NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7648 8.4293 120.3902 55.4346 32.1374 174.0216 5 P 4.6145 0.0000 0.0000 59.3445 30.2796 170.1253 6 V 3.8496 8.3045 119.9924 61.6391 34.6669 174.6507 7 P 4.4530 0.0000 0.0000 63.5191 31.0407 175.8624 8 K 4.7310 8.5157 122.4661 57.8338 38.8266 175.3172 9 K 4.1605 7.9982 121.5681 57.2119 34.9778 174.4584 10 K 4.1630 8.0274 120.4618 55.8305 31.1567 176.4491 11 T 4.0978 8.5638 112.4921 62.3106 69.8640 175.1808 12 S 3.8919 8.4242 121.3239 59.7560 62.1400 172.7733 13 K 3.8927 8.8967 117.9661 59.3203 31.1737 179.5940 14 A 3.3839 7.0604 116.6573 53.8747 20.2721 178.8186 15 R 3.7738 9.0943 114.7280 58.3587 30.2449 178.9189 16 R 3.7938 8.3291 118.2672 59.5254 30.5863 177.7604 17 D 4.4780 9.2931 118.8725 54.9788 40.2944 179.4633 18 A 4.2154 6.7111 126.6494 57.6602 19.7461 178.9108 19 R 3.9382 8.5525 118.6551 58.0797 29.9351 178.1639 20 R 3.7451 8.3791 119.7905 59.9505 30.6816 178.0734 21 S 4.2024 8.5219 115.2059 60.8939 62.6299 175.4745 22 H 4.1578 8.6062 125.2750 58.6544 29.8904 175.9310 23 H 3.6210 8.3512 113.4698 55.6598 28.5369 175.6369 24 A 3.9812 7.2714 125.9988 51.8575 19.3422 177.7777 25 L 4.7008 8.1247 118.1656 54.2314 43.2238 176.1046 26 T 4.5003 8.3967 112.1585 59.3607 71.2804 170.9582 27 P 4.7807 0.0000 0.0000 60.0027 33.5373 172.6127 28 P 4.4417 0.0000 0.0000 62.0189 31.6879 176.2178 29 T 3.9733 8.4584 120.7891 63.7284 68.6931 173.4635 30 L 5.0511 8.1249 124.9191 53.5769 46.3086 175.2747 31 V 4.7362 8.6982 113.6733 58.6889 36.6897 173.0640 32 P 4.8211 0.0000 0.0000 62.9655 31.9956 176.8504 33 C 4.3714 9.0963 122.7219 56.0380 44.5481 173.0990 34 P 4.7153 0.0000 0.0000 62.8269 30.6857 175.2976 35 E 4.6988 8.3645 126.5912 57.4139 37.4300 178.0748 36 C 4.8454 8.3148 124.1963 57.8407 31.2415 173.6608 37 K 4.3017 8.8887 114.4604 57.2524 33.2647 177.5166 38 A 4.4831 7.6109 125.6327 48.4142 24.2282 173.7117 39 M 5.1094 7.9806 112.7169 56.3747 34.8791 174.4756 40 K 4.2213 8.3102 118.1888 55.7308 36.0530 172.7646 41 P 4.7914 0.0000 0.0000 61.6195 32.0022 176.0518 42 P 4.1360 0.0000 0.0000 64.2296 31.8664 176.3562 43 H 5.3372 8.1133 120.1212 54.5897 29.6972 173.1817 44 T 4.4653 8.7648 112.1985 61.5833 72.3971 176.8630 45 V 3.7539 8.4706 118.7774 62.9210 32.1988 174.3390 46 C 4.7011 7.9795 114.5583 58.0418 31.3293 173.1264 47 P 4.6997 0.0000 0.0000 63.2278 31.7284 175.6190 48 E 4.7197 8.7043 120.9586 57.3434 33.1917 176.1024 49 C 4.9401 8.8029 121.3864 56.1545 38.0249 176.2345 50 G 4.2341 7.8929 109.5180 45.3754 0.0000 170.7953 51 Y 4.4350 7.8883 118.3153 57.4010 41.0837 172.2004 52 Y 4.4488 7.6554 111.5917 59.3429 44.2243 174.8766 53 A 4.0033 7.3384 116.5554 50.4526 20.3279 174.6950 54 G 4.1083 9.5335 108.3044 45.5939 0.0000 171.0231 55 R 4.8020 8.6547 123.5480 58.9947 30.4008 178.4720 56 K 3.8207 8.1311 111.2606 57.3230 32.1031 175.1453 57 V 4.2094 7.2918 112.0327 59.3606 35.7676 171.2057 58 L 4.0343 9.7138 128.6955 54.5740 43.2203 170.9213 59 E 3.9924 8.9664 130.9678 55.8477 30.3198 174.4496 60 V 3.9975 7.9771 121.1296 62.2911 30.9636 173.5596 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 4 H 8.43 4.76 0.00 3.10 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.61 0.00 2.13 1.48 0.00 3.69 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 6 V 8.30 3.85 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 0.74 0.00 0.00 0.93 0.00 0.00 7 P 0.00 4.45 0.00 2.05 1.15 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 8 K 8.52 4.73 0.00 1.69 1.77 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.37 7.81 9 K 8.00 4.16 0.00 1.78 1.86 0.00 1.44 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 1.35 7.81 10 K 8.03 4.16 0.00 1.87 2.22 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.21 7.81 11 T 8.56 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 12 S 8.42 3.89 0.00 4.16 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 13 K 8.90 3.89 0.00 1.78 1.83 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.46 7.81 14 A 7.06 3.38 