NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5563 8.0433 122.7631 54.8790 43.9833 175.0562 2 K 5.0485 9.1315 125.3986 54.5489 35.0445 173.2798 3 C 5.4473 9.9791 121.9014 55.1320 45.2787 173.0335 4 N 5.4724 9.3949 118.8351 53.3556 39.5448 174.2721 5 Q 4.8370 8.5301 117.7999 53.6026 32.3885 176.1695 6 L 4.2075 8.7454 119.3626 56.9160 42.0657 177.7858 7 I 4.3172 7.2475 110.6308 57.7806 39.8456 173.0000 8 P 3.0402 0.0000 0.0000 62.0406 31.2381 174.9319 9 P 4.2779 0.0000 0.0000 63.1315 31.5458 177.5594 10 F 4.3748 8.9730 117.0762 58.1618 37.1689 173.8294 11 W 5.9091 7.2355 116.5897 55.4885 31.6199 173.5615 12 K 3.9193 9.1873 118.7094 56.7011 35.9013 173.8759 13 T 5.0887 8.2273 117.0420 62.2581 69.8993 175.8214 14 C 4.6642 8.9594 124.0151 55.9570 37.9017 172.2075 15 P 4.5746 0.0000 0.0000 61.7892 31.8316 176.1674 16 K 4.2266 8.2990 120.0255 58.0839 32.4896 175.8684 17 G 4.1595 9.1875 110.9014 45.5706 0.0000 173.9605 18 K 4.4428 7.5097 120.0704 54.8307 30.5664 175.9334 19 N 5.0604 8.1913 122.5619 52.1744 38.3804 175.4200 20 L 5.0346 7.7497 117.1332 54.3094 46.4182 175.1872 21 C 5.3392 9.2387 120.4299 56.3207 37.1547 172.3257 22 Y 5.5454 8.7075 119.3387 55.6055 42.0501 173.8377 23 K 4.8058 9.0655 120.4973 55.2323 36.2467 174.1334 24 M 4.9694 8.9563 127.5142 54.1079 34.5804 174.6387 25 T 4.9361 8.4608 114.6762 60.1300 73.5248 172.5406 26 M 4.4520 8.4109 121.6551 54.8384 32.6164 177.7598 27 R 3.7753 8.8011 124.4011 59.4298 30.3572 177.3945 28 A 4.1855 7.9061 117.6287 53.4661 18.8677 177.1296 29 A 4.7051 7.9230 118.7751 49.6201 18.7469 175.1598 30 P 4.3583 0.0000 0.0000 64.3624 32.0637 178.2116 31 M 4.1575 7.8834 117.0568 55.5737 32.4099 175.9101 32 V 4.2083 7.1473 118.5942 59.8923 32.2378 173.0613 33 P 4.5205 0.0000 0.0000 62.6525 32.0367 176.5804 34 V 4.0225 8.2963 121.1334 64.1406 32.4987 176.3714 35 K 4.6845 7.5166 117.0879 54.7516 35.6868 175.2524 36 R 4.5091 7.5795 121.3869 55.2274 33.7649 173.3276 37 G 4.4673 6.9839 114.6978 46.7934 0.0000 170.9987 38 C 5.5182 8.9470 120.7827 55.5533 37.0633 172.5040 39 I 4.5940 8.5629 121.9558 60.1559 41.1413 175.0145 40 D 4.5099 8.5641 121.5701 54.2170 40.3453 177.0977 41 V 4.3616 7.2033 116.9739 60.3105 34.4623 174.9546 42 C 4.3523 8.5925 126.1571 55.3089 44.0737 171.7303 43 P 4.2416 0.0000 0.0000 61.9072 31.4667 176.1975 44 K 4.0780 8.1186 120.5432 56.5818 32.4302 177.7232 45 S 4.8111 8.5172 120.1352 58.0975 63.9341 172.8025 46 S 4.6911 8.7313 115.6709 56.8410 65.9193 173.5057 47 L 4.0927 8.7120 120.9281 58.4452 41.9373 178.3611 48 L 4.2973 7.8909 117.3250 55.8747 42.5061 176.1546 49 I 4.8811 7.5277 119.3746 59.0685 40.4556 174.5594 50 K 4.8833 8.7618 127.4046 54.7378 35.0178 174.0574 51 Y 5.1841 8.9311 124.8800 56.4651 40.2954 174.6168 52 M 4.7740 9.1864 124.6485 54.0134 34.5955 173.8891 53 C 5.8779 8.7783 122.5314 55.6797 43.9050 171.9043 54 C 5.0991 8.8880 115.4038 54.1234 45.3108 173.0695 55 N 5.2344 8.4899 115.3026 53.0260 37.0611 174.2703 56 T 4.6399 7.7095 107.4693 60.3466 71.6767 172.8394 57 D 4.6840 8.8437 122.8982 56.4688 41.2225 176.9610 58 K 3.9123 8.6274 123.9061 57.5870 30.1847 173.9069 59 C 4.4938 7.8874 112.1613 56.5365 42.6115 173.2924 60 N 4.5224 8.0283 122.4524 52.9594 37.2371 174.7090 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 L 8.04 4.56 0.00 1.83 1.65 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.13 5.05 0.00 1.78 1.83 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.63 1.59 7.81 3 C 9.98 5.45 0.00 2.89 2.96 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 4 N 9.39 5.47 0.00 2.72 2.82 0.00 0.00 6.70 7.28 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 5 Q 8.53 4.84 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 6 L 8.75 4.21 0.00 1.68 1.82 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.25 4.32 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.89 0.00 0.00 8 P 0.00 3.04 0.00 1.78 1.68 0.00 3.40 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 9 P 0.00 4.28 0.00 2.17 2.19 0.00 3.49 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 10 F 8.97 4.37 0.00 3.42 3.28 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 0.00 0.00 0.00 0.00 11 W 7.24 5.91 0.00 3.25 3.05 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 12 K 9.19 3.92 0.00 1.65 1.69 