NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1932 8.0093 118.5495 59.4168 36.4752 175.0162 2 P 4.3986 0.0000 0.0000 61.6431 32.2790 173.5498 3 L 4.1962 7.3974 119.2190 55.1410 46.5248 172.7987 4 A 4.3809 8.6841 121.5752 51.3149 19.4323 176.7849 5 R 4.5940 8.2464 123.2437 54.3960 32.1215 175.6942 6 T 4.0982 8.3388 121.7668 63.6037 69.0580 174.0036 7 V 4.6249 8.0741 124.9499 61.1599 35.2665 174.6876 8 R 4.5280 8.7636 125.6796 54.9428 31.7499 173.5352 9 C 5.1133 8.5610 122.4271 55.0226 43.8310 174.5340 10 N 4.3436 9.2502 118.4930 56.1644 38.3388 175.5293 11 C 4.6727 8.4207 115.8542 55.9334 41.2300 172.9704 12 I 4.1006 8.4496 124.8695 62.5110 38.2945 175.6626 13 H 4.8158 7.8781 115.7991 53.9055 30.3588 173.9512 14 I 4.2364 8.1729 125.3848 59.6091 37.2880 175.6240 15 D 4.4746 8.6212 126.8048 54.3601 39.4639 174.4634 16 D 4.6831 8.4287 125.4794 54.0535 41.2334 176.6926 17 G 3.8420 8.9467 108.9901 44.1466 0.0000 171.4951 18 P 4.6951 0.0000 0.0000 61.2001 33.1355 174.2727 19 V 4.0996 7.4818 116.3180 62.6320 33.6230 170.4624 20 R 4.3711 7.3465 114.3058 56.3638 31.6793 174.3376 21 M 4.4265 8.4558 118.5035 54.5682 30.8351 176.2369 22 R 4.5409 7.8089 118.4511 55.3056 33.6644 177.1491 23 A 3.3523 8.4964 124.8815 51.3273 16.9068 180.2820 24 I 3.2373 8.6599 106.8884 63.3563 33.9416 173.0220 25 G 4.0353 8.4027 109.5319 49.0870 0.0000 170.8443 26 K 4.7637 7.7435 119.2327 54.7707 36.0965 174.5264 27 L 5.0970 8.3388 125.9404 53.5322 44.6635 175.1380 28 E 4.6360 9.6950 127.5866 55.0612 31.7191 175.3759 29 I 4.8716 8.2918 123.8162 59.6696 40.2695 174.8792 30 I 4.3757 8.5745 129.0227 58.6799 38.9781 173.9690 31 P 4.6734 0.0000 0.0000 62.3487 32.1656 176.2155 32 A 4.3567 8.5375 123.3094 52.4539 18.7218 176.8252 33 S 4.7275 9.3842 116.5821 56.0034 66.5594 174.8968 34 L 4.0127 8.5862 120.7712 57.9991 42.3094 177.8927 35 S 4.1668 7.7248 110.3690 60.0878 62.6642 172.2813 36 C 4.9999 8.5630 121.6518 54.0317 44.7564 172.0807 37 P 4.8572 0.0000 0.0000 62.1636 31.2104 176.4175 38 R 4.4776 7.2767 110.6051 56.1376 31.7315 175.1570 39 V 3.9941 8.6670 122.1837 63.4048 32.4393 174.7014 40 E 4.7854 8.9041 125.7700 54.6913 32.9074 175.4093 41 I 4.8925 8.1877 122.6071 59.8801 40.7312 174.0027 42 I 4.7910 8.7112 129.0635 59.6754 38.8466 174.8400 43 A 5.0286 9.0682 129.8724 50.7204 21.8032 175.8674 44 T 4.6890 9.0323 119.6418 61.4066 69.1518 172.9396 45 M 4.0955 8.6094 125.2751 55.6256 32.6006 177.4264 46 K 3.8067 9.0620 124.7512 58.7182 32.4793 176.3067 47 K 4.3474 7.6063 116.6799 56.7043 33.6968 176.0044 48 N 4.4427 8.7797 120.1200 52.6454 35.6455 176.0215 49 D 4.5787 7.9725 116.3687 54.4014 41.4362 173.4644 50 E 3.9241 7.7376 119.6697 57.5743 30.4086 175.6227 51 Q 5.2064 8.7071 125.0015 54.3048 31.2792 175.1205 52 R 4.6973 8.9622 121.8900 54.5802 34.2976 173.7131 53 C 5.1065 8.7626 120.4658 55.9117 41.8247 172.6316 54 L 4.9112 8.8817 124.5793 52.8317 43.6804 176.4762 55 N 4.4796 8.6398 120.9517 52.4747 38.4215 173.9316 56 P 4.2629 0.0000 0.0000 65.2825 31.4037 177.1571 57 E 4.2084 7.9948 116.5641 57.1632 30.1406 176.9991 58 S 4.2026 8.1420 115.5162 57.7722 63.1915 173.8055 59 K 3.8043 8.8461 129.3560 60.2946 31.8210 178.6299 60 T 3.8849 8.0074 114.8322 67.1553 68.3431 176.3787 61 I 3.5386 7.5074 121.3261 64.4212 37.0282 178.7486 62 K 4.0137 8.6092 119.6690 59.2493 31.5964 179.1194 63 N 4.4496 8.1412 116.4003 55.7975 38.7018 176.9154 64 L 4.1111 8.5407 122.1024 58.3489 42.4567 178.4669 65 M 4.2136 8.3920 118.4821 58.1776 33.4016 176.9259 66 K 4.6890 8.2898 118.5463 55.3831 29.9307 176.8686 67 A 4.3031 8.3131 117.6439 51.5155 24.7078 176.7805 68 F 4.3173 9.3202 120.2844 58.0630 39.7734 175.2291 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 I 8.01 4.19 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 1.47 1.21 0.91 0.00 0.00 2 P 0.00 4.40 0.00 2.24 2.19 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 3 L 7.40 4.20 0.00 1.57 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.68 4.38 1.24 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 0.00 0.00 0.00 5 R 8.25 4.59 0.00 1.76 1.80 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 6 T 8.34 4.10 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 7 V 8.07 4.62 2.07 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 0.82 0.00 0.00 0.96 0.00 0.00 8 R 8.76 4.53 0.00 1.82 1.78 0.00 3.25 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 9 C 8.56 5.11 0.00 2.83 3.31 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 10 N 9.25 4.34 0.00 2.86 2.87 0.00 0.00 6.94 6.94 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 11 C 8.42 4.67 0.00 3.10 3.01 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 0.00 0.00 0.00 0.00 12 I 8.45 4.10 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.51 0.66 0.00 0.00 13 H 7.88 4.82 0.00 3.10 3.21 0.00 5.88 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 14 I 8.17 4.24 1.88 