NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4601 8.1633 118.3244 55.3383 33.4215 173.7281 2 Q 4.9009 8.2014 118.2125 52.7715 31.2731 173.2631 3 I 4.5399 8.9066 115.9281 59.2351 42.1966 173.5863 4 F 5.4656 8.7255 121.3623 55.8862 42.5267 174.8261 5 V 4.8846 8.6860 120.3792 61.2327 34.9709 174.3718 6 K 4.7675 9.1253 128.6516 56.0626 33.3728 177.6605 7 T 4.4497 9.0863 116.5909 60.3392 70.3742 175.3394 8 L 3.9826 8.4806 120.7249 57.8671 41.5042 178.5501 9 T 4.1711 7.5400 106.1393 61.7497 69.2422 175.6953 10 G 3.9478 8.0982 111.2719 44.9951 0.0000 173.9280 11 K 4.1568 7.6556 120.7107 56.5762 32.8731 175.0988 12 T 5.1568 8.2849 119.4801 61.7582 70.3407 173.8934 13 I 4.6940 8.8131 119.8092 59.3916 41.0997 174.4028 14 T 5.1111 8.4877 119.0875 61.8635 71.1447 173.5518 15 L 4.7865 8.8121 125.3157 52.8237 45.6573 175.0519 16 E 4.8845 8.6484 122.9591 54.9777 30.6934 175.1014 17 V 4.7048 8.8354 119.7824 60.1440 36.6011 174.1707 18 E 4.7529 9.4771 120.2605 53.9816 32.4861 176.3077 19 P 4.1945 0.0000 0.0000 65.5313 31.5873 178.1480 20 S 4.5644 7.8862 110.1562 58.3298 63.5794 173.9053 21 D 4.4962 8.0195 122.8188 54.5602 41.3820 176.2308 22 T 4.7489 8.1666 113.3863 61.1534 71.3858 175.9806 23 I 3.7333 8.3695 122.9192 64.5722 37.0534 178.7244 24 E 3.9583 8.1436 119.0193 59.4630 29.3567 178.9177 25 N 4.3292 8.0612 116.5089 56.2592 38.5967 177.6098 26 V 3.5574 7.8331 119.5606 66.0391 31.6633 178.2557 27 K 4.3926 8.5848 119.4821 58.8160 31.8070 179.2081 28 A 4.0064 8.0786 121.1564 55.1654 18.1848 179.8647 29 K 3.9675 8.1146 116.9750 59.5829 31.9605 179.7254 30 I 3.7576 7.7365 120.3496 64.2127 36.6643 178.1590 31 Q 3.9764 8.1246 120.5201 59.3382 28.6530 178.0304 32 D 4.3688 7.9207 118.9809 56.9584 40.8596 178.5460 33 K 4.1822 7.5514 117.9461 58.6760 32.6831 178.1378 34 E 4.4004 8.9064 117.1795 55.6526 30.2595 176.8331 35 G 3.9006 8.2527 106.4368 45.3424 0.0000 173.0654 36 I 4.0568 7.3546 120.1521 59.0934 38.8711 173.6012 37 P 4.6324 0.0000 0.0000 61.4556 32.1524 175.3188 38 P 4.2154 0.0000 0.0000 65.9463 31.3119 177.7938 39 D 4.6708 8.0902 113.4124 54.4746 39.5491 176.1644 40 Q 4.6026 8.2533 118.4448 56.0109 30.6310 175.0448 41 Q 4.7597 8.1158 119.4768 54.6619 31.2633 174.9493 42 R 4.6948 8.5200 121.9021 54.9179 33.4865 173.5351 43 L 5.1944 8.5723 126.1814 53.2082 44.5165 175.4655 44 I 5.0504 8.6746 123.1343 59.4717 41.0513 174.2591 45 F 5.0999 9.2474 128.3283 56.6579 42.4064 174.6513 46 A 3.4194 9.1843 129.8714 53.1431 15.7731 177.8312 47 G 3.8591 8.2070 109.1361 46.8416 0.0000 174.4072 48 K 4.5069 8.0272 122.6927 52.5949 33.2597 180.8935 49 Q 4.6234 8.5285 125.8027 55.1519 29.7026 175.2636 50 L 3.8908 8.6635 127.3532 54.1837 42.6686 176.0239 51 E 4.8012 9.3908 123.1028 54.3204 32.1208 175.7154 52 D 4.5495 8.6563 123.2409 55.9232 41.4504 177.0520 53 G 3.9997 10.0719 111.7518 45.1233 0.0000 173.5979 54 R 4.7091 7.7123 118.4554 54.5939 32.9106 175.0950 55 T 5.0304 8.5046 109.7849 59.5537 71.5648 175.6862 56 L 4.0648 8.5912 121.7952 57.9640 41.8792 180.3592 57 S 4.2212 8.2749 113.1317 61.1427 63.0222 176.2210 58 D 4.2454 7.7577 120.0077 56.7390 40.5221 176.6616 59 Y 4.5771 7.8142 114.2939 56.9637 38.1674 174.8480 60 N 4.1687 8.0110 117.0043 54.5766 37.8483 174.2820 61 I 3.6202 7.8624 117.5976 60.4135 37.4587 175.5125 62 Q 4.6025 8.4896 125.0387 52.9280 31.5535 174.6530 63 K 3.7198 8.4696 118.7244 58.7873 32.0753 175.8478 64 E 3.6470 9.3304 124.2312 57.2558 27.7176 174.7782 65 S 4.6218 8.0172 115.4141 58.8903 64.3565 173.1834 66 T 5.1755 8.7019 118.2860 62.0689 70.6413 173.8627 67 L 5.0220 9.2323 126.2446 53.5470 45.2268 174.9054 68 H 5.1261 9.0178 117.5306 54.0149 31.6750 172.8304 69 L 4.9755 8.8753 126.2652 53.8924 43.1148 175.8459 70 V 4.6741 8.7182 118.6328 59.0760 36.5237 174.7324 71 L 4.2992 8.4283 121.8721 54.8924 42.2821 176.9434 72 R 4.3312 8.3583 124.6418 55.2539 30.4603 176.0728 73 L 4.4387 8.5096 126.9443 54.4582 42.8169 176.3584 74 R 4.5366 7.9233 115.9146 55.0620 31.7279 175.1794 75 G 3.7622 8.3963 109.1702 45.5964 0.0000 174.0334 76 G 4.0852 8.5620 107.2147 45.8891 0.0000 173.5694 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 8.16 4.46 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 2 Q 8.20 4.90 0.00 1.85 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 3 I 8.91 4.54 1.80 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 1.07 1.14 0.74 0.00 0.00 4 F 8.73 5.47 0.00 3.06 2.93 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 5 V 8.69 4.88 2.10 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 1.07 0.00 0.00 0.92 0.00 0.00 6 K 9.13 4.77 0.00 1.68 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 7 T 9.09 4.45 4.34 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 1.26 0.00 0.00 8 L 8.48 3.98 0.00 1.66 1.79 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.54 4.17 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 10 G 8.10 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 0.00 0.00 0.00 11 K 7.66 4.16 0.00 1.81 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 12 T 8.28 5.16 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 1.21 0.00 0.00 13 I 8.81 4.69 1.90 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 1.42 0.81 