NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4072 8.2893 120.3473 54.9565 33.5543 175.7785 2 E 3.9743 8.3811 123.9096 55.1045 31.6957 174.3442 3 E 3.8291 9.1668 123.0668 59.8019 29.8950 180.4558 4 A 3.7307 7.8272 119.9185 55.0045 18.4788 179.6409 5 K 3.8386 7.8241 116.5689 59.5449 32.2433 179.1815 6 Q 4.0025 8.3307 120.1249 59.1389 28.9222 178.5885 7 K 4.1709 8.2417 119.7911 59.1538 32.0024 179.4358 8 V 3.9101 7.4722 118.7643 66.1827 31.4333 178.1623 9 V 3.6793 7.9015 117.8377 66.3253 31.1411 177.7081 10 D 4.3869 8.5275 117.7185 57.1749 40.6931 178.2090 11 F 4.2915 8.2452 120.3585 61.4807 39.5058 177.0064 12 L 3.9667 7.9306 117.1813 56.7846 42.7799 178.2280 13 N 4.6918 8.1087 118.9580 51.7220 35.9162 174.3612 14 S 4.6943 6.8749 116.4947 56.5253 67.4685 174.9126 15 K 4.0417 8.7680 125.3692 59.3080 32.3515 177.2448 16 S 4.5413 7.8645 113.4807 58.3072 63.9575 173.9966 17 G 3.9025 8.7431 111.2982 46.8381 0.0000 172.7455 18 S 4.9191 7.7443 112.4817 56.1954 64.4664 171.5634 19 K 4.3661 7.9023 119.8491 55.9798 34.6116 176.2184 20 S 4.3963 8.2691 112.7568 60.6094 63.3343 173.7041 21 K 5.1924 6.7905 116.2641 55.7518 35.4622 175.4737 22 F 4.7498 9.4868 119.4536 55.6162 43.5947 174.2673 23 Y 4.9068 8.8790 119.0964 58.1308 38.7948 176.9532 24 F 4.6835 9.8164 124.4904 62.3444 39.4235 177.5814 25 N 4.7777 8.3749 115.5512 54.9090 38.5658 176.9107 26 D 4.1929 8.1884 121.1178 57.1936 40.8871 178.6421 27 F 3.9336 7.8039 118.5898 60.4857 39.0612 177.9865 28 T 3.8617 7.5255 108.9760 64.7688 68.2874 176.1012 29 D 4.2281 7.8632 121.2037 57.1997 40.8703 178.4448 30 L 3.6645 6.9910 117.8180 55.7570 43.0115 177.3872 31 F 5.0587 7.3160 116.8135 55.2529 38.9224 173.9964 32 P 4.4281 0.0000 0.0000 64.8305 32.0122 178.2076 33 D 4.5220 8.0336 117.8321 56.1802 41.2595 176.2970 34 M 4.4664 7.6366 118.7163 53.8475 33.3754 176.8823 35 K 4.1590 8.3538 121.1464 56.4156 34.1322 178.2524 36 Q 4.1119 8.7761 123.5951 59.5396 29.0402 178.9915 37 R 4.0027 8.0741 118.6688 59.2714 30.0601 178.4791 38 E 3.9656 8.0813 118.7209 58.9998 29.6879 178.7320 39 V 3.5792 7.9650 118.5193 65.8884 31.5797 177.8820 40 K 4.1092 8.5722 119.3874 59.5501 32.0038 178.9062 41 K 3.9881 8.2292 119.0504 59.4533 32.0153 179.4409 42 I 3.7201 8.1335 113.8119 63.8452 37.4491 178.2817 43 L 3.7456 7.9784 120.8429 57.8030 41.2436 179.6193 44 T 3.9088 8.1174 115.5278 66.5209 68.3600 176.6429 45 A 3.9795 8.1641 122.7968 55.1688 18.3852 179.7206 46 L 3.9573 8.0200 117.5406 57.7334 41.6250 179.9489 47 V 4.0277 8.0421 119.8829 65.6848 31.3021 177.8288 48 N 4.3288 8.2533 115.3888 56.3062 38.4855 176.3828 49 D 4.5388 8.0848 117.4365 54.2162 41.1007 176.6129 50 E 3.9038 7.9638 117.9474 57.2283 27.6588 175.6806 51 V 3.8529 7.8123 121.8190 65.1937 32.6804 175.7051 52 L 5.4964 8.1943 119.3065 52.8109 45.2637 175.4762 53 E 4.8369 9.4441 118.6061 54.7971 32.6855 174.1607 54 Y 4.9934 8.1963 121.3526 55.7345 41.6954 174.6631 55 W 4.9583 7.9302 123.5937 54.9147 33.8187 174.6245 56 S 4.5618 8.5709 118.8697 58.1599 63.8859 174.3576 57 S 4.3609 9.0570 118.4518 57.6089 65.0421 174.2055 58 G 4.2025 8.3394 119.8950 47.2849 0.0000 173.5959 59 S 4.5925 8.8087 119.2139 58.3348 63.7625 173.7234 60 T 4.6528 8.3345 117.6030 61.4283 69.3483 171.9774 61 T 5.1116 8.5177 107.7099 60.6276 72.8635 172.7974 62 M 5.6570 8.7507 120.9991 54.2078 36.9142 173.9632 63 Y 5.4964 9.6604 117.4908 56.9989 43.0675 174.6324 64 G 5.1527 9.1430 108.3759 45.2355 0.0000 171.9974 65 L 4.7920 8.7157 119.6482 54.0646 42.9272 177.2547 66 K 4.0921 8.6365 124.2894 58.5019 32.6370 176.9272 67 G 4.0492 9.6643 114.8921 45.6541 0.0000 175.3711 68 A 4.1528 8.4743 122.1180 55.0149 18.2843 179.8280 69 G 3.8606 9.3860 104.6233 48.2439 0.0000 176.1801 70 K 4.1295 8.1265 120.9642 58.9431 32.0581 179.1881 71 Q 3.9648 8.4230 119.8971 59.1289 29.0988 178.1583 72 A 4.0100 8.3978 121.8598 54.8463 18.1435 179.4909 73 A 3.9188 7.9818 118.4633 55.3469 18.5801 179.2764 74 A 3.9820 7.7820 118.0811 54.4051 18.4602 177.4080 75 E 4.9688 7.7013 119.5822 57.6568 30.4364 175.2107 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 8.29 4.41 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 2 E 8.38 3.97 0.00 2.28 2.04 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 2.32 2.37 0.00 3 E 9.17 3.83 0.00 2.02 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 2.34 2.38 0.00 4 A 7.83 3.73 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 5 K 7.82 3.84 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.57 7.81 6 Q 8.33 4.00 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 7 K 8.24 4.17 0.00 1.71 1.93 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.60 7.81 8 V 7.47 3.91 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 0.93 0.00 0.00 9 V 7.90 3.68 2.24 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 1.11 0.00 0.00 0.97 0.00 0.00 10 D 8.53 4.39 0.00 2.74 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 11 F 8.25 4.29 0.00 3.04 3.38 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 12 L 7.93 3.97 0.00 1.94 1.86 1.