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 1.30 0.80 0.99 0.00 0.00 15 D 8.62 4.47 0.00 2.64 2.77 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 16 D 8.43 4.68 0.00 2.68 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 17 G 8.95 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 18 P 0.00 4.70 0.00 2.18 2.07 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 19 V 7.48 4.10 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 0.69 0.00 0.00 0.94 0.00 0.00 20 R 7.35 4.37 0.00 1.95 2.03 0.00 2.96 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 21 M 8.46 4.43 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 22 R 7.81 4.54 0.00 1.79 1.79 0.00 3.58 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 23 A 8.50 3.35 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 24 I 8.66 3.24 1.88 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 1.35 0.64 0.96 0.00 0.00 25 G 8.40 4.04 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 0.00 0.00 0.00 26 K 7.74 4.76 0.00 1.81 1.60 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 L 8.34 5.10 0.00 1.62 1.50 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.70 4.64 0.00 1.89 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 2.25 2.27 0.00 29 I 8.29 4.87 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.88 0.00 0.00 30 I 8.57 4.38 1.86 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 1.22 0.86 0.90 0.00 0.00 31 P 0.00 4.67 0.00 1.92 1.99 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 32 A 8.54 4.36 1.20 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 33 S 9.38 4.73 0.00 3.79 3.96 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 0.00 0.00 0.00 34 L 8.59 4.01 0.00 1.60 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.72 4.17 0.00 3.95 3.82 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 36 C 8.56 5.00 0.00 3.09 2.90 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 37 P 0.00 4.86 0.00 2.21 2.11 0.00 3.85 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 1.97 1.94 0.00 38 R 7.28 4.48 0.00 1.75 1.88 0.00 3.08 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 39 V 8.67 3.99 2.07 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 0.83 0.00 0.00 0.94 0.00 0.00 40 E 8.90 4.79 0.00 1.94 1.79 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 2.21 2.24 0.00 41 I 8.19 4.89 2.02 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 1.34 0.80 0.91 0.00 0.00 42 I 8.71 4.79 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 1.16 0.99 0.91 0.00 0.00 43 A 9.07 5.03 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 44 T 9.03 4.69 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 1.27 0.00 0.00 45 M 8.61 4.10 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 46 K 9.06 3.81 0.00 1.66 1.89 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 47 K 7.61 4.35 0.00 1.94 1.80 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 48 N 8.78 4.44 0.00 2.91 3.17 0.00 0.00 6.79 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 49 D 7.97 4.58 0.00 2.81 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 50 E 7.74 3.92 0.00 2.10 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 2.32 2.34 0.00 51 Q 8.71 5.21 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.46 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 52 R 8.96 4.70 0.00 1.70 1.77 0.00 3.19 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 53 C 8.76 5.11 0.00 3.05 3.01 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 0.00 0.00 0.00 0.00 54 L 8.88 4.91 0.00 1.47 1.58 0.97 1.10 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 55 N 8.64 4.48 0.00 2.72 2.73 0.00 0.00 6.82 7.71 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 56 P 0.00 4.26 0.00 2.21 2.18 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.27 0.00 57 E 7.99 4.21 0.00 2.16 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 2.31 2.38 0.00 58 S 8.14 4.20 0.00 3.88 3.96 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 0.00 0.00 0.00 59 K 8.85 3.80 0.00 1.84 1.88 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.57 7.81 60 T 8.01 3.88 4.25 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 1.22 0.00 0.00 61 I 7.51 3.54 2.11 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 1.53 1.09 0.96 0.00 0.00 62 K 8.61 4.01 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.68 7.81 63 N 8.14 4.45 0.00 2.93 2.88 0.00 0.00 6.96 8.22 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 64 L 8.54 4.11 0.00 1.71 1.92 0.94 -0.10 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 65 M 8.39 4.21 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 66 K 8.29 4.69 0.00 1.99 1.87 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.56 7.81 67 A 8.31 4.30 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 68 F 9.32 4.32 0.00 3.00 2.94 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