NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.5027 8.2893 118.2104 55.0851 32.8637 174.8422 54 T 4.0146 8.0755 109.0579 60.0580 71.0291 173.3403 55 L 3.8402 8.7127 125.9404 58.8768 42.6001 180.3525 56 D 4.3278 8.0344 117.0545 57.0460 41.1279 177.6124 57 E 3.9074 8.1594 119.8192 59.4220 29.5997 178.6518 58 S 4.1445 8.0124 115.2115 62.1502 62.9639 176.7309 59 C 4.1778 8.0247 118.8146 62.8202 27.7535 176.3912 60 K 4.0647 7.8999 119.6475 59.5013 31.3882 179.5294 61 I 3.7801 7.9410 119.4300 63.7466 37.1624 177.5472 62 L 4.4643 7.6498 115.8974 53.2050 42.7024 175.6774 63 N 4.0770 7.6028 116.6449 54.4697 37.7877 174.4199 64 I 4.1367 8.1698 118.1669 59.9282 38.3368 176.0542 65 E 4.3971 9.0229 128.0947 54.0914 29.1292 175.7023 66 E 3.9383 8.6387 128.6339 58.8958 30.0495 179.2009 67 S 4.1484 8.0519 112.4765 60.9804 63.0443 174.9959 68 K 4.0085 8.0658 120.4730 57.0964 31.8017 177.4624 69 G 3.9941 8.1504 106.7501 46.1188 0.0000 174.9897 70 D 4.1399 7.8010 118.7281 56.2800 41.3037 176.9580 71 L 4.4002 7.0528 122.8896 53.2324 40.6073 175.4438 72 N 5.0663 7.5516 118.9434 49.7133 42.1431 174.7039 73 M 3.9156 8.6637 121.6001 59.2959 32.3116 178.0977 74 D 4.3709 8.0928 117.3149 57.2584 41.2994 178.0478 75 K 3.9868 7.9557 119.6694 59.4299 32.2740 178.7685 76 I 3.7482 7.8395 120.1420 64.4860 36.9744 178.0813 77 N 4.3890 8.5796 117.7261 56.5657 38.3661 177.2725 78 N 4.4402 8.3207 117.8195 56.1623 38.6574 177.8133 79 R 4.0034 8.4848 120.0161 59.1389 30.1928 178.6709 80 F 4.1124 8.6355 120.7857 61.5106 39.2632 176.7264 81 N 4.2312 8.5327 116.0490 56.5069 38.4110 176.7466 82 Y 4.1540 8.1639 120.5748 60.9316 39.0244 178.1387 83 L 3.7947 8.0594 119.8975 57.4915 41.4665 179.2755 84 F 3.9425 8.0522 120.3602 61.1148 39.5029 176.5647 85 E 3.9588 7.8946 119.3279 59.1819 29.2806 179.1800 86 V 3.5710 7.3035 117.8126 63.9179 31.5436 177.0324 87 N 4.6487 7.5018 115.0811 51.7863 38.9714 174.0668 88 D 4.4548 7.5409 122.0484 53.1072 42.0257 177.4342 89 K 4.5099 8.5714 124.7149 59.1192 33.1849 178.5850 90 E 3.8785 8.1402 119.9714 58.9930 29.4010 178.0021 91 K 4.4060 7.9889 115.1605 56.3741 32.4167 177.1180 92 G 3.9056 8.2251 106.2950 45.2950 0.0000 174.7965 93 G 3.8394 7.9037 108.4535 44.0714 0.0000 173.3486 94 S 4.5312 8.3632 114.1050 57.4043 63.1851 174.6036 95 F 4.1075 8.9586 131.7942 61.2383 39.1005 176.1946 96 Y 4.0387 8.2054 119.0280 60.7659 38.7496 178.0431 97 L 3.9887 8.0158 119.8159 57.7783 41.3575 179.2927 98 Q 3.8562 8.1340 119.6103 59.0668 28.9070 178.2086 99 S 3.9318 7.9947 116.6437 61.7170 62.8683 177.0353 100 K 3.9699 7.6441 120.6155 59.0956 31.6638 179.7450 101 V 3.6381 7.6761 118.5596 66.1880 31.5056 177.2375 102 Y 4.3381 8.2748 119.3364 61.2407 38.6584 178.5761 103 R 4.0064 8.3777 118.5232 58.9703 30.2268 178.7934 104 A 4.1807 8.5130 121.9278 54.4473 18.2741 179.6073 105 A 3.8854 8.1125 119.3309 55.2215 18.3777 179.6586 106 E 3.6526 7.9531 117.1722 59.4587 29.5291 179.1658 107 R 4.0873 7.9776 118.6252 60.0182 29.9552 178.4471 108 L 4.0383 7.9183 118.1845 57.3723 41.5006 179.5123 109 K 3.9132 8.2486 119.8539 59.3775 32.2008 178.4045 110 W 4.5036 8.4150 128.8087 60.8758 30.4664 177.4646 111 E 3.8341 8.3533 119.0697 59.0048 29.0228 178.9357 112 L 3.9292 7.8493 119.0235 57.7345 41.5582 178.7272 113 A 3.9921 7.8823 119.3091 55.9700 18.3519 179.5251 114 Q 4.0722 8.1150 114.8038 58.9635 28.8459 178.8495 115 R 4.0118 8.0833 118.8927 57.9230 30.7000 176.7952 116 E 4.4985 7.8750 119.7206 55.5327 29.5672 175.5690 117 K 4.2154 8.0017 122.3880 56.9595 32.0414 176.3596 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 53 M 8.29 4.50 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 54 T 8.08 4.01 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 1.21 0.00 0.00 55 L 8.71 3.84 0.00 1.64 1.71 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.03 4.33 0.00 2.82 2.64 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 57 E 8.16 3.91 0.00 2.12 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 2.32 2.37 0.00 58 S 8.01 4.14 0.00 4.18 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 59 C 8.02 4.18 0.00 3.17 3.18 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 0.00 0.00 0.00 0.00 60 K 7.90 4.06 0.00 2.07 1.88 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.60 7.81 61 I 7.94 3.78 2.05 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 1.54 0.63 1.00 0.00 0.00 62 L 7.65 4.46 0.00 1.78 1.75 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.60 4.08 0.00 2.80 2.85 0.00 0.00 7.07 9.25 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 64 I 8.17 4.14 1.88 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 1.21 1.00 0.89 0.00 0.00 65 E 9.02 4.40 0.00 2.03 