NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5408 8.3044 120.3445 55.1824 32.8759 174.9136 2 K 3.8408 8.8178 125.9526 58.1678 32.6346 173.7481 3 E 4.3124 7.7956 118.4040 55.7544 31.2171 175.2905 4 T 3.9448 7.9734 112.2947 60.6274 70.2525 174.1986 5 R 4.3324 8.1989 118.6642 56.4064 30.6025 175.3938 6 Y 5.3400 7.5847 116.3866 56.0668 41.8570 174.8370 7 C 4.3571 9.8701 124.2067 59.8880 32.0851 174.7686 8 A 4.1389 8.8891 129.1807 54.5607 18.5264 178.7969 9 V 3.9644 7.9315 114.8623 64.7459 31.8018 176.2939 10 C 4.8817 7.6679 110.3743 56.2096 30.1623 173.7426 11 N 4.7515 7.9319 115.9643 54.5792 36.2585 173.4568 12 D 4.7601 7.2766 117.6389 52.5818 43.7683 175.0296 13 Y 5.0603 8.1712 118.7157 58.8167 38.2039 176.8265 14 A 4.5555 8.6785 125.7842 52.2365 18.9280 177.2677 15 S 4.5892 8.6970 113.7061 58.8908 64.9341 174.3568 16 G 3.9237 7.1236 104.7424 46.4963 0.0000 171.0591 17 Y 4.1638 8.3309 123.8723 55.9821 40.3549 176.0773 18 H 4.5008 8.3032 124.9204 55.1565 31.2752 174.0658 19 Y 3.6043 9.0972 120.4064 59.0431 35.4141 171.8423 20 G 3.7756 8.8947 105.5460 44.9282 0.0000 173.8032 21 V 4.1681 6.6637 111.7005 59.3268 37.1575 173.4912 22 W 4.4985 9.0146 122.1065 56.2731 30.0896 175.8067 23 S 5.0631 8.4211 117.1775 57.4755 65.9375 174.2136 24 C 4.9217 8.6469 116.6255 57.4685 30.8618 174.3877 25 E 4.0857 8.8721 119.0783 59.3919 28.7605 179.5611 26 G 3.7111 8.1478 105.3093 48.3761 0.0000 175.3464 27 C 4.2705 8.0994 119.3675 61.7673 28.0920 176.0320 28 K 4.0550 8.1457 121.0724 59.5637 31.7314 178.4166 29 A 4.1650 8.2634 120.9818 55.2502 18.2719 178.9532 30 F 3.9387 8.4512 118.9929 61.6567 39.2864 177.0497 31 F 3.5934 8.8494 120.0911 60.9917 39.1114 176.4530 32 K 3.5699 8.7855 119.7789 59.8908 31.9797 178.3409 33 R 3.7819 8.7197 118.6431 59.6243 29.8791 179.2641 34 S 3.8803 7.5147 113.6670 61.4196 62.7659 176.5860 35 I 3.7044 7.2744 117.5801 64.3158 37.4545 178.6484 *36 Q 4.2394 7.8967 122.1986 60.0345 28.3550 181.5986 37 G 4.2639 8.1730 116.4437 45.6521 0.0000 174.0974 *38 H 4.5731 8.7694 122.1196 54.8154 30.0069 172.1383 *39 N 4.6011 8.1715 119.3033 53.9700 38.7050 174.5984 *40 D 4.6151 8.5884 113.8125 56.3639 36.8140 170.0397 41 Y 4.6496 7.4772 117.7322 58.5670 39.2383 174.4732 42 M 4.7611 8.2631 118.7683 54.5758 34.9444 173.0772 43 C 4.5273 8.5981 125.6148 57.4061 32.5906 172.4299 44 P 4.0811 0.0000 0.0000 64.7920 32.0787 176.8522 45 A 4.7538 7.0701 120.3882 52.8263 18.8610 177.0145 46 T 4.3127 8.6372 109.0318 63.2017 69.0657 174.7858 47 N 4.5237 8.6823 117.7499 54.4040 35.4291 174.1903 48 Q 4.6236 7.6657 113.7672 55.6573 28.8286 174.7791 49 C 4.3448 7.9966 114.7288 60.6834 29.2499 173.8902 50 T 4.0420 8.2524 119.2773 63.2672 68.4240 175.0183 51 I 4.1134 8.1753 128.4147 59.9182 36.7521 173.7332 52 D 5.3000 7.7824 125.3596 53.1895 43.7946 174.9415 53 K 4.4774 8.2018 114.3190 57.4234 36.6760 177.1460 54 N 4.3470 10.5293 115.8077 56.4238 38.7309 176.5076 55 R 4.1615 7.8200 122.7543 54.6544 29.0037 176.0244 56 R 4.0588 8.2636 122.2121 56.3884 28.6763 176.3986 57 K 4.6726 8.2956 120.8660 53.8809 36.3465 175.7297 58 S 4.9910 7.5442 118.0293 57.4873 64.5324 176.7231 59 C 4.6140 7.5834 125.6122 56.9968 34.3982 174.4889 60 Q 3.4878 8.8463 127.4206 59.1505 28.2905 179.3384 61 A 4.1489 7.7838 121.0854 55.3662 18.6984 179.3332 62 C 4.2015 7.9499 114.6352 62.4022 28.1239 176.2872 63 R 3.7106 7.9822 120.9908 59.3377 29.8090 178.2500 64 L 4.3135 7.9519 120.3893 58.0461 42.0033 179.0616 65 R 4.0533 8.0941 115.8248 59.3902 29.4162 178.2245 66 K 3.8276 8.2730 121.1652 59.5631 32.1977 178.3008 67 C 3.7044 8.4851 116.6659 63.2485 28.1883 176.4075 68 Y 4.2280 8.1386 117.9518 60.8153 37.2890 177.8224 69 E 4.0211 8.7579 119.1974 59.6751 29.6586 178.3813 70 V 4.0332 7.8998 109.2812 61.4477 31.4349 176.9806 71 G 4.0601 8.2180 108.8946 45.3019 0.0000 174.7110 72 M 3.9246 7.3561 121.5589 57.0473 32.2984 176.2726 *73 M 4.6480 9.2080 120.3989 57.0519 37.6013 173.4012 *74 K 5.3247 7.2668 124.0552 53.5714 31.8147 176.7912 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 4.54 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 2 K 8.82 3.84 0.00 1.80 1.83 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 E 7.80 4.31 0.00 2.00 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 2.54 2.46 0.00 4 T 7.97 3.94 2.69 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 0.66 0.00 0.00 5 R 8.20 4.33 0.00 1.59 1.91 0.00 2.51 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.00 6 Y 7.58 5.34 0.00 2.94 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 7 C 9.87 4.36 0.00 3.09 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 8 A 8.89 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.96 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 0.83 0.00 0.00 0.93 0.00 0.00 10 C 7.67 4.88 0.00 3.05 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 11 N 7.93 4.75 0.00 2.77 2.84 0.00 0.00 6.77 7.91 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 12 D 7.28 4.76 0.00 2.66 2.55 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 13 Y 8.17 5.06 0.00 3.04 2.84 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 14 A 8.68 4.56 1.55 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 15 S 8.70 4.59 0.00 3.95 4.07 