0.93 0.00 0.00 14 T 8.49 5.11 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 L 8.81 4.79 0.00 1.44 1.46 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.88 0.00 1.90 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 2.18 2.34 0.00 17 V 8.84 4.70 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.48 4.75 0.00 1.77 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 2.18 2.37 0.00 19 P 0.00 4.19 0.00 2.16 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.89 4.56 0.00 3.96 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 21 D 8.02 4.50 0.00 2.83 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 22 T 8.17 4.75 4.47 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 1.22 0.00 0.00 23 I 8.37 3.73 1.96 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 1.87 1.06 0.93 0.00 0.00 24 E 8.14 3.96 0.00 2.05 2.00 0.00 0.00 0.00 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 25 N 8.06 4.33 0.00 2.92 2.85 0.00 0.00 6.67 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.83 3.56 2.21 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 0.99 0.00 0.00 0.98 0.00 0.00 27 K 8.58 4.39 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.46 7.81 28 A 8.08 4.01 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.11 3.97 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.68 7.81 30 I 7.74 3.76 2.16 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.93 0.00 0.00 31 Q 8.12 3.98 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 32 D 7.92 4.37 0.00 2.90 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 33 K 7.55 4.18 0.00 1.67 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.57 7.81 34 E 8.91 4.40 0.00 1.90 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 2.25 2.35 0.00 35 G 8.25 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 36 I 7.35 4.06 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 1.41 0.88 0.91 0.00 0.00 37 P 0.00 4.63 0.00 2.33 1.96 0.00 3.95 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 2.26 2.07 0.00 38 P 0.00 4.22 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.09 4.67 0.00 2.78 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 40 Q 8.25 4.60 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 41 Q 8.12 4.76 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 42 R 8.52 4.69 0.00 1.80 1.90 0.00 3.07 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 43 L 8.57 5.19 0.00 1.57 1.50 0.88 0.75 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 44 I 8.67 5.05 1.92 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 1.13 1.01 0.96 0.00 0.00 45 F 9.25 5.10 0.00 2.90 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 46 A 9.18 3.42 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.21 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 48 K 8.03 4.51 0.00 1.63 1.69 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.22 7.81 49 Q 8.53 4.62 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.66 3.89 0.00 1.37 1.21 0.71 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.39 4.80 0.00 1.98 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 2.36 2.50 0.00 52 D 8.66 4.55 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 10.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.71 0.00 2.19 1.94 0.00 3.19 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 55 T 8.50 5.03 4.47 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 1.28 0.00 0.00 56 L 8.59 4.06 0.00 1.89 1.69 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.27 4.22 0.00 4.00 4.12 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 0.00 0.00 0.00 58 D 7.76 4.25 0.00 2.66 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 59 Y 7.81 4.58 0.00 2.97 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 60 N 8.01 4.17 0.00 2.96 3.06 0.00 0.00 7.12 7.33 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 61 I 7.86 3.62 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.26 0.54 0.00 0.00 62 Q 8.49 4.60 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 63 K 8.47 3.72 0.00 1.68 1.75 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 E 9.33 3.65 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 65 S 8.02 4.62 0.00 3.62 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 5.18 4.37 0.00 0.00 0.00 0.00 0.00 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 67 L 9.23 5.02 0.00 1.53 1.58 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.02 5.13 0.00 3.07 3.20 0.00 5.60 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 69 L 8.88 4.98 0.00 1.61 1.77 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.72 4.67 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 1.00 0.00 0.00 71 L 8.43 4.30 0.00 1.53 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.36 4.33 0.00 1.91 1.87 0.00 3.25 0.00 0.00 3.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 73 L 8.51 4.44 0.00 1.68 1.58 0.92 0.92 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 74 R 7.92 4.54 0.00 1.87 1.85 0.00 3.03 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 75 G 8.40 3.76 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 0.00 0.00 0.00 76 G 8.56 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