NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.8744 8.3544 109.7356 44.8657 0.0000 173.2200 5 L 4.0187 7.7996 120.8678 50.7322 43.5692 174.3333 6 P 4.4638 0.0000 0.0000 63.3107 33.2456 174.4010 7 H 5.0148 8.2058 116.9774 54.4292 31.6147 173.3313 8 G 4.0599 8.8472 108.1598 45.6954 0.0000 172.2441 9 F 5.2377 8.5416 120.8192 57.0645 42.1688 173.8852 10 C 5.1491 8.5540 122.7948 54.9445 43.3623 173.7273 11 I 4.0579 7.6145 121.5812 61.7285 37.8490 175.6971 12 Q 4.7585 8.3414 124.9124 54.7578 31.1688 172.9078 13 C 4.8966 9.1148 117.4892 54.7060 44.0140 172.5684 14 N 5.2740 8.4433 116.9499 51.8743 40.0003 176.5199 15 R 3.7760 8.4968 123.3889 59.2864 30.1439 178.0803 16 K 4.1245 7.6870 114.4312 58.0210 32.5228 177.0127 17 T 4.2055 7.0100 116.0790 63.0438 69.2553 174.1191 18 W 4.9354 8.4597 120.3914 56.8885 29.4464 177.1369 19 S 4.2726 7.9353 113.4570 58.2695 62.9051 173.2955 20 N 4.6533 8.4884 120.0581 52.9644 38.5655 175.2357 21 C 4.6941 8.8391 122.5698 57.6023 40.4951 174.5172 22 S 4.3081 7.9489 115.4602 58.5591 63.2475 173.6468 23 I 4.4618 7.4571 114.3773 58.9243 39.1564 175.9502 24 G 3.5527 8.5730 112.5029 46.2309 0.0000 172.1556 25 H 4.8334 7.7900 115.9921 53.4578 33.6617 173.5619 26 R 4.6025 8.6915 119.4660 57.0866 30.6801 177.3302 27 C 4.7413 9.1688 120.6948 55.5382 41.9439 173.4496 28 L 4.2497 8.2231 119.3073 53.9929 42.4828 175.5165 29 P 4.3852 0.0000 0.0000 64.6412 31.3255 176.7113 30 Y 3.5789 8.6397 118.7862 58.8091 36.7449 169.3494 31 H 4.8861 8.0835 118.8679 55.1267 27.2937 175.2878 32 M 4.4181 8.2967 121.2614 55.4935 33.2104 176.1443 33 T 4.7886 7.6617 116.8395 62.1252 70.7076 173.5904 34 C 5.3900 8.8902 124.0593 56.6391 38.5808 172.1725 35 Y 5.6147 8.6341 118.7610 56.0661 42.0225 173.6842 36 T 4.7697 8.8940 109.7859 59.8661 71.9657 172.3268 37 L 5.2506 9.2061 128.9248 53.9289 44.1581 174.4969 38 Y 5.3796 9.5313 123.9356 56.3412 41.0175 174.9086 39 K 5.1720 9.0123 121.8582 53.5716 36.5296 174.1017 40 P 4.7481 0.0000 0.0000 63.4376 31.9670 176.3256 41 D 4.8145 8.9562 123.2114 52.3686 41.7599 176.1708 42 E 3.8587 8.8932 118.0099 59.4053 29.6244 178.3109 43 N 4.7371 8.4324 113.1055 52.5994 38.9292 175.7183 44 G 3.9874 8.2856 106.9752 45.3056 0.0000 174.2424 45 E 4.1882 8.6178 120.5452 56.4431 30.8645 176.2191 46 M 4.7705 8.6288 123.6002 54.9174 32.7796 175.7921 47 K 5.0400 8.8831 123.8251 54.1996 35.8853 175.8508 48 W 4.4288 9.3432 120.7751 57.0114 28.2249 175.4467 49 A 4.3907 9.4139 123.3381 52.1760 21.7813 176.1034 50 V 5.0331 7.8288 113.6652 61.4042 35.5655 174.3298 51 K 4.5011 8.8449 125.5814 54.9326 36.1945 176.1121 52 G 4.1967 6.6726 108.5506 46.1071 0.0000 171.0018 53 C 6.3000 8.9926 116.4164 54.5909 38.7510 172.9155 54 A 4.3396 8.0424 118.8053 51.6498 21.5122 177.8724 55 R 4.0253 8.4067 119.2308 58.4856 30.4626 176.8137 56 M 4.6435 7.5610 115.6119 52.8564 34.3523 175.9662 57 C 3.8997 8.9436 122.4552 56.4856 44.0443 171.8035 58 P 4.3304 0.0000 0.0000 62.7976 31.5211 175.8366 59 T 4.2314 8.1908 118.8747 62.4482 69.3797 174.6549 60 A 4.2531 8.3695 129.4879 51.3258 19.5431 177.2606 61 K 4.2057 8.7330 121.3008 55.8516 32.8672 176.7525 62 S 4.3140 8.2916 115.3086 59.8263 62.6818 174.6240 63 G 3.9889 8.9577 115.0346 45.2818 0.0000 172.8606 64 E 4.8408 7.6407 118.3275 55.0916 32.0638 175.2562 65 R 4.9302 8.9191 120.0225 54.9709 33.9742 174.0098 66 V 5.2298 8.4909 123.4277 59.9954 34.8788 174.6171 67 K 4.7290 9.2863 122.5178 55.0019 34.8834 174.5623 68 C 5.7436 8.9555 122.2839 55.7001 41.2737 171.6865 69 C 5.0378 9.1559 115.3336 