NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8290 8.3549 109.7346 45.0566 0.0000 174.4314 2 F 3.9569 7.9271 119.0970 54.4118 39.4074 172.7512 3 P 4.3514 0.0000 0.0000 62.7303 32.6001 175.6789 4 I 4.3014 8.3689 124.1094 59.7210 37.3745 174.1464 5 P 4.4174 0.0000 0.0000 63.2163 31.7394 176.2468 6 D 4.6187 8.3193 120.2965 52.6882 42.3102 173.3739 7 P 4.6515 0.0000 0.0000 62.9005 32.2579 176.8883 8 Y 4.6137 8.7850 121.2314 57.3953 36.4775 174.4251 9 V 4.4504 7.2843 121.2423 59.8537 35.2078 174.7513 10 W 2.7197 7.9976 133.2248 56.6471 31.4240 174.8586 11 D 4.5180 6.9716 120.6108 50.6764 41.5721 174.4023 12 P 3.9605 0.0000 0.0000 65.1977 31.3882 178.5513 13 S 4.0496 7.6420 111.6187 59.9845 63.0429 175.2962 14 F 4.1586 7.5457 120.0008 59.4333 39.0859 176.4447 15 R 4.5809 7.1281 117.1403 56.6933 29.9079 176.2058 16 T 3.9104 9.2254 112.1811 61.0483 69.7626 175.3884 17 F 3.8852 7.9558 119.4103 58.7119 36.0187 174.8857 18 Y 4.7257 7.3884 119.0087 55.9262 38.6140 176.2265 19 S 4.1425 8.7254 121.4078 62.0214 62.9895 176.6992 20 I 3.7059 7.8482 121.3170 64.6634 36.9289 178.5238 21 I 3.8111 7.8053 120.0486 64.3527 37.0786 178.0860 22 D 4.4435 8.8123 120.2024 57.4731 40.5191 178.4724 23 D 4.0829 8.1182 119.4076 57.3686 40.6494 178.7837 24 E 3.9628 7.9007 119.1824 59.6678 29.3840 179.0513 25 H 4.5345 7.8826 117.5872 58.1335 28.7682 177.9734 26 K 3.8466 7.4885 120.0975 59.5739 32.0196 179.2601 27 T 3.8504 7.5327 109.9106 65.0253 68.0281 176.0775 28 L 3.9026 8.0631 122.0259 57.4923 41.6565 179.5238 29 F 4.0948 8.6691 117.6937 60.6771 38.9592 177.2726 30 N 4.5939 8.5101 116.7415 56.5450 38.4899 177.2231 31 G 3.6323 8.0729 107.1150 47.7357 0.0000 175.3503 32 I 3.8657 7.6790 119.9096 62.7678 37.5781 177.6431 33 F 4.1937 8.2695 121.9819 61.9138 39.3415 176.8478 34 H 4.3974 8.4834 115.1170 58.3501 28.2792 177.5491 35 L 4.3261 7.5130 121.4618 57.7873 41.8986 178.4962 36 A 4.1477 7.6876 120.3627 54.9276 18.3448 179.5163 37 I 4.0092 6.9647 116.1696 62.9966 37.7301 176.4242 38 D 4.5585 8.5571 123.7537 52.2381 42.5931 175.0402 39 D 4.5253 8.7272 124.4989 54.9074 41.5348 175.6731 40 N 4.6120 8.1647 116.2243 53.3527 37.8151 175.6846 41 A 3.9789 8.6169 120.3498 55.4512 18.2441 179.7980 42 D 4.2496 7.9931 116.8029 57.7013 41.1412 178.6119 43 N 4.2884 8.0566 116.4472 56.1103 38.4857 177.1411 44 L 3.7999 7.8173 121.6078 57.7472 42.1721 179.2491 45 G 3.4397 8.2630 106.0863 47.6438 0.0000 175.0544 46 E 3.8442 8.2996 122.5961 58.9707 29.5196 178.5541 47 L 3.7599 7.6311 119.6131 58.0720 42.1863 178.4784 48 R 3.6253 8.3793 118.9305 59.7588 29.9264 178.3466 49 R 3.8195 8.3824 118.3881 59.5313 30.0646 178.0638 50 C 4.1133 7.8426 118.4415 62.5851 31.5319 175.7197 51 T 3.5543 8.1721 118.1254 66.1390 68.0748 177.1441 52 G 3.5613 8.0254 107.7943 47.4367 0.0000 175.7999 53 K 3.9368 8.0232 122.1058 59.4909 32.2351 178.3057 54 H 4.4295 8.1452 119.6780 58.9748 30.0004 176.8453 55 F 4.1606 8.3225 119.5281 60.8777 38.7643 177.7225 56 L 4.0821 8.0466 119.1782 58.1872 42.1029 178.5250 57 N 4.3038 8.5788 116.9059 56.5028 38.5063 177.0208 58 E 3.8563 8.9122 121.0651 59.1751 29.7279 178.7660 59 Q 4.2788 8.1155 117.5535 58.4533 28.7643 178.6439 60 V 3.6304 7.7238 119.9186 65.5725 30.3941 177.7734 61 L 3.8223 7.6342 119.8158 58.3768 41.8164 178.9337 62 M 4.1894 8.0055 118.5717 58.5664 31.9370 178.8603 63 Q 3.7388 8.1646 117.8269 58.5138 28.5658 178.4593 64 A 4.1451 7.7501 121.0065 54.1120 18.3415 178.1175 65 S 4.5584 6.9678 110.9527 57.3427 64.4457 173.9211 66 Q 3.3437 7.7852 117.9434 56.7957 26.5264 173.5352 67 Y 4.2876 8.0926 116.4156 57.8996 39.5616 175.9683 68 Q 3.7257 8.3417 127.8244 58.4841 29.3762 176.8183 69 F 4.8504 5.4600 115.8539 57.3785 39.9938 177.5672 70 Y 4.2674 8.1237 123.1980 60.9764 38.8349 176.1710 71 D 4.4141 8.3118 119.6397 57.3397 41.0313 178.4904 72 E 3.9958 8.2109 117.6063 59.8217 29.6112 178.4709 73 H 4.1256 8.1496 119.1166 58.7453 29.8819 177.1771 74 K 3.7717 8.1138 124.0222 59.8430 31.7226 179.6835 75 K 4.1053 7.7301 123.3191 59.4863 31.8934 181.4368 76 E 4.5657 