NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5400 8.3193 115.2936 58.4769 63.7297 173.2786 2 T 4.4498 8.6611 116.6971 59.5462 72.2241 174.4323 3 I 3.7951 8.3088 122.1451 64.3754 37.4998 179.3487 4 E 3.9273 8.1987 119.6781 59.5493 29.4960 178.6888 5 E 4.0276 8.2828 118.4056 59.5116 29.6332 179.6557 6 R 4.0389 8.2839 118.2124 59.1631 30.0970 179.3037 7 V 3.8233 8.4552 118.5906 66.0708 31.5772 178.3198 8 K 4.0473 8.3155 118.3291 59.1821 31.8525 179.2801 9 K 4.1139 8.2108 120.0622 59.5948 32.0489 179.0245 10 I 3.7652 7.7748 119.7212 64.3770 36.9615 178.3752 11 I 3.8594 8.1446 120.9717 64.4143 36.9737 178.7428 12 G 3.6064 8.2811 106.4291 47.7162 0.0000 175.2859 13 E 3.9373 8.0424 120.7933 59.1594 29.7620 178.6680 14 Q 4.1383 8.1710 116.9296 58.7348 28.9389 178.0696 15 L 4.3889 8.2381 117.5500 54.1032 42.2470 176.8134 16 G 3.8766 8.0952 106.8826 46.9589 0.0000 173.9817 17 V 4.5038 7.6509 111.2648 58.4763 34.6751 176.2237 18 K 4.2287 8.3452 122.2126 56.5156 33.6754 177.7321 19 Q 3.9912 9.0113 120.9418 59.3447 28.7503 179.4899 20 E 4.0397 8.1352 113.7579 58.7014 29.6755 177.3976 21 E 4.1308 8.1241 119.7211 57.7829 30.1510 177.0954 22 V 3.9576 7.2514 120.1602 61.8036 30.0379 175.0743 23 T 4.4349 7.4326 113.9184 59.7695 70.8677 176.5411 24 N 4.2883 8.7030 120.3128 56.4403 38.6730 176.9165 25 N 4.3317 7.9837 113.0719 53.9218 38.3375 175.2941 26 A 4.0407 7.5831 123.6069 52.5285 19.1251 176.3025 27 S 4.7130 9.1759 117.9685 57.0282 63.6043 174.9766 28 F 4.1829 8.4179 126.9771 60.8500 39.2306 177.9383 29 V 3.6942 7.9814 119.5319 65.8980 31.7553 177.8731 30 E 4.0276 8.1637 118.0482 58.7404 29.5444 177.7148 31 D 4.6564 8.0309 116.5592 55.3047 42.1371 177.0647 32 L 4.3553 8.0320 116.1621 53.8879 42.0005 176.8965 33 G 3.9074 7.7907 105.7418 46.1057 0.0000 174.0137 34 A 4.2768 8.2809 122.9172 51.9216 18.9999 178.7126 35 D 4.9322 8.9459 123.0411 51.9595 43.1641 177.4680 36 S 4.0935 8.4208 114.1088 62.0526 62.6836 176.5219 37 L 4.0548 7.9133 122.4657 58.0950 41.9216 178.3089 38 D 4.3365 8.6053 119.0916 57.6565 40.6883 178.9510 39 T 3.6736 7.6627 115.6555 66.5800 68.5289 176.5584 40 V 3.5265 7.2632 118.4210 66.3375 31.5946 177.9992 41 E 3.9703 8.3614 118.3354 59.1370 29.2600 179.1745 42 L 3.8929 8.3876 120.9240 57.9271 42.0821 179.1673 43 V 3.4724 7.7755 118.2051 66.4184 31.4831 177.9967 44 M 4.3325 8.3661 119.4291 57.6859 31.7107 178.6737 45 A 3.9727 8.0648 121.0755 55.1997 18.5939 179.7375 46 L 4.1736 8.0725 117.5165 57.8852 41.5659 179.5245 47 E 4.4249 8.6177 120.5113 58.7075 29.2165 179.0925 48 E 3.9675 8.3888 119.4939 59.2546 29.5815 178.3902 49 E 3.6391 7.9687 118.3303 58.8776 29.6578 177.4001 50 F 4.6311 8.0612 114.1453 56.2275 39.3874 175.2791 51 D 4.4586 7.5643 119.2753 55.4106 39.9950 173.5691 52 T 4.7949 8.0596 113.4930 61.8891 72.9859 173.3331 53 E 4.8848 8.8246 123.7885 54.5465 31.5628 175.2255 54 I 4.4643 8.4244 124.1450 58.1931 40.0554 174.0685 55 P 4.3775 0.0000 0.0000 62.5406 33.1665 177.2493 56 D 4.3231 8.7284 121.5385 57.8363 40.5881 179.2251 57 E 4.0307 8.0277 117.3694 58.9205 29.6477 178.3851 58 E 4.0802 7.9597 119.0732 58.9153 29.9455 178.3002 59 A 3.8553 8.0051 120.8947 54.8179 18.1223 179.1996 60 E 3.9067 7.8695 117.2284 59.0132 29.7828 178.4253 61 K 4.4929 7.6363 116.2837 56.4943 32.7347 177.2576 62 I 4.1437 7.3214 120.8439 60.7516 36.0653 175.4984 63 T 4.6338 8.3798 115.4206 61.7271 70.0292 174.4991 64 T 4.6054 7.3989 112.3016 58.7751 73.3579 174.5308 65 V 3.4996 7.5371 121.1600 66.4455 31.4298 178.1637 66 Q 3.9733 8.3309 119.1328 59.1408 28.8339 178.1124 67 A 4.0731 7.8999 121.7661 54.7640 18.3342 