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 0.00 0.00 0.00 16 G 7.12 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 17 Y 8.33 4.16 0.00 1.43 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 0.00 0.00 0.00 18 H 8.30 4.50 0.00 3.07 3.01 0.00 5.82 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.10 3.60 0.00 2.83 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 20 G 8.89 3.78 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 0.00 0.00 0.00 21 V 6.66 4.17 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 0.57 0.00 0.00 0.88 0.00 0.00 22 W 9.01 4.50 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 23 S 8.42 5.06 0.00 3.91 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 24 C 8.65 4.92 0.00 3.20 3.34 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 25 E 8.87 4.09 0.00 2.04 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 2.44 2.35 0.00 26 G 8.15 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 0.00 0.00 0.00 27 C 8.10 4.27 0.00 3.04 3.07 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 0.00 0.00 0.00 28 K 8.15 4.06 0.00 1.84 2.08 0.00 1.07 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.49 7.81 29 A 8.26 4.17 1.47 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 0.00 0.00 0.00 30 F 8.45 3.94 0.00 3.27 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 3.59 0.00 3.22 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 32 K 8.79 3.57 0.00 2.06 1.99 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.63 7.81 33 R 8.72 3.78 0.00 1.72 1.82 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 34 S 7.51 3.88 0.00 3.25 3.64 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 0.00 0.00 0.00 0.00 35 I 7.27 3.70 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.24 0.24 0.00 0.00 *36 Q 7.90 4.24 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 37 G 8.17 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 0.00 0.00 0.00 0.00 *38 H 8.77 4.57 0.00 2.69 2.89 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 N 8.17 4.60 0.00 2.76 2.73 0.00 0.00 6.87 8.06 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 *40 D 8.59 4.62 0.00 2.88 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 41 Y 7.48 4.65 0.00 3.11 3.01 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 0.00 0.00 0.00 42 M 8.26 4.76 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 43 C 8.60 4.53 0.00 3.03 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 44 P 0.00 4.08 0.00 2.10 2.12 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 45 A 7.07 4.75 1.07 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 0.00 0.00 0.00 0.00 0.00 46 T 8.64 4.31 4.25 0.00 0.00 0.00 0.00 0.00 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 47 N 8.68 4.52 0.00 2.94 3.06 0.00 0.00 6.78 7.69 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 48 Q 7.67 4.62 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 49 C 8.00 4.34 0.00 2.96 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 50 T 8.25 4.04 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 1.18 0.00 0.00 51 I 8.18 4.11 1.83 0.00 0.00 0.80 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 1.39 0.86 0.00 0.00 52 D 7.78 5.30 0.00 2.58 2.78 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 53 K 8.20 4.48 0.00 1.87 1.68 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.36 7.81 54 N 10.53 4.35 0.00 2.78 2.78 0.00 0.00 6.95 7.54 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 55 R 7.82 4.16 0.00 1.76 1.88 0.00 3.19 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 56 R 8.26 4.06 0.00 1.77 1.90 0.00 3.13 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 57 K 8.30 4.67 0.00 1.78 1.64 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.49 7.81 58 S 7.54 4.99 0.00 3.76 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 59 C 7.58 4.61 0.00 2.93 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 60 Q 8.85 3.49 0.00 1.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 61 A 7.78 4.15 1.43 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 0.00 0.00 62 C 7.95 4.20 0.00 3.04 2.97 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 63 R 7.98 3.71 0.00 1.62 1.23 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.00 64 L 7.95 4.31 0.00 2.22 1.96 1.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.09 4.05 0.00 2.20 2.43 0.00 3.03 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 66 K 8.27 3.83 0.00 2.06 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.54 7.81 67 C 8.49 3.70 0.00 3.36 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 68 Y 8.14 4.23 0.00 3.29 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 69 E 8.76 4.02 0.00 2.12 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 0.00 2.40 2.37 0.00 70 V 7.90 4.03 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 0.71 0.00 0.00 0.98 0.00 0.00 71 G 8.22 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 72 M 7.36 3.92 0.00 0.51 0.99 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.17 0.00 *73 M 9.21 4.65 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 *74 K 7.27 5.32 0.00 1.81 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.05 7.81 * Residues marked with a * may have inaccurate shift predictions.