8.2372 119.0773 60.0738 29.6414 178.7844 77 H 3.8227 8.3830 116.4354 59.3517 28.7447 177.6286 78 E 4.2302 8.7249 122.4615 60.1104 29.3089 180.1422 *79 T 3.8855 8.1322 114.8085 65.9104 68.4394 179.2759 80 F 4.0840 7.9411 123.1987 61.1846 39.4632 176.9129 81 I 3.5305 7.8178 119.0240 64.9048 37.0479 177.8916 82 H 4.1134 8.5118 118.6342 59.1415 29.4382 177.2449 83 A 3.9155 7.8587 122.5248 55.0355 17.9631 179.6539 84 L 3.7085 7.6510 116.9386 57.5992 41.7076 178.7953 85 D 4.5544 7.9701 117.1593 55.1471 42.2983 176.2581 86 N 4.9682 7.4934 115.4580 51.3083 39.1339 174.3306 87 W 4.5764 8.0720 129.9406 57.5864 31.8195 176.1087 88 K 4.1163 7.6774 125.2712 53.8782 32.1285 174.2083 89 G 3.9166 5.5693 106.2011 46.4029 0.0000 175.5838 90 D 4.5113 6.0854 122.2039 54.4289 37.5608 177.0924 91 V 4.1533 7.7499 123.8942 64.8433 31.9232 178.4472 92 K 4.2571 8.0480 116.6490 59.8806 32.1622 178.9342 93 W 4.2450 8.4414 128.4481 60.5019 30.4183 177.8657 94 A 4.2820 8.5086 120.9540 55.0219 17.7479 179.8072 95 K 3.7759 8.1380 118.1179 58.8515 32.0101 179.8067 96 S 4.1850 7.8712 114.3683 61.1513 63.2728 175.9928 97 W 3.6345 7.7671 132.3895 60.3216 29.7232 177.2941 98 Y 4.1667 7.8763 119.1764 60.4485 38.2069 177.7065 99 V 3.4484 7.5966 119.2579 65.9654 31.6511 177.6199 100 N 4.1779 8.6262 115.7416 55.2934 38.2497 177.0097 101 H 3.5059 7.1317 119.9831 58.8369 30.0558 177.0291 102 I 3.8506 6.6522 121.7468 63.4213 37.5853 178.0601 103 K 2.0000 7.0694 118.3251 57.7108 31.5191 178.3474 104 T 4.2144 6.6836 107.9376 63.1349 70.3734 176.3919 105 I 3.8439 6.9182 121.8816 63.6208 37.6704 177.8759 106 D 4.0818 7.7830 119.8722 57.1862 40.4602 178.8368 107 F 4.2494 8.0611 120.1199 60.7025 38.5558 178.3261 108 K 4.2411 7.5915 122.5302 59.0454 31.8371 182.5035 109 Y 4.8971 7.4249 115.0869 56.3695 38.1079 175.3513 110 K 4.4261 7.4748 121.7457 58.1112 32.4321 176.9788 111 G 4.1102 9.0132 111.4157 46.3593 0.0000 174.1860 112 K 4.7442 8.5561 117.2761 55.0991 34.3142 176.5292 113 I 4.0464 7.9245 116.7847 60.7779 37.5453 175.2159 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 1 G 8.35 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 2 F 7.93 3.96 0.00 2.95 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 3 P 0.00 4.35 0.00 2.20 2.06 0.00 3.90 0.00 0.00 3.61 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 4 I 8.37 4.30 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 1.24 0.00 0.00 5 P 0.00 4.42 0.00 2.11 2.05 0.00 3.97 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 6 D 8.32 4.62 0.00 2.70 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 7 P 0.00 4.65 0.00 2.54 2.29 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 8 Y 8.79 4.61 0.00 3.16 3.27 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 9 V 7.28 4.45 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 0.83 0.00 0.00 0.84 0.00 0.00 10 W 8.00 2.72 0.00 2.48 2.67 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 11 D 6.97 4.52 0.00 2.63 2.50 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 0.00 0.00 0.00 12 P 0.00 3.96 0.00 2.04 2.10 0.00 3.39 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 2.09 2.13 0.00 13 S 7.64 4.05 0.00 3.70 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 14 F 7.55 4.16 0.00 1.92 3.08 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 0.00 0.00 0.00 15 R 7.13 4.58 0.00 1.03 1.35 0.00 3.18 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 1.99 1.68 0.00 16 T 9.23 3.91 4.54 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 1.57 0.00 0.00 17 F 7.96 3.89 0.00 3.00 3.08 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 0.00 0.00 0.00 18 Y 7.39 4.73 0.00 3.18 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 19 S 8.73 4.14 0.00 3.92 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 20 I 7.85 3.71 1.89 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 1.67 1.11 0.91 0.00 0.00 21 I 7.81 3.81 2.22 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.80 1.09 0.00 0.00 22 D 8.81 4.44 0.00 2.83 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 