179.5965 68 A 4.0167 8.0323 119.2408 55.3897 18.5348 179.7979 69 I 3.5783 7.8556 118.3282 64.7266 37.1862 178.3444 70 D 4.3510 8.4749 119.9862 57.5722 40.6739 178.2977 71 Y 3.9328 8.1340 119.9500 60.6109 38.8077 178.1947 72 I 3.6581 7.8412 120.6981 64.5542 36.9938 178.1044 73 N 4.4144 7.9886 115.9976 56.3343 38.4356 177.4064 74 G 3.5771 8.0555 105.7381 46.6805 0.0000 173.8889 75 H 4.6635 7.6784 115.1380 55.2247 30.9642 174.0860 76 Q 4.0885 8.4876 121.4981 55.8319 29.4430 175.6741 77 A 4.3472 8.5223 126.5344 52.3484 19.3028 175.7870 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 S 8.32 4.54 0.00 3.87 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 2 T 8.66 4.45 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 3 I 8.31 3.80 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.75 0.00 0.00 4 E 8.20 3.93 0.00 2.03 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 2.40 2.42 0.00 5 E 8.28 4.03 0.00 2.26 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 2.35 2.37 0.00 6 R 8.28 4.04 0.00 2.13 2.16 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 7 V 8.46 3.82 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 1.20 0.00 0.00 0.94 0.00 0.00 8 K 8.32 4.05 0.00 1.95 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.65 7.81 9 K 8.21 4.11 0.00 1.98 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 10 I 7.77 3.77 2.10 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 1.53 0.69 0.95 0.00 0.00 11 I 8.14 3.86 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 1.17 0.00 0.00 12 G 8.28 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.04 3.94 0.00 2.07 2.15 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 2.33 2.40 0.00 14 Q 8.17 4.14 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 15 L 8.24 4.39 0.00 1.71 1.76 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.10 3.88 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 0.00 0.00 0.00 17 V 7.65 4.50 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 0.88 0.00 0.00 0.97 0.00 0.00 18 K 8.35 4.23 0.00 2.06 1.94 0.00 1.54 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.46 7.81 19 Q 9.01 3.99 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 20 E 8.14 4.04 0.00 2.07 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 0.00 2.28 2.25 0.00 21 E 8.12 4.13 0.00 1.99 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 0.00 2.29 2.24 0.00 22 V 7.25 3.96 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 0.88 0.00 0.00 1.02 0.00 0.00 23 T 7.43 4.43 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 1.19 0.00 0.00 24 N 8.70 4.29 0.00 2.83 3.06 0.00 0.00 6.63 6.92 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 25 N 7.98 4.33 0.00 2.77 2.90 0.00 0.00 5.96 7.26 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 26 A 7.58 4.04 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 27 S 9.18 4.71 0.00 3.77 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.42 4.18 0.00 3.26 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 29 V 7.98 3.69 2.13 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 1.02 0.00 0.00 0.99 0.00 0.00 30 E 8.16 4.03 0.00 2.01 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 0.00 2.35 2.29 0.00 31 D 8.03 4.66 0.00 2.81 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.36 0.00 1.91 1.76 0.87 0.78 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 33 G 7.79 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 34 A 8.28 4.28 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 35 D 8.95 4.93 0.00 2.93 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 36 S 8.42 