54.8283 45.5259 172.5406 70 T 4.9670 9.0952 115.0717 61.5065 71.3452 172.7614 71 G 3.8561 9.2440 109.7665 42.8023 0.0000 172.6899 72 A 4.3538 8.5943 126.0520 54.0590 18.8481 177.6984 73 S 3.7897 9.5888 120.3019 59.4172 61.2714 171.9844 74 C 4.4859 8.4781 115.7158 57.4457 41.5452 173.4855 75 N 4.7246 7.7468 117.3223 52.8762 36.7567 176.6497 76 S 3.7731 7.1627 117.7236 62.7307 63.4675 175.0097 *77 D 4.2879 7.6388 124.6679 53.5462 40.2321 177.5540 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 4 G 8.35 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 0.00 0.00 0.00 5 L 7.80 4.02 0.00 1.65 1.49 0.99 0.67 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 6 P 0.00 4.46 0.00 2.02 2.09 0.00 3.45 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.95 0.00 7 H 8.21 5.01 0.00 3.33 3.18 0.00 5.52 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 8 G 8.85 4.06 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 0.00 0.00 0.00 9 F 8.54 5.24 0.00 3.01 2.86 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 10 C 8.55 5.15 0.00 2.76 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 11 I 7.61 4.06 1.81 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 1.23 0.91 0.86 0.00 0.00 12 Q 8.34 4.76 0.00 1.79 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 13 C 9.11 4.90 0.00 3.00 3.16 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 0.00 14 N 8.44 5.27 0.00 2.67 2.73 0.00 0.00 6.46 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 15 R 8.50 3.78 0.00 0.67 1.43 0.00 2.21 0.00 0.00 2.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.00 16 K 7.69 4.12 0.00 1.69 1.80 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.46 7.81 17 T 7.01 4.21 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 1.20 0.00 0.00 18 W 8.46 4.94 0.00 3.35 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 19 S 7.94 4.27 0.00 4.02 3.93 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 20 N 8.49 4.65 0.00 2.73 2.82 0.00 0.00 7.03 7.65 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 21 C 8.84 4.69 0.00 3.19 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 22 S 7.95 4.31 0.00 3.86 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 23 I 7.46 4.46 1.81 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 1.28 0.64 0.92 0.00 0.00 24 G 8.57 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 0.00 0.00 0.00 25 H 7.79 4.83 0.00 2.88 3.04 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.69 4.60 0.00 1.72 1.85 0.00 3.15 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 27 C 9.17 4.74 0.00 3.09 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 28 L 8.22 4.25 0.00 1.35 1.29 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.39 0.00 2.09 1.81 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 30 Y 8.64 3.58 0.00 3.29 3.21 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 0.00 31 H 8.08 4.89 0.00 3.43 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.30 4.42 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 33 T 7.66 4.79 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 C 8.89 5.39 0.00 2.90 3.09 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 35 Y 8.63 5.61 0.00 3.02 2.96 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 36 T 8.89 4.77 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 37 L 9.21 5.25 0.00 2.02 1.75 1.11 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.53 5.38 0.00 2.98 2.91 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 0.00 0.00 0.00 39 K 