NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4568 8.3349 115.3041 57.9633 63.7551 173.2197 8 D 4.7969 8.3900 125.0042 52.5067 42.3049 174.2497 9 F 5.3242 8.7546 115.0327 55.5353 41.7435 173.7058 10 V 4.4768 8.7930 113.7041 59.6909 34.5048 174.7694 11 V 4.7972 8.5851 124.5259 61.4701 33.7037 174.5282 12 I 4.9245 9.1253 128.3385 59.4597 40.7910 174.1098 13 K 5.0253 8.9938 129.0922 54.1666 34.3823 175.0625 14 A 4.3570 8.6912 130.8351 52.3957 18.9831 177.3619 15 L 4.5979 8.9709 122.9182 54.8449 42.4856 175.9850 16 E 4.6512 7.6427 115.7681 55.0117 32.3636 174.2553 17 D 4.4560 8.4469 119.0060 55.2658 41.3558 176.4598 18 G 3.8789 8.7013 108.9293 46.4089 0.0000 174.1777 19 V 3.8567 7.5105 119.3408 62.9165 32.9410 174.4144 20 N 5.2494 9.1169 125.0374 51.5850 41.1436 173.7073 21 V 4.4696 8.6891 125.4569 61.5896 33.1940 174.4409 22 I 4.5578 8.7411 130.1660 59.4673 39.4244 175.0094 23 G 4.1046 8.5942 114.9804 45.0799 0.0000 172.4210 24 L 5.4753 8.7280 125.9854 53.0297 44.0920 176.2683 25 T 4.5489 8.6884 114.4298 61.8117 69.1499 174.1733 26 R 4.2413 7.9635 127.2875 56.2661 29.5287 175.8367 27 G 3.8088 8.8234 110.7011 43.8030 0.0000 173.7239 28 A 4.2448 8.5064 121.9276 54.2211 18.6118 177.6825 29 D 4.9281 7.2769 113.1917 52.9420 42.9580 176.3644 30 T 4.7176 8.3259 118.6091 61.9411 70.5817 173.1164 31 R 4.7964 8.9390 122.4526 54.1136 33.9461 174.2176 32 F 5.1242 8.8282 118.6982 57.9969 38.9400 175.3140 33 H 5.0059 9.0750 118.5200 56.0202 30.5966 173.8706 34 H 4.7145 7.6941 117.3640 55.2675 33.2794 172.1084 35 S 4.9786 8.4116 121.3735 56.6952 65.1120 172.7930 36 E 4.4717 9.3181 127.2710 54.4372 31.2342 174.4127 37 K 4.7813 8.6115 128.6495 55.5197 33.6644 175.4167 38 L 4.9584 9.1408 127.4145 53.1549 44.8859 176.0206 39 D 5.0801 9.0838 123.2071 52.3024 43.4258 175.9176 40 K 3.9566 9.1014 121.6838 58.5570 32.2839 177.1158 41 G 3.9985 9.0400 115.2798 45.2883 0.0000 173.4922 42 E 4.3194 7.9613 119.3833 56.1786 30.9876 175.9623 43 V 4.8883 8.2134 121.0152 61.0469 34.6609 174.2152 44 L 4.7200 9.1404 129.8359 53.2976 44.7000 174.7716 45 I 5.0100 8.4870 126.8144 59.7024 38.8121 174.7920 46 A 4.7505 9.0691 129.3666 50.1043 21.9800 175.2778 47 Q 4.8297 8.6151 120.4707 55.0361 30.4034 175.7768 48 F 4.7812 8.4667 120.6003 57.8932 39.8462 175.0957 49 T 4.7430 9.0001 111.4057 59.8725 72.0527 174.0800 50 E 4.0343 8.9503 121.2806 59.2477 29.6932 177.1689 51 H 4.5573 7.8974 114.7707 56.1323 30.0490 174.1793 52 T 5.3080 8.5349 117.2710 61.9103 70.6266 174.6553 53 S 5.0253 8.9368 120.0597 57.9823 64.7390 173.4055 54 A 5.0044 7.8275 120.9747 51.3370 22.4916 175.3102 55 I 4.9419 8.5295 120.6307 59.3422 40.8572 174.7086 56 K 4.5706 9.0385 128.2414 54.4630 34.8974 174.5883 57 V 4.8307 8.3854 126.5984 61.0936 33.7995 174.5035 58 R 4.4837 9.0527 127.4894 55.3467 33.0778 174.2424 59 G 4.1234 9.0750 111.5464 43.7381 0.0000 172.5694 60 K 4.5416 9.4847 121.1089 56.0159 33.1997 175.5534 61 A 5.0740 8.6504 127.4644 51.0054 23.3564 173.9708 62 Y 4.7206 9.0879 122.8647 56.6756 40.5918 174.4530 63 I 5.1187 8.3439 126.7515 59.5895 41.2734 174.3626 64 Q 5.1307 9.1610 124.9662 54.4492 32.3554 174.8213 65 T 4.9020 8.4954 112.3929 59.8253 72.3419 174.5201 66 R 3.7288 8.4751 120.2620 59.5719 30.0818 176.7286 67 H 4.6510 7.7393 113.2511 55.5898 29.1163 173.8381 68 G 3.7676 7.7663 106.4072 44.0754 0.0000 173.2691 69 V 4.5254 7.9797 111.7168 60.4940 33.1954 175.5950 70 I 4.6050 8.2490 122.4687 59.6476 42.1321 173.3030 71 E 5.1128 8.4537 125.0395 54.4629 32.5506 175.9931 72 S 4.5718 8.6291 118.9845 58.0237 65.1056 172.9280 73 E 4.8566 8.5402 119.7468 54.7928 32.7321 176.3283 74 G 3.9934 8.5273 111.0498 44.9562 0.0000 173.8540 75 K 4.2845 8.4291 118.4682 56.6873 32.2450 177.1696 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 7 S 8.33 4.46 0.00 3.92 3.93 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 8 D 8.39 4.80 0.00 2.93 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 9 F 8.75 5.32 0.00 3.01 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 10 V 8.79 4.48 2.01 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 0.55 0.00 0.00 0.83 0.00 0.00 11 V 8.59 4.80 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 1.16 0.00 0.00 1.18 0.00 0.00 12 I 9.13 4.92 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.92 0.00 0.00 13 K 8.99 5.03 0.00 1.85 1.75 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.69 4.36 1.36 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 0.00 0.00 0.00 15 L 8.97 4.60 0.00 1.66 1.73 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.64 4.65 0.00 2.03 1.90 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 2.19 2.33 0.00 17 D 8.45 4.46 0.00 2.69 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 18 G 8.70 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 19 V 7.51 3.86 2.20 