4.09 0.00 3.88 3.94 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 37 L 7.91 4.05 0.00 1.74 1.65 0.91 1.25 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 38 D 8.61 4.34 0.00 2.96 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 39 T 7.66 3.67 4.39 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 1.14 0.00 0.00 40 V 7.26 3.53 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 1.00 0.00 0.00 0.90 0.00 0.00 41 E 8.36 3.97 0.00 2.01 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 2.31 2.44 0.00 42 L 8.39 3.89 0.00 1.62 1.61 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.78 3.47 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 0.99 0.00 0.00 0.84 0.00 0.00 44 M 8.37 4.33 0.00 2.10 2.07 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 2.78 2.39 0.00 45 A 8.06 3.97 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 46 L 8.07 4.17 0.00 1.88 1.90 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.62 4.42 0.00 2.12 2.13 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 2.45 2.43 0.00 48 E 8.39 3.97 0.00 2.06 2.16 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 2.27 2.30 0.00 49 E 7.97 3.64 0.00 1.78 1.54 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 0.00 1.71 1.47 0.00 50 F 8.06 4.63 0.00 3.29 3.10 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 51 D 7.56 4.46 0.00 2.67 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 0.00 52 T 8.06 4.79 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 E 8.82 4.88 0.00 1.96 1.87 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 2.24 2.22 0.00 54 I 8.42 4.46 1.38 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.40 0.80 0.00 0.00 55 P 0.00 4.38 0.00 2.18 1.95 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 56 D 8.73 4.32 0.00 2.65 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 57 E 8.03 4.03 0.00 1.92 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 2.30 2.30 0.00 58 E 7.96 4.08 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 2.35 2.39 0.00 59 A 8.01 3.86 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 60 E 7.87 3.91 0.00 2.11 2.13 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 2.32 2.34 0.00 61 K 7.64 4.49 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 62 I 7.32 4.14 1.98 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 1.04 0.00 0.00 63 T 8.38 4.63 4.29 0.00 0.00 0.00 0.00 0.00 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 64 T 7.40 4.61 4.14 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 0.00 0.00 0.00 1.13 0.00 0.00 65 V 7.54 3.50 2.25 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 0.99 0.00 0.00 0.78 0.00 0.00 66 Q 8.33 3.97 0.00 2.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 67 A 7.90 4.07 1.37 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 0.00 0.00 0.00 68 A 8.03 4.02 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 69 I 7.86 3.58 2.02 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 1.52 0.73 0.88 0.00 0.00 70 D 8.47 4.35 0.00 2.86 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 71 Y 8.13 3.93 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.66 1.76 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 0.07 0.00 0.00 73 N 7.99 4.41 0.00 2.77 2.83 0.00 0.00 7.10 7.23 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 74 G 8.06 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.68 4.66 0.00 2.81 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.49 4.09 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 77 A 8.52 4.35 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