NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2648 8.3049 120.3397 53.4090 34.3421 174.8104 2 I 3.9161 7.5091 128.0695 58.4305 38.7611 174.1999 3 K 4.2214 9.1392 129.5476 54.1154 32.6529 174.3259 4 P 4.3649 0.0000 0.0000 62.4617 31.1013 176.0188 5 L 4.6141 8.3669 121.7153 54.1575 44.5653 176.3414 6 G 3.8419 8.0971 110.9200 47.3379 0.0000 174.4182 7 D 4.9252 8.4483 119.8237 54.6372 40.7458 174.0379 8 R 5.2400 7.6458 112.8108 54.5991 35.3936 175.5004 9 V 4.8802 8.8323 112.4478 60.0063 36.9086 174.5787 10 V 4.7908 8.7318 122.0215 61.3508 34.0531 174.9218 11 V 5.0129 8.9001 120.2139 59.5710 36.2460 174.2272 12 K 4.8506 8.6768 123.7130 54.5010 33.7901 175.8904 13 R 4.6593 8.8139 127.8721 57.2606 30.5623 175.6135 14 I 4.2709 8.2030 119.4713 62.1247 39.7300 174.6216 *34 P 4.2023 0.0000 0.0000 62.3383 32.3982 176.0205 35 Q 4.4788 8.3676 122.0524 53.8530 32.3362 174.6942 36 K 5.0466 8.0354 119.8351 55.0593 35.9958 175.2817 37 G 4.5620 8.7057 107.6394 45.4366 0.0000 171.7359 38 K 4.9366 8.8263 123.2495 54.5864 34.1847 175.7474 39 V 4.2892 8.7347 128.6761 63.0676 31.8119 176.0343 40 I 4.6137 9.0682 121.1231 60.8125 39.8688 175.7020 41 A 4.7644 7.8310 123.7251 50.1983 22.5269 175.2074 42 V 4.5980 8.3892 114.0970 59.4318 35.1286 176.1005 43 G 4.0853 8.8574 112.6618 45.6255 0.0000 173.5549 44 T 4.1263 8.4904 108.8168 62.6006 69.4695 175.4107 45 G 4.0468 8.3626 108.1781 45.7016 0.0000 172.7571 46 R 4.0668 8.1951 118.1113 55.7569 30.7106 174.9601 47 V 4.6204 8.1124 124.1114 61.1883 33.0236 175.4654 48 L 4.4514 9.1188 128.3451 53.7395 42.5399 177.8319 49 E 4.0065 8.7216 120.3157 59.0025 29.4852 177.6806 50 N 4.7015 8.1685 115.0639 52.4282 37.4847 176.2637 51 G 4.0285 8.3831 108.9499 46.0982 0.0000 174.7264 52 Q 4.1351 7.9872 119.0471 55.9292 30.1009 175.6031 53 R 4.7827 8.3910 123.2319 54.5128 31.5299 175.4613 54 V 3.8731 8.5581 128.4899 61.8409 32.2450 173.9867 55 P 4.5554 0.0000 0.0000 62.1383 32.1642 176.5557 56 L 4.3693 8.2962 121.7019 54.7863 42.1841 177.5268 57 E 4.0549 9.1210 123.3880 58.4236 29.8921 177.5193 58 V 4.3597 7.4822 111.0224 59.8417 33.3543 174.5602 59 K 4.7227 9.5532 120.8071 54.4304 35.6943 175.5430 60 E 4.2880 8.5612 118.9059 57.9611 29.7826 176.1793 61 G 4.2115 9.1929 112.8384 45.9880 0.0000 174.4118 62 D 4.4385 7.9637 119.8386 54.7561 42.0933 176.1327 63 I 4.6316 8.4767 124.4203 60.7812 38.7239 175.4846 64 V 4.8645 8.8273 120.5925 59.6651 35.0992 174.7990 65 V 4.9986 8.9920 122.7201 61.2011 33.8184 174.5114 66 F 5.5010 8.5751 121.5631 54.5257 41.7653 174.0493 67 A 4.3292 8.1329 118.7154 51.9969 19.5006 177.1936 68 K 3.8018 8.2428 121.5477 57.6884 32.7359 177.0416 69 Y 4.0819 8.7309 122.2767 58.1255 35.4929 169.4584 70 G 3.8967 7.8444 108.9310 45.5498 0.0000 174.3454 71 G 3.9133 8.5508 107.9808 45.1356 0.0000 172.7937 72 T 4.6426 8.3726 115.2789 61.4576 71.0316 173.9602 73 E 4.7187 8.8879 126.5821 56.1607 30.5372 176.0088 74 I 4.6144 8.9362 124.8027 59.1152 41.2255 173.3856 75 E 5.2631 8.8903 129.7425 54.7656 31.8093 175.3865 76 I 4.4223 8.7801 126.7798 61.4180 41.4767 174.6608 77 D 4.3244 9.8777 126.6930 55.4274 38.2763 175.8844 78 G 4.1025 8.4119 107.6771 45.8825 0.0000 174.4596 79 E 4.1102 7.8727 119.5828 55.9218 30.2616 175.2854 80 E 5.0344 8.0047 121.5396 55.1355 32.2411 174.4622 81 Y 5.0538 8.7533 118.9495 56.7915 43.5952 173.9605 82 V 4.8774 8.8080 119.1666 61.4780 35.2137 173.8925 83 I 4.8290 8.8236 128.6757 59.7544 39.2096 174.7173 84 L 5.0886 8.6755 126.2745 52.8199 45.8681 175.9553 85 S 4.8837 8.3976 116.2808 56.9507 65.1055 174.4933 86 E 3.8226 9.1568 