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 0.95 0.00 0.00 1.00 0.00 0.00 20 N 9.12 5.25 0.00 2.63 2.62 0.00 0.00 6.34 8.29 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 21 V 8.69 4.47 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 0.89 0.00 0.00 0.90 0.00 0.00 22 I 8.74 4.56 1.50 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.43 -0.26 0.00 0.00 23 G 8.59 4.10 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 0.00 0.00 0.00 24 L 8.73 5.48 0.00 1.90 1.70 0.90 0.91 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 25 T 8.69 4.55 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 1.37 0.00 0.00 26 R 7.96 4.24 0.00 1.89 1.97 0.00 3.25 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.82 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 0.00 0.00 0.00 28 A 8.51 4.24 1.30 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 0.00 0.00 0.00 29 D 7.28 4.93 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.33 4.72 4.27 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 1.28 0.00 0.00 31 R 8.94 4.80 0.00 1.85 1.97 0.00 2.80 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 32 F 8.83 5.12 0.00 2.89 2.87 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 0.00 0.00 0.00 33 H 9.07 5.01 0.00 3.11 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.69 4.71 0.00 3.30 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.41 4.98 0.00 3.66 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 36 E 9.32 4.47 0.00 2.12 1.80 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 2.24 2.28 0.00 37 K 8.61 4.78 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.45 7.81 38 L 9.14 4.96 0.00 1.55 1.51 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.08 5.08 0.00 2.59 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 40 K 9.10 3.96 0.00 1.72 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.04 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 42 E 7.96 4.32 0.00 2.06 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 2.32 2.34 0.00 43 V 8.21 4.89 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 9.14 4.72 0.00 1.73 1.46 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.01 1.77 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 1.28 0.75 0.77 0.00 0.00 46 A 9.07 4.75 1.12 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 0.00 0.00 47 Q 8.62 4.83 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 48 F 8.47 4.78 0.00 3.01 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 49 T 9.00 4.74 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 1.32 0.00 0.00 50 E 8.95 4.03 0.00 1.94 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 2.13 2.30 0.00 51 H 7.90 4.56 0.00 3.30 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.53 5.31 4.35 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 1.34 0.00 0.00 53 S 8.94 5.03 0.00 3.88 4.08 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 0.00 0.00 0.00 54 A 7.83 5.00 1.30 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 0.00 0.00 0.00 55 I 8.53 4.94 1.81 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.81 0.00 0.00 56 K 9.04 4.57 0.00 1.72 1.40 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.32 7.81 57 V 8.39 4.83 2.06 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 0.82 0.00 0.00 0.89 0.00 0.00 58 R 9.05 4.48 0.00 1.86 1.68 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 59 G 9.08 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 0.00 0.00 0.00 60 K 9.48 4.54 0.00 1.94 1.72 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.65 5.07 1.23 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 0.00 0.00 0.00 62 Y 9.09 4.72 0.00 3.04 2.81 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 63 I 8.34 5.12 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.92 0.00 0.00 64 Q 9.16 5.13 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 65 T 8.50 4.90 4.10 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 1.15 0.00 0.00 66 R 8.48 3.73 0.00 1.62 1.79 0.00 3.21 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 H 7.74 4.65 0.00 3.18 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.77 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 4.53 1.62 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 0.66 0.00 0.00 0.84 0.00 0.00 70 I 8.25 4.61 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.84 0.00 0.00 71 E 8.45 5.11 0.00 1.80 1.80 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 2.30 2.05 0.00 72 S 8.63 4.57 0.00 3.99 3.97 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 73 E 8.54 4.86 0.00 1.82 1.85 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 0.00 2.20 2.28 0.00 74 G 8.53 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 75 K 8.43 4.28 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.44 7.81