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.11 4.69 0.00 2.77 2.80 0.00 0.00 7.00 8.17 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 14 S 6.87 4.69 0.00 3.63 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 15 K 8.77 4.04 0.00 1.70 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 16 S 7.86 4.54 0.00 3.88 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 17 G 8.74 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 18 S 7.74 4.92 0.00 3.69 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 19 K 7.90 4.37 0.00 1.68 1.69 0.00 1.20 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.52 0.78 7.81 20 S 8.27 4.40 0.00 4.03 4.11 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 21 K 6.79 5.19 0.00 1.62 1.68 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.87 0.94 7.81 22 F 9.49 4.75 0.00 2.94 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 23 Y 8.88 4.91 0.00 3.24 2.99 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 24 F 9.82 4.68 0.00 3.55 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.78 0.00 2.82 2.83 0.00 0.00 7.63 8.08 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 26 D 8.19 4.19 0.00 2.66 2.29 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 0.00 27 F 7.80 3.93 0.00 3.19 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 28 T 7.53 3.86 4.13 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 0.69 0.00 0.00 29 D 7.86 4.23 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.99 3.66 0.00 0.41 0.13 -0.95 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.32 5.06 0.00 3.13 2.82 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 0.00 32 P 0.00 4.43 0.00 2.16 2.13 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 33 D 8.03 4.52 0.00 2.73 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 34 M 7.64 4.47 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 35 K 8.35 4.16 0.00 1.82 1.77 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 36 Q 8.78 4.11 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.79 2.75 0.00 37 R 8.07 4.00 0.00 1.93 2.00 0.00 3.20 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 38 E 8.08 3.97 0.00 2.09 2.11 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 2.36 2.40 0.00 39 V 7.97 3.58 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 0.94 0.00 0.00 1.03 0.00 0.00 40 K 8.57 4.11 0.00 1.86 2.01 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.35 1.52 7.81 41 K 8.23 3.99 0.00 1.97 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.59 7.81 42 I 8.13 3.72 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.61 0.93 0.00 0.00 43 L 7.98 3.75 0.00 1.50 0.76 0.29 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.12 3.91 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 45 A 8.16 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.96 0.00 1.85 1.74 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.04 4.03 2.28 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 1.32 0.00 0.00 1.27 0.00 0.00 48 N 8.25 4.33 0.00 2.86 2.85 0.00 0.00 7.14 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.08 4.54 0.00 2.73 2.71 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 50 E 7.96 3.90 0.00 2.14 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 2.22 2.37 0.00 51 V 7.81 3.85 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 1.09 0.00 0.00 0.94 0.00 0.00 52 L 8.19 5.50 0.00 1.79 1.82 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.44 4.84 0.00 1.73 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 2.54 2.36 0.00 54 Y 8.20 4.99 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 4.96 0.00 3.04 2.92 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 56 S 8.57 4.56 0.00 3.77 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 57 S 9.06 4.36 0.00 3.80 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 58 G 8.34 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 59 S 8.81 4.59 0.00 4.00 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 60 T 8.33 4.65 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 61 T 8.52 5.11 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 1.24 0.00 0.00 62 M 8.75 5.66 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 63 Y 9.66 5.50 0.00 3.15 2.95 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 64 G 9.14 5.15 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 0.00 65 L 8.72 4.79 0.00 1.73 1.69 1.01 0.98 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 66 K 8.64 4.09 0.00 1.95 1.78 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.48 7.81 67 G 9.66 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 68 A 8.47 4.15 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 69 G 9.39 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 70 K 8.13 4.13 0.00 1.86 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.54 7.81 71 Q 8.42 3.96 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 72 A 8.40 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.92 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 74 A 7.78 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.70 4.97 0.00 2.00 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 2.16 2.09 0.00