0.00 0.00 0.00 37 A 8.47 3.71 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 38 Q 8.06 3.83 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 39 R 7.74 4.14 0.00 1.95 2.06 0.00 3.20 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 40 R 7.81 3.67 0.00 1.20 1.69 0.00 3.04 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 41 R 8.07 3.99 0.00 1.90 2.00 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 42 E 8.23 3.94 0.00 2.22 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 2.52 2.28 0.00 43 I 7.75 3.73 1.96 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 1.52 0.79 0.92 0.00 0.00 44 E 8.59 3.92 0.00 2.11 1.99 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 2.31 2.39 0.00 45 T 8.40 3.82 4.36 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 1.19 0.00 0.00 46 R 7.74 3.90 0.00 1.97 1.97 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 47 L 8.23 3.93 0.00 1.73 1.83 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.42 3.87 0.00 2.01 1.95 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 49 A 8.18 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 50 A 8.07 3.90 1.42 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 51 N 8.38 4.33 0.00 2.98 2.86 0.00 0.00 6.95 7.14 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 52 G 8.28 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.96 0.00 1.97 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 L 8.25 3.85 0.00 1.78 1.62 0.84 0.58 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 55 A 8.14 3.96 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 56 D 8.26 4.21 0.00 2.83 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 57 A 7.93 3.94 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 58 I 7.86 3.76 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.89 0.00 0.00 59 A 8.02 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 60 K 7.59 4.31 0.00 1.79 2.05 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 61 N 7.97 4.50 0.00 2.65 2.66 0.00 0.00 7.30 7.44 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 62 P 0.00 4.58 0.00 2.23 2.08 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 63 A 7.11 4.67 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 64 W 8.68 4.11 0.00 3.49 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 65 S 7.80 4.75 0.00 4.22 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 66 P 0.00 4.25 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 67 E 8.02 3.93 0.00 1.98 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 2.36 2.39 0.00 68 V 7.47 3.25 1.62 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 -0.25 0.00 0.00 0.74 0.00 0.00 69 E 8.20 3.99 0.00 2.37 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 0.00 2.46 2.49 0.00 70 A 8.08 3.98 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 71 A 7.94 3.90 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 72 T 7.98 3.80 4.47 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 1.44 0.00 0.00 73 Q 8.09 4.92 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 74 E 8.11 3.96 0.00 2.19 1.99 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 2.32 2.46 0.00 75 V 7.87 3.58 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 1.04 0.00 0.00 0.94 0.00 0.00 76 E 8.58 3.98 0.00 2.21 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 2.38 2.59 0.00 77 R 8.13 3.92 0.00 1.95 1.93 0.00 3.26 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 78 A 8.26 4.00 1.39 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 0.00 0.00 0.00 79 A 8.32 4.05 1.42 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 80 G 8.13 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.42 0.00 2.87 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 82 L 8.24 4.06 0.00 1.87 1.77 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.68 4.03 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 84 R 8.18 3.88 0.00 1.90 2.12 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 85 A 8.56 4.10 1.58 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 0.00 0.00 86 T 8.11 3.72 4.45 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 1.23 0.00 0.00 87 L 7.79 4.05 0.00 1.93 1.83 0.97 1.04 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 88 V 8.14 3.68 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 1.07 0.00 0.00 1.01 0.00 0.00 89 H 7.99 4.38 0.00 2.82 2.98 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.49 3.73 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 0.77 0.00 0.00 0.94 0.00 0.00 91 F 8.20 4.35 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 92 E 8.14 3.86 0.00 2.20 1.99 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 2.37 2.50 0.00 *94 R 8.01 3.38 0.00 1.62 2.00 0.00 3.13 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 1.46 1.36 0.00 95 A 7.70 4.05 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 96 G 7.47 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 97 L 7.23 4.52 0.00 1.65 1.55 0.54 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.30 4.04 0.00 1.64 1.83 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 99 P 0.00 4.19 0.00 2.11 2.11 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 100 E 8.05 4.05 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 1.82 2.16 0.00 101 H 8.40 4.85 0.00 3.25 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.80 3.98 0.00 2.02 1.97 0.00 3.12 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 1.54 1.78 0.00 103 P 0.00 4.24 0.00 2.17 2.13 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 104 A 7.96 4.04 1.39 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 0.00 0.00 0.00 105 Y 7.68 3.93 0.00 3.17 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 0.00 106 D 8.58 4.31 0.00 2.90 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 0.00 107 R 8.02 3.81 0.00 2.05 2.06 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 108 V 7.36 3.47 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 0.83 0.00 0.00 0.85 0.00 0.00 109 L 7.69 3.68 0.00 1.33 1.64 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.11 3.61 1.82 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 1.38 0.46 0.89 0.00 0.00 111 D 8.08 4.26 0.00 2.80 2.79 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 0.00 0.00 0.00 0.00 112 A 8.17 3.94 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 0.00 113 L 7.82 3.91 0.00 1.59 1.74 0.90 1.11 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 0.00 114 R 8.23 4.03 0.00 1.95 2.08 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 115 R 8.35 4.00 0.00 1.98 1.95 0.00 3.34 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 116 G 8.16 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.90 4.54 0.00 4.03 4.09 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 0.00 0.00 0.00 118 Q 8.05 4.20 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.