123.4619 59.5660 29.3892 179.2335 87 R 4.1347 7.9442 112.6896 57.9313 29.3877 176.5539 88 D 4.5833 8.6670 118.8372 54.6436 41.5523 175.9289 89 L 4.6101 7.6185 120.0785 53.7698 41.3236 176.5981 90 L 4.2917 8.9049 125.1291 57.4660 42.2590 177.2318 91 A 4.4602 7.6548 117.4617 51.4160 22.6956 174.7502 92 V 4.7257 8.3596 118.9975 61.2980 33.4676 174.8720 93 L 4.6650 9.0321 128.8753 53.4313 42.5705 176.8589 94 Q 4.0877 8.3986 121.3605 56.5478 28.3680 174.3100 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 M 8.30 4.26 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 2 I 7.51 3.92 1.64 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 0.80 0.00 0.00 3 K 9.14 4.22 0.00 1.67 1.71 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.42 7.81 4 P 0.00 4.36 0.00 2.17 1.92 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 5 L 8.37 4.61 0.00 1.68 1.55 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.10 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.45 4.93 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.65 5.24 0.00 1.85 1.76 0.00 3.10 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 9 V 8.83 4.88 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 0.65 0.00 0.00 0.92 0.00 0.00 10 V 8.73 4.79 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 0.89 0.00 0.00 0.90 0.00 0.00 11 V 8.90 5.01 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 0.68 0.00 0.00 0.90 0.00 0.00 12 K 8.68 4.85 0.00 1.98 1.71 0.00 1.41 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.37 7.81 13 R 8.81 4.66 0.00 1.97 1.88 0.00 3.26 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 14 I 8.20 4.27 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.91 0.00 0.00 *34 P 0.00 4.20 0.00 1.84 1.92 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.04 0.00 35 Q 8.37 4.48 0.00 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 36 K 8.04 5.05 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.30 7.81 37 G 8.71 4.56 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 38 K 8.83 4.94 0.00 1.88 1.73 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.54 7.81 39 V 8.73 4.29 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 0.96 0.00 0.00 0.95 0.00 0.00 40 I 9.07 4.61 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 1.02 0.00 0.00 41 A 7.83 4.76 1.15 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 0.00 0.00 42 V 8.39 4.60 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 0.73 0.00 0.00 0.92 0.00 0.00 43 G 8.86 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 0.00 0.00 0.00 44 T 8.49 4.13 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 1.20 0.00 0.00 45 G 8.36 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.20 4.07 0.00 1.97 1.79 0.00 3.16 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 47 V 8.11 4.62 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 0.88 0.00 0.00 0.93 0.00 0.00 48 L 9.12 4.45 0.00 1.85 1.56 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.72 4.01 0.00 1.95 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 2.32 2.25 0.00 50 N 8.17 4.70 0.00 2.82 2.89 0.00 0.00 6.13 7.00 0.00 0.00 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 G 8.38 4.03 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 0.00 0.00 0.00 52 Q 7.99 4.14 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 53 R 8.39 4.78 0.00 1.79 1.83 0.00 3.23 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 54 V 8.56 3.87 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 0.88 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.56 