23 D 8.12 4.08 0.00 2.80 2.61 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 24 E 7.90 3.96 0.00 2.10 2.05 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 2.34 2.68 0.00 25 H 7.88 4.53 0.00 3.45 3.59 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 26 K 7.49 3.85 0.00 1.73 1.64 0.00 1.28 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.83 7.81 27 T 7.53 3.85 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 1.22 0.00 0.00 28 L 8.06 3.90 0.00 2.05 1.49 0.79 0.75 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 29 F 8.67 4.09 0.00 3.36 3.13 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 0.00 0.00 0.00 0.00 30 N 8.51 4.59 0.00 2.90 3.10 0.00 0.00 7.10 7.93 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 31 G 8.07 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.68 3.87 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.98 1.16 0.00 0.00 33 F 8.27 4.19 0.00 3.72 3.26 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 34 H 8.48 4.40 0.00 3.42 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.51 4.33 0.00 1.77 1.80 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.69 4.15 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 37 I 6.96 4.01 1.95 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 1.19 0.31 0.90 0.00 0.00 38 D 8.56 4.56 0.00 2.65 2.51 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 0.00 0.00 0.00 0.00 39 D 8.73 4.53 0.00 2.85 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 40 N 8.16 4.61 0.00 2.96 3.09 0.00 0.00 6.84 8.11 0.00 0.00 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 A 8.62 3.98 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 42 D 7.99 4.25 0.00 2.75 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 43 N 8.06 4.29 0.00 2.93 2.84 0.00 0.00 6.74 6.74 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 44 L 7.82 3.80 0.00 1.54 1.66 0.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.26 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 0.00 0.00 0.00 46 E 8.30 3.84 0.00 2.10 2.06 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 2.28 2.34 0.00 47 L 7.63 3.76 0.00 1.78 1.59 0.78 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.38 3.63 0.00 1.79 2.02 0.00 3.01 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 49 R 8.38 3.82 0.00 1.85 2.07 0.00 3.11 0.00 0.00 3.05 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 50 C 7.84 4.11 0.00 3.14 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 51 T 8.17 3.55 4.02 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 0.31 0.00 0.00 52 G 8.03 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.02 3.94 0.00 1.95 1.80 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.44 7.81 54 H 8.15 4.43 0.00 3.36 3.41 0.00 5.91 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 55 F 8.32 4.16 0.00 3.24 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 56 L 8.05 4.08 0.00 1.95 1.88 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.58 4.30 0.00 3.04 2.85 0.00 0.00 6.70 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 58 E 8.91 3.86 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 59 Q 8.12 4.28 0.00 2.47 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 60 V 7.72 3.63 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 0.97 0.00 0.00 0.97 0.00 0.00 61 L 7.63 3.82 0.00 1.65 1.31 0.71 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.01 4.19 0.00 2.47 2.36 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.10 0.00 63 Q 8.16 3.74 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.50 2.08 0.00 64 A 7.75 4.15 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 65 S 6.97 4.56 0.00 4.