2.03 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 2.22 2.26 0.00 66 E 8.64 3.94 0.00 2.03 1.93 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 2.37 2.30 0.00 67 S 8.05 4.15 0.00 4.01 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 68 K 8.07 4.01 0.00 1.71 2.01 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 69 G 8.15 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 0.00 0.00 0.00 70 D 7.80 4.14 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.05 4.40 0.00 1.56 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.55 5.07 0.00 2.88 2.83 0.00 0.00 5.72 7.66 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 73 M 8.66 3.92 0.00 2.13 2.10 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 2.65 2.65 0.00 74 D 8.09 4.37 0.00 2.78 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 75 K 7.96 3.99 0.00 1.87 1.93 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 76 I 7.84 3.75 1.98 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 1.53 0.56 0.90 0.00 0.00 77 N 8.58 4.39 0.00 2.92 2.90 0.00 0.00 7.08 6.57 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 78 N 8.32 4.44 0.00 2.93 2.88 0.00 0.00 7.05 7.58 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 79 R 8.48 4.00 0.00 2.00 2.06 0.00 3.34 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 80 F 8.64 4.11 0.00 3.08 3.25 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 0.00 81 N 8.53 4.23 0.00 3.10 2.95 0.00 0.00 6.75 7.42 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 82 Y 8.16 4.15 0.00 3.08 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 83 L 8.06 3.79 0.00 1.80 1.67 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.05 3.94 0.00 1.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.89 3.96 0.00 2.09 1.97 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 2.23 2.28 0.00 86 V 7.30 3.57 1.69 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 0.58 0.00 0.00 0.56 0.00 0.00 87 N 7.50 4.65 0.00 2.77 2.75 0.00 0.00 6.49 8.42 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 88 D 7.54 4.45 0.00 2.61 2.47 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 89 K 8.57 4.51 0.00 1.99 2.15 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.64 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.38 7.81 90 E 8.14 3.88 0.00 1.92 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 2.32 2.33 0.00 91 K 7.99 4.41 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81 92 G 8.23 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 93 G 7.90 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 94 S 8.36 4.53 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.96 4.11 0.00 3.12 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 96 Y 8.21 4.04 0.00 3.16 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 97 L 8.02 3.99 0.00 1.89 1.69 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.13 3.86 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 1.99 1.79 0.00 99 S 7.99 3.93 0.00 3.71 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 0.00 100 K 7.64 3.97 0.00 1.81 1.80 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.37 7.81 101 V 7.68 3.64 2.38 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 1.11 0.00 0.00 0.99 0.00 0.00 102 Y 8.27 4.34 0.00 3.50 3.29 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 0.00 103 R 8.38 4.01 0.00 1.95 2.02 0.00 3.45 0.00 0.00 3.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.84 0.00 104 A 8.51 4.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.11 3.89 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 0.00 106 E 7.95 3.65 0.00 2.00 1.86 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 1.78 1.97 0.00 107 R 7.98 4.09 0.00 2.01 2.16 0.00 3.28 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 108 L 7.92 4.04 0.00 1.88 1.70 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.25 3.91 0.00 1.72 1.96 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.37 7.81 110 W 8.42 4.50 0.00 3.50 3.26 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 0.00 111 E 8.35 3.83 0.00 2.21 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 0.00 2.27 2.35 0.00 112 L 7.85 3.93 0.00 1.87 1.69 0.93 0.82 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 0.00 113 A 7.88 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.12 4.07 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.17 0.00 115 R 8.08 4.01 0.00 1.96 2.07 0.00 3.25 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 116 E 7.87 4.50 0.00 2.08 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 0.00 2.24 2.32 0.00 117 K 8.00 4.22 0.00 1.96 1.82 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.41 7.81