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 15 R 9.09 3.77 0.00 1.84 1.95 0.00 3.13 0.00 0.00 3.09 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 16 R 8.33 3.79 0.00 1.92 2.04 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 17 D 9.29 4.48 0.00 3.02 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.71 4.22 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 3.94 0.00 1.84 1.86 0.00 3.11 0.00 0.00 3.14 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 20 R 8.38 3.75 0.00 2.08 2.02 0.00 3.19 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 21 S 8.52 4.20 0.00 4.02 4.02 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 0.00 0.00 0.00 22 H 8.61 4.16 0.00 3.14 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.35 3.62 0.00 3.68 3.04 0.00 5.83 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 24 A 7.27 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 25 L 8.12 4.70 0.00 1.69 1.59 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.40 4.50 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 27 P 0.00 4.78 0.00 2.18 2.09 0.00 3.76 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 1.90 1.92 0.00 28 P 0.00 4.44 0.00 2.21 2.11 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 29 T 8.46 3.97 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 30 L 8.12 5.05 0.00 1.48 1.52 0.94 0.92 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 31 V 8.70 4.74 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 0.75 0.00 0.00 1.01 0.00 0.00 32 P 0.00 4.82 0.00 2.09 2.08 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 33 C 9.10 4.37 0.00 3.43 3.19 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 34 P 0.00 4.72 0.00 2.55 2.44 0.00 3.91 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 2.06 2.09 0.00 35 E 8.36 4.70 0.00 2.17 1.77 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 2.11 2.23 0.00 36 C 8.31 4.85 0.00 3.11 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 37 K 8.89 4.30 0.00 1.64 1.30 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.54 7.81 38 A 7.61 4.48 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 39 M 7.98 5.11 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 40 K 8.31 4.22 0.00 1.75 1.70 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.29 1.61 7.81 41 P 0.00 4.79 0.00 2.30 2.18 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 42 P 0.00 4.14 0.00 2.01 2.12 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 43 H 8.11 5.34 0.00 3.10 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.76 4.47 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 1.28 0.00 0.00 45 V 8.47 3.75 1.95 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 0.65 0.00 0.00 0.92 0.00 0.00 46 C 7.98 4.70 0.00 3.21 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.18 2.17 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 48 E 8.70 4.72 0.00 1.85 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 2.22 2.26 0.00 49 C 8.80 4.94 0.00 3.08 3.35 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 50 G 7.89 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 0.00 0.00 0.00 0.00 51 Y 7.89 4.43 0.00 2.79 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 52 Y 7.66 4.45 0.00 2.79 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 53 A 7.34 4.00 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 54 G 9.53 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 0.00 0.00 0.00 55 R 8.65 4.80 0.00 1.74 2.04 0.00 2.57 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.17 0.00 56 K 8.13 3.82 0.00 2.00 1.98 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81 57 V 7.29 4.21 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 0.74 0.00 0.00 0.98 0.00 0.00 58 L 9.71 4.03 0.00 1.70 1.70 0.90 0.93 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 59 E 8.97 3.99 0.00 2.11 1.91 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 2.16 2.26 0.00 60 V 7.98 4.00 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 0.65 0.00 0.00 0.92 0.00 0.00