NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2410 8.2393 120.8104 55.6528 32.1139 175.6639 2 P 3.8522 0.0000 0.0000 63.5445 32.0974 176.2309 3 D 3.9502 8.1401 120.9828 56.5861 44.1431 178.0214 4 F 4.7920 7.6538 114.9235 59.2138 37.9526 177.3671 5 C 4.5992 7.7933 117.8772 58.5844 39.9922 174.0458 6 L 4.3682 7.5648 118.4792 54.6576 42.0389 176.7159 7 E 4.2749 7.9659 120.2253 54.8817 30.1567 174.7651 8 P 4.3697 0.0000 0.0000 61.7196 32.0476 174.4464 9 P 3.6709 0.0000 0.0000 62.6191 31.5424 175.2424 10 Y 4.5988 7.9226 122.3671 56.0855 39.5926 175.2957 11 T 4.1486 8.2981 125.6591 65.0007 68.8482 176.2854 12 G 3.8499 6.7159 107.3658 43.9740 0.0000 171.0451 13 P 4.4001 0.0000 0.0000 64.3753 32.2933 177.5644 14 C 4.4989 7.8753 116.7397 56.8897 40.7251 173.6553 15 K 4.5005 8.1625 120.5052 56.0764 32.6641 176.5735 16 A 4.1875 7.9832 120.5428 51.8194 20.2384 177.7671 17 R 4.7113 8.3737 120.2340 54.3524 29.9262 173.1142 18 I 4.4259 8.4961 123.8717 58.8915 39.8530 174.4468 19 I 4.2972 8.3346 128.5561 60.9028 37.8818 175.3007 20 R 4.8046 8.1867 125.3608 54.5576 34.7001 173.7651 21 Y 5.6105 9.0954 116.8980 56.6475 41.0936 175.4607 22 F 5.5912 9.6060 116.6840 55.2412 42.0166 173.0775 23 Y 4.2850 9.5098 123.0966 57.9395 39.3224 175.0123 24 N 4.5751 8.3722 127.3773 51.5987 38.5823 175.0597 25 A 3.6772 8.1640 129.0186 54.4836 19.0094 179.1838 26 K 4.0450 8.0217 114.9111 59.3173 32.7092 178.3048 27 A 4.1069 8.0736 120.4650 52.2004 19.0247 177.4587 28 G 4.4566 7.9536 103.8874 45.7572 0.0000 173.0079 29 L 4.6168 6.7265 116.3779 54.4030 44.7213 173.4182 30 C 5.0019 8.7047 117.1320 56.7308 36.8565 173.6088 31 Q 4.8479 8.5236 122.9550 54.1962 31.9548 174.7913 32 T 5.3037 8.4963 110.4560 60.6139 70.7825 173.6655 33 F 4.9142 8.1969 116.0757 56.1983 41.4601 172.6992 34 V 4.2018 8.4457 119.9673 61.9952 32.4076 174.1278 35 Y 4.7364 8.9902 130.7890 56.0329 40.2822 176.1327 36 G 4.1287 8.0912 113.1823 45.9641 0.0000 174.9483 37 G 3.8100 7.2030 108.6297 44.8373 0.0000 171.9404 38 C 4.9443 6.6581 111.1584 54.9182 44.4894 173.0378 39 R 3.8339 8.7980 115.8377 56.7827 26.8980 176.8869 40 A 4.1985 8.4580 118.9944 52.8105 18.9216 178.4495 41 K 4.3848 8.3063 120.3919 55.0228 34.0532 177.1086 42 R 3.7187 8.1640 117.6607 58.9849 30.5509 177.5478 43 N 4.8413 7.9972 117.6562 51.7430 37.2378 175.2767 44 N 4.9501 6.5246 116.4379 53.1459 40.6139 172.8942 45 F 5.0859 9.6090 124.8925 55.6447 42.0834 176.7905 46 K 4.5294 8.8246 121.5378 57.5532 32.8549 177.3631 47 S 4.4502 7.6396 112.8526 55.6203 67.1814 174.6378 48 A 3.3244 7.2750 124.0501 54.8865 17.9016 180.0407 49 E 3.8561 7.7580 116.9955 59.4178 29.5390 178.9079 50 D 4.2609 7.9480 118.9885 57.4194 40.9540 177.8788 51 C 2.4500 7.7238 118.8020 59.4076 44.6756 175.3651 52 M 3.7860 8.2173 119.9329 58.5327 31.5792 178.1360 53 R 3.7928 7.8008 118.0719 59.5465 30.2937 178.4952 54 T 3.9951 7.7241 114.7242 66.6512 68.6893 175.5037 55 C 4.5819 7.9654 116.1986 56.5714 41.2341 174.2290 56 G 3.2540 7.2210 109.5662 48.4771 0.0000 172.2433 57 G 3.8072 8.3828 115.1124 45.0329 0.0000 173.0806 58 A 4.2803 7.5785 128.5427 51.9032 19.1364 177.1156 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 R 8.24 4.24 0.00 1.68 1.93 0.00 3.16 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.75 0.00 2 P 0.00 3.85 0.00 2.09 2.16 0.00 3.67 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 1.94 2.02 0.00 3 D 8.14 3.95 0.00 2.77 2.99 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 4 F 7.65 4.79 0.00 3.30 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.79 4.60 0.00 2.77 3.22 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 6 L 7.56 4.37 0.00 1.80 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.97 4.27 0.00 2.13 1.88 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 2.36 2.47 0.00 8 P 0.00 4.37 0.00 2.08 1.99 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 1.97 1.94 0.00 9 P 0.00 3.67 0.00 0.76 0.49 0.00 3.30 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 10 Y 7.92 4.60 0.00 2.82 