9.01 5.17 0.00 1.69 1.67 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 40 P 0.00 4.75 0.00 2.09 2.08 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 41 D 8.96 4.81 0.00 2.83 2.89 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 42 E 8.89 3.86 0.00 1.94 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 2.30 2.34 0.00 43 N 8.43 4.74 0.00 2.72 2.80 0.00 0.00 6.97 7.65 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 44 G 8.29 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 0.00 0.00 0.00 45 E 8.62 4.19 0.00 2.27 1.90 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 2.34 2.30 0.00 46 M 8.63 4.77 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 47 K 8.88 5.04 0.00 1.83 1.93 0.00 1.30 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.30 7.81 48 W 9.34 4.43 0.00 2.91 2.56 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 49 A 9.41 4.39 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 50 V 7.83 5.03 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 1.01 0.00 0.00 1.02 0.00 0.00 51 K 8.84 4.50 0.00 1.53 1.60 0.00 0.94 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 1.00 7.81 52 G 6.67 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.99 6.30 0.00 2.95 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 54 A 8.04 4.34 1.19 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 0.00 0.00 55 R 8.41 4.03 0.00 1.74 1.90 0.00 3.01 0.00 0.00 2.75 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 56 M 7.56 4.64 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 57 C 8.94 3.90 0.00 2.93 3.03 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 0.00 0.00 0.00 58 P 0.00 4.33 0.00 1.67 1.66 0.00 3.44 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.71 0.00 59 T 8.19 4.23 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 1.20 0.00 0.00 60 A 8.37 4.25 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 61 K 8.73 4.21 0.00 1.97 1.77 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.50 7.81 62 S 8.29 4.31 0.00 3.83 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 63 G 8.96 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 0.00 0.00 0.00 64 E 7.64 4.84 0.00 2.15 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 2.32 2.27 0.00 65 R 8.92 4.93 0.00 1.89 1.82 0.00 2.93 0.00 0.00 2.98 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 66 V 8.49 5.23 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 0.89 0.00 0.00 1.02 0.00 0.00 67 K 9.29 4.73 0.00 1.95 1.84 0.00 1.55 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.59 7.81 68 C 8.96 5.74 0.00 2.87 3.03 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 0.00 0.00 0.00 69 C 9.16 5.04 0.00 2.95 3.16 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 0.00 70 T 9.10 4.97 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 1.23 0.00 0.00 71 G 9.24 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 0.00 0.00 0.00 72 A 8.59 4.35 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 73 S 9.59 3.79 0.00 4.03 3.91 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 0.00 0.00 0.00 74 C 8.48 4.49 0.00 3.06 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 75 N 7.75 4.72 0.00 2.63 2.82 0.00 0.00 6.10 7.64 0.00 0.00 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 S 7.16 3.77 0.00 3.86 3.79 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 *77 D 7.64 4.29 0.00 2.35 2.43 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 * Residues marked with a * may have inaccurate shift predictions.