NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 A 4.3558 8.3645 123.5821 51.8679 20.4790 178.4040 37 Q 4.4076 7.9703 108.5787 54.9644 31.5941 176.0656 *38 H 4.8199 8.3452 110.1404 53.6860 33.3360 178.1413 39 A 4.2182 8.3906 120.9376 54.2173 15.9286 178.7591 40 V 4.4785 7.3956 115.4964 64.4142 37.8830 179.8631 41 I 4.0466 7.8145 119.1728 61.5993 35.7479 178.4665 42 L 3.4883 8.8319 112.2674 59.4089 40.5244 172.9712 43 D 4.4611 7.7926 120.6669 55.3942 40.0487 179.9936 44 Q 4.3166 7.7577 117.4154 57.7322 28.9268 183.4103 45 E 4.5256 8.1143 117.5643 61.5218 30.8715 184.2583 46 K 4.1916 9.2374 128.1656 60.2310 31.4382 181.2223 *47 Y 4.2111 7.8969 121.9453 63.9602 36.6001 182.4055 48 D 4.6158 8.3456 125.2321 59.7917 39.4007 181.3590 49 R 4.2921 8.0363 123.5464 62.2068 29.5798 180.7529 50 I 4.0870 7.7965 121.2355 66.0597 35.1169 182.7895 51 L 4.6418 8.4980 124.8688 57.5158 40.9529 180.3438 52 K 4.7958 7.5224 120.8057 55.9451 32.9455 181.6323 53 E 4.7422 8.0132 115.3913 57.7865 32.5690 183.4727 54 V 3.6719 8.5560 117.9840 64.4396 31.6648 181.7292 55 P 4.4805 0.0000 0.0000 64.8078 30.5357 179.9116 56 T 4.1798 7.6583 111.8450 64.8422 70.3788 182.6403 *57 Y 4.1439 8.0658 118.1855 58.8117 35.7599 180.9971 58 R 4.8886 8.7140 119.8002 57.0921 35.5259 177.3445 *59 Y 4.3540 7.7654 118.2127 59.7322 42.3980 171.1030 60 V 4.5418 8.1018 120.3525 62.0489 34.4054 174.9983 61 S 4.5356 8.6185 116.7057 65.5083 61.9806 173.1586 62 V 4.0092 7.8943 122.8309 66.4592 31.7252 182.1950 63 S 4.7007 7.9812 119.3371 63.6446 62.3742 181.2010 64 V 4.0924 8.2403 123.8238 65.6656 31.3968 181.2043 65 L 4.4148 7.6248 121.8630 61.8140 41.2766 184.6436 66 V 3.9936 7.9997 116.7532 62.9143 32.1233 181.2555 67 D 4.3712 9.5875 114.6539 55.5937 37.9530 168.4379 68 R 3.7634 7.9386 120.9567 57.7032 26.2641 180.0839 69 L 4.3287 8.1512 124.8648 53.7529 41.8189 176.7978 70 K 4.8535 8.2596 127.8443 52.5058 36.3478 174.8290 71 I 4.1684 8.1516 115.2385 60.3373 34.9482 172.9788 72 G 4.5121 8.9653 108.4287 46.6925 0.0000 174.7353 73 G 4.2319 6.4932 112.5555 46.2059 0.0000 175.4651 74 S 4.5770 8.1352 123.0089 56.1486 66.4006 174.3549 75 L 4.0658 8.3578 124.2078 59.2856 40.2503 179.3139 76 A 4.2917 8.8538 124.5429 56.1229 19.3572 180.4193 77 R 4.0125 8.3298 121.1763 62.2812 27.7459 182.0344 78 I 3.8280 7.7138 117.9103 66.2034 35.3207 182.3515 79 A 4.4576 8.2783 123.9108 56.5189 18.0194 179.2625 80 L 3.8807 8.0806 120.7755 61.4320 40.3675 181.8761 81 R 4.1702 7.9984 120.8814 61.1345 29.6269 180.3260 *82 H 4.7367 7.8929 118.6006 58.8488 28.5198 182.6296 83 L 4.5476 8.8934 125.9471 60.5652 40.9769 183.2090 84 E 4.1805 7.8056 115.2017 60.4665 31.1514 185.0000 85 K 4.9212 7.4576 128.5023 54.0951 32.6704 180.4448 86 E 4.6678 7.4753 120.9561 56.3548 35.5997 177.1024 87 G 4.6904 8.8451 117.2830 46.6482 0.0000 172.0239 88 I 4.0181 6.6123 130.3909 59.5454 38.3749 175.8268 89 I 4.8485 7.1447 122.5559 59.8532 39.3643 178.8278 90 K 4.7171 8.6283 122.6020 57.8258 33.1786 170.1783 91 P 5.7681 0.0000 0.0000 65.4985 33.7148 169.3161 92 I 5.6502 7.7521 118.0441 62.6429 39.0958 173.7872 93 S 4.8037 8.7841 123.5186 58.7498 65.6524 177.4683 94 K 4.2368 8.8072 122.3197 56.3891 31.2601 178.7469 *95 H 4.2520 9.7910 119.6396 59.0176 29.0052 179.0627 96 S 4.7035 7.8539 123.1525 59.1612 61.6019 181.2262 97 K 4.9430 8.2051 118.7154 56.9440 33.3149 171.4907 98 Q 4.6523 7.4368 122.2135 53.5640 32.5861 173.5101 99 A 5.5381 8.1159 121.2589 50.5423 18.5329 176.6628 100 I 3.6675 7.7870 119.8637 60.5109 36.1951 178.8742 *101 Y 5.0001 8.2888 130.5781 55.9952 36.7019 173.0358 102 T 4.1503 7.8441 119.3411 61.6564 68.5717 176.2882 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 A 8.36 4.36 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 37 Q 7.97 4.41 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 *38 H 8.35 4.82 0.00 2.77 3.01 0.00 7.31 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.39 4.22 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 40 V 7.40 4.48 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 0.68 0.00 0.00 0.93 0.00 0.00 41 I 7.81 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 42 L 8.83 3.49 0.00 1.64 1.84 0.92 0.98 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 43 D 7.79 4.46 0.00 2.60 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 44 Q 7.76 4.32 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 45 E 8.11 4.53 0.00 1.96 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 2.24 1.92 0.00 46 K 9.24 4.19 0.00 1.76 1.88 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 *47 Y 7.90 4.21 0.00 2.34 2.32 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 48 D 8.35 4.62 0.00 