0.00 1.97 1.96 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 56 L 8.30 4.37 0.00 1.63 1.59 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.12 4.05 0.00 1.92 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 2.32 2.28 0.00 58 V 7.48 4.36 2.09 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 0.81 0.00 0.00 0.93 0.00 0.00 59 K 9.55 4.72 0.00 1.82 1.87 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.38 7.81 60 E 8.56 4.29 0.00 1.98 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 2.32 0.00 61 G 9.19 4.21 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 0.00 0.00 0.00 62 D 7.96 4.44 0.00 2.73 2.65 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 63 I 8.48 4.63 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.93 0.00 0.00 64 V 8.83 4.86 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 0.83 0.00 0.00 1.07 0.00 0.00 65 V 8.99 5.00 2.09 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 0.93 0.00 0.00 0.92 0.00 0.00 66 F 8.58 5.50 0.00 3.22 3.05 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 0.00 0.00 0.00 67 A 8.13 4.33 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 68 K 8.24 3.80 0.00 1.41 1.29 0.00 1.44 0.00 0.00 0.81 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.97 7.81 69 Y 8.73 4.08 0.00 3.25 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 70 G 7.84 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 0.00 0.00 0.00 71 G 8.55 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 0.00 0.00 0.00 72 T 8.37 4.64 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 1.22 0.00 0.00 73 E 8.89 4.72 0.00 1.89 1.94 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 2.38 2.31 0.00 74 I 8.94 4.61 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.44 1.06 0.00 0.00 75 E 8.89 5.26 0.00 2.02 1.82 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 2.23 2.50 0.00 76 I 8.78 4.42 2.06 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 1.34 0.63 0.95 0.00 0.00 77 D 9.88 4.32 0.00 2.90 2.74 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 0.00 0.00 0.00 0.00 78 G 8.41 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 0.00 0.00 0.00 79 E 7.87 4.11 0.00 2.26 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 2.33 2.46 0.00 80 E 8.00 5.03 0.00 1.69 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 2.18 2.24 0.00 81 Y 8.75 5.05 0.00 2.92 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 82 V 8.81 4.88 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 0.93 0.00 0.00 1.04 0.00 0.00 83 I 8.82 4.83 1.84 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 1.19 0.63 0.91 0.00 0.00 84 L 8.68 5.09 0.00 1.33 1.31 -0.33 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.40 4.88 0.00 3.88 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 86 E 9.16 3.82 0.00 1.98 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 0.00 2.32 2.27 0.00 87 R 7.94 4.13 0.00 1.97 2.05 0.00 3.08 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 88 D 8.67 4.58 0.00 2.95 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 89 L 7.62 4.61 0.00 1.75 1.67 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.90 4.29 0.00 1.75 1.74 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.65 4.46 1.21 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 0.00 0.00 92 V 8.36 4.73 2.09 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 0.88 0.00 0.00 0.95 0.00 0.00 93 L 9.03 4.67 0.00 1.52 1.60 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.40 4.09 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.