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.79 3.34 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 67 Y 8.09 4.29 0.00 2.95 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 68 Q 8.34 3.73 0.00 1.57 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.33 0.00 0.00 0.00 0.00 0.00 1.36 1.94 0.00 69 F 5.46 4.85 0.00 2.94 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 70 Y 8.12 4.27 0.00 3.20 3.04 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 71 D 8.31 4.41 0.00 2.89 2.77 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 72 E 8.21 4.00 0.00 2.28 2.29 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 2.55 2.77 0.00 73 H 8.15 4.13 0.00 3.57 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.11 3.77 0.00 1.33 1.76 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.35 7.81 75 K 7.73 4.11 0.00 1.93 1.71 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.35 7.81 76 E 8.24 4.57 0.00 2.29 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 0.00 2.62 2.50 0.00 77 H 8.38 3.82 0.00 3.23 3.20 0.00 5.64 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 78 E 8.72 4.23 0.00 2.23 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 0.00 2.41 2.62 0.00 *79 T 8.13 3.89 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 80 F 7.94 4.08 0.00 1.92 3.17 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 0.00 0.00 0.00 81 I 7.82 3.53 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.95 0.96 0.00 0.00 82 H 8.51 4.11 0.00 3.35 3.53 0.00 5.78 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 83 A 7.86 3.92 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 84 L 7.65 3.71 0.00 1.44 1.41 -0.22 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.97 4.55 0.00 2.61 2.66 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 0.00 0.00 0.00 0.00 86 N 7.49 4.97 0.00 2.57 2.59 0.00 0.00 6.91 7.02 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 87 W 8.07 4.58 0.00 3.24 2.92 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 88 K 7.68 4.12 0.00 1.78 1.63 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.96 7.81 89 G 5.57 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 90 D 6.09 4.51 0.00 2.30 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 0.00 0.00 0.00 91 V 7.75 4.15 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.05 4.26 0.00 1.88 1.96 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.53 7.81 93 W 8.44 4.25 0.00 3.45 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 94 A 8.51 4.28 1.88 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 0.00 0.00 95 K 8.14 3.78 0.00 1.91 1.68 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.90 7.81 96 S 7.87 4.18 0.00 4.07 4.17 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 0.00 0.00 0.00 97 W 7.77 3.63 0.00 2.57 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 98 Y 7.88 4.17 0.00 2.76 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 99 V 7.60 3.45 2.39 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 1.24 0.00 0.00 1.25 0.00 0.00 100 N 8.63 4.18 0.00 2.61 2.60 0.00 0.00 6.69 8.75 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 0.00 101 H 7.13 3.51 0.00 2.13 3.03 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.65 3.85 1.49 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 2.27 0.69 0.00 0.00 103 K 7.07 2.00 0.00 0.79 0.74 0.00 1.07 0.00 0.00 0.98 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.47 7.81 104 T 6.68 4.21 4.16 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 0.00 0.00 0.00 1.26 0.00 0.00 105 I 6.92 3.84 1.48 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 1.34 0.97 0.60 0.00 0.00 106 D 7.78 4.08 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.25 0.00 2.93 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 0.00 108 K 7.59 4.24 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.31 7.81 109 Y 7.42 4.90 0.00 2.65 2.36 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 0.00 110 K 7.47 4.43 0.00 1.76 1.80 0.00 0.82 0.00 0.00 1.40 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.31 7.81 111 G 9.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.74 0.00 2.21 2.16 0.00 2.08 0.00 0.00 2.05 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.69 7.81 113 I 7.92 4.05 1.66 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.25 0.56 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.