2.68 2.63 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 49 R 8.04 4.29 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 50 I 7.80 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 51 L 8.50 4.64 0.00 1.73 1.58 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.52 4.80 0.00 1.73 1.67 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.21 7.81 53 E 8.01 4.74 0.00 1.69 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 2.13 2.11 0.00 54 V 8.56 3.67 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 0.63 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.48 0.00 2.08 1.99 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 56 T 7.66 4.18 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 *57 Y 8.07 4.14 0.00 2.30 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 0.00 0.00 0.00 58 R 8.71 4.89 0.00 1.76 1.70 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *59 Y 7.77 4.35 0.00 2.17 1.78 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 60 V 8.10 4.54 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 0.69 0.00 0.00 0.93 0.00 0.00 61 S 8.62 4.54 0.00 3.73 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 62 V 7.89 4.01 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 0.94 0.00 0.00 0.93 0.00 0.00 63 S 7.98 4.70 0.00 3.73 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 64 V 8.24 4.09 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 0.90 0.00 0.00 0.93 0.00 0.00 65 L 7.62 4.41 0.00 1.76 1.62 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.00 3.99 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 0.63 0.00 0.00 0.93 0.00 0.00 67 D 9.59 4.37 0.00 2.85 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 68 R 7.94 3.76 0.00 2.01 1.91 0.00 3.23 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 69 L 8.15 4.33 0.00 1.66 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.26 4.85 0.00 1.71 1.59 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 0.96 7.81 71 I 8.15 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.91 0.00 0.00 72 G 8.97 4.51 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 0.00 0.00 0.00 73 G 6.49 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.14 4.58 0.00 3.59 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.07 0.00 1.65 1.47 0.92 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 76 A 8.85 4.29 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 77 R 8.33 4.01 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 78 I 7.71 3.83 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.91 0.00 0.00 79 A 8.28 4.46 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 80 L 8.08 3.88 0.00 1.70 1.58 0.92 0.73 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 81 R 8.00 4.17 0.00 1.78 1.97 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 *82 H 7.89 4.74 0.00 3.02 2.99 0.00 7.17 0.00 0.00 0.00 0.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.89 4.55 0.00 1.59 1.61 0.92 0.83 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 84 E 7.81 4.18 0.00 1.81 1.77 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 2.26 2.14 0.00 85 K 7.46 4.92 0.00 1.77 0.95 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.00 7.81 86 E 7.48 4.67 0.00 1.92 1.12 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 2.09 1.82 0.00 87 G 8.85 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 6.61 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 0.91 0.00 0.00 89 I 7.14 4.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.91 0.00 0.00 90 K 8.63 4.72 0.00 1.77 1.62 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 0.99 7.81 91 P 0.00 5.77 0.00 1.87 2.03 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 92 I 7.75 5.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.25 0.91 0.00 0.00 93 S 8.78 4.80 0.00 3.36 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 94 K 8.81 4.24 0.00 1.74 1.12 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.96 7.81 *95 H 9.79 4.25 0.00 2.92 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.85 4.70 0.00 3.62 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.94 0.00 1.77 1.63 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.11 0.78 7.81 98 Q 7.44 4.65 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 99 A 8.12 5.54 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 0.00 100 I 7.79 3.67 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.91 0.00 0.00 *101 Y 8.29 5.00 0.00 2.33 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 0.00 0.00 0.00 102 T 7.84 4.15 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 * Residues marked with a * may have inaccurate shift predictions.