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.41 7.81 13 T 8.23 5.09 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 1.28 0.00 0.00 14 C 8.96 4.66 0.00 2.89 3.17 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 0.00 0.00 0.00 0.00 15 P 0.00 4.57 0.00 2.19 1.97 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 16 K 8.30 4.23 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.39 7.81 17 G 9.19 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.51 4.44 0.00 1.93 1.82 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.37 7.81 19 N 8.19 5.06 0.00 2.83 2.90 0.00 0.00 6.09 7.79 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 20 L 7.75 5.03 0.00 1.74 1.60 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.24 5.34 0.00 2.92 3.03 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 0.00 0.00 0.00 22 Y 8.71 5.55 0.00 3.19 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 23 K 9.07 4.81 0.00 1.78 1.64 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.33 7.81 24 M 8.96 4.97 0.00 2.11 1.81 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 1.61 2.19 0.00 25 T 8.46 4.94 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 1.22 0.00 0.00 26 M 8.41 4.45 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 27 R 8.80 3.78 0.00 1.76 1.96 0.00 3.33 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 28 A 7.91 4.19 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.92 4.71 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 30 P 0.00 4.36 0.00 2.18 2.19 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 31 M 7.88 4.16 0.00 2.01 2.13 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 2.55 2.45 0.00 32 V 7.15 4.21 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 0.81 0.00 0.00 0.92 0.00 0.00 33 P 0.00 4.52 0.00 2.19 2.01 0.00 3.79 0.00 0.00 3.63 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 34 V 8.30 4.02 2.05 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 0.79 0.00 0.00 0.91 0.00 0.00 35 K 7.52 4.68 0.00 1.94 1.77 0.00 1.91 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 36 R 7.58 4.51 0.00 1.69 1.63 0.00 3.23 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 37 G 6.98 4.47 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 0.00 38 C 8.95 5.52 0.00 3.03 3.07 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 0.00 0.00 0.00 0.00 39 I 8.56 4.59 1.67 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.12 0.89 0.00 0.00 40 D 8.56 4.51 0.00 2.80 2.85 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 0.00 0.00 0.00 41 V 7.20 4.36 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.89 0.00 0.00 42 C 8.59 4.35 0.00 2.96 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 43 P 0.00 4.24 0.00 0.49 1.28 0.00 3.30 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.58 0.00 44 K 8.12 4.08 0.00 1.72 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 45 S 8.52 4.81 0.00 3.93 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 46 S 8.73 4.69 0.00 3.88 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 47 L 8.71 4.09 0.00 1.61 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.89 4.30 0.00 1.75 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.53 4.88 1.87 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 1.04 0.45 0.78 0.00 0.00 50 K 8.76 4.88 0.00 1.80 1.58 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 51 Y 8.93 5.18 0.00 2.85 2.88 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 52 M 9.19 4.77 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 53 C 8.78 5.88 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 5.10 0.00 3.00 3.17 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 0.00 0.00 0.00 0.00 55 N 8.49 5.23 0.00 2.79 2.89 0.00 0.00 5.84 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 T 7.71 4.64 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 57 D 8.84 4.68 0.00 2.68 2.69 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 0.00 0.00 0.00 0.00 58 K 8.63 3.91 0.00 1.87 1.89 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.37 7.81 59 C 7.89 4.49 0.00 3.14 3.28 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 0.00 0.00 0.00 0.00 60 N 8.03 4.52 0.00 2.83 2.85 0.00 0.00 5.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00