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 11 T 8.30 4.15 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 1.15 0.00 0.00 12 G 6.72 3.85 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 0.00 0.00 0.00 13 P 0.00 4.40 0.00 2.17 2.19 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 14 C 7.88 4.50 0.00 2.90 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 15 K 8.16 4.50 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.46 7.81 16 A 7.98 4.19 1.19 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 0.00 0.00 17 R 8.37 4.71 0.00 1.75 1.79 0.00 3.33 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 18 I 8.50 4.43 2.01 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 1.21 0.76 0.98 0.00 0.00 19 I 8.33 4.30 1.81 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 1.27 0.41 0.74 0.00 0.00 20 R 8.19 4.80 0.00 0.99 1.92 0.00 3.44 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 21 Y 9.10 5.61 0.00 3.26 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 22 F 9.61 5.59 0.00 3.08 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 23 Y 9.51 4.29 0.00 3.04 3.21 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 24 N 8.37 4.58 0.00 2.37 2.49 0.00 0.00 6.64 7.46 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 25 A 8.16 3.68 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 26 K 8.02 4.05 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.37 7.81 27 A 8.07 4.11 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 28 G 7.95 4.46 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 0.00 0.00 0.00 29 L 6.73 4.62 0.00 1.74 1.73 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.70 5.00 0.00 2.93 3.24 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 31 Q 8.52 4.85 0.00 1.58 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.13 1.90 0.00 32 T 8.50 5.30 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 0.68 0.00 0.00 33 F 8.20 4.91 0.00 3.07 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 34 V 8.45 4.20 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.99 4.74 0.00 2.52 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.20 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 38 C 6.66 4.94 0.00 3.07 2.99 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 39 R 8.80 3.83 0.00 2.21 2.29 0.00 3.32 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.46 4.20 1.07 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 0.00 0.00 41 K 8.31 4.38 0.00 1.74 1.71 0.00 1.31 0.00 0.00 1.47 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.26 7.81 42 R 8.16 3.72 0.00 1.32 0.80 0.00 2.38 0.00 0.00 2.84 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.34 0.00 43 N 8.00 4.84 0.00 3.19 2.89 0.00 0.00 6.70 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 44 N 6.52 4.95 0.00 2.69 2.66 0.00 0.00 7.09 7.02 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 45 F 9.61 5.09 0.00 3.30 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 46 K 8.82 4.53 0.00 1.83 1.94 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 47 S 7.64 4.45 0.00 4.01 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 48 A 7.28 3.32 0.95 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.76 3.86 0.00 1.98 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 2.34 2.38 0.00 50 D 7.95 4.26 0.00 2.92 2.86 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 51 C 7.72 2.45 0.00 2.89 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 52 M 8.22 3.79 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 53 R 7.80 3.79 0.00 1.90 2.00 0.00 3.29 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 54 T 7.72 4.00 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 1.56 0.00 0.00 55 C 7.97 4.58 0.00 2.52 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 0.00 0.00 0.00 0.00 56 G 7.22 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 0.00 0.00 0.00 57 G 8.38 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 58 A 7.58 4.28 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