NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5064 8.3049 120.3633 54.9076 33.7630 172.4193 2 I 3.1164 7.4454 122.2264 58.8203 37.6204 168.8031 3 V 3.0360 8.5438 124.6630 62.1489 32.8783 173.6305 4 P 4.4482 0.0000 0.0000 61.0756 31.2242 176.4350 5 V 3.4936 8.4068 123.3714 64.4853 31.8425 174.6053 6 R 4.0198 8.4362 126.2433 55.1481 29.5054 175.2753 7 C 4.2471 8.0679 118.4931 58.3809 31.9487 173.5380 8 F 4.5807 7.7755 124.5778 59.8908 38.9356 176.8373 9 S 4.1802 8.0432 119.0123 62.4215 63.3583 176.1585 10 C 4.1776 7.9469 113.9164 61.9680 30.0826 174.2872 11 G 4.0657 8.2839 105.7685 44.0642 0.0000 173.5791 12 K 4.0314 8.1725 122.9800 55.5876 32.7570 175.9839 13 V 3.7721 8.1912 125.0967 64.0816 31.6754 176.5896 14 V 4.4034 8.1850 124.8823 63.0557 31.8376 174.6683 15 G 3.8772 8.3134 108.4471 46.0400 0.0000 175.1651 16 D 4.6785 8.0681 119.1994 55.3589 40.6620 178.6651 17 K 3.9561 8.2190 119.2621 59.5118 31.7696 177.3819 18 W 4.4947 8.3298 128.5603 60.3501 30.5271 177.1708 19 E 3.7254 8.5324 117.6989 59.9412 29.1850 179.9874 20 S 4.1976 8.0036 114.3956 61.7621 62.8332 175.9109 21 Y 3.9654 7.9653 121.1962 60.3471 38.4797 177.0407 22 L 3.5335 8.3455 120.9771 56.5128 41.9113 177.8414 23 N 4.4137 7.1909 115.2478 56.0661 38.9173 177.0314 24 L 4.1484 7.8969 116.3715 55.4670 41.2253 177.4642 25 L 4.1687 8.2832 118.4079 56.4854 43.8591 178.6150 26 Q 3.8797 7.2818 118.7410 59.2723 28.2194 177.2469 27 E 4.0843 7.3101 118.2451 58.4493 29.9942 178.9378 28 D 4.6028 8.3640 124.0998 58.8810 40.4608 178.6123 29 E 3.9974 8.7185 119.4918 56.3309 26.1287 176.4373 30 L 4.9781 7.8730 119.8843 52.7959 46.7001 175.2420 31 D 4.4236 8.4862 118.8464 54.3046 41.1729 177.6363 32 E 3.2459 8.8796 115.8953 55.2306 30.6087 179.9484 33 G 4.0543 8.2826 109.8450 48.7784 0.0000 174.7875 34 T 3.9365 8.2008 118.7909 66.0569 68.4397 176.4930 35 A 3.9652 7.8141 121.7888 55.3562 18.5326 179.5177 36 L 3.9893 7.9085 117.1938 58.2760 41.5446 179.8481 37 S 4.2453 7.8991 113.6359 61.6949 62.8340 176.6341 38 R 4.1120 7.9136 120.8335 59.1328 29.8697 177.7431 39 L 4.2887 7.6032 115.8037 55.8493 41.5849 177.6786 40 G 3.9965 7.8469 108.3055 45.3287 0.0000 174.4414 41 L 4.1226 6.9801 117.4639 55.0400 38.9911 176.7389 42 K 4.1498 7.6924 124.3403 57.9634 32.7970 177.3851 43 R 4.3527 7.7402 115.3699 55.6999 32.0442 176.8920 44 Y 4.3307 9.1346 120.8212 60.8604 37.8161 178.3293 45 C 3.8020 8.1515 115.6315 61.6880 28.9950 175.3544 46 C 4.3592 7.8823 115.5622 58.6045 29.7046 175.5936 47 R 3.7950 7.5433 121.1980 59.4990 29.8856 178.7171 48 R 3.9285 8.7442 116.4158 59.4033 29.0383 178.0120 49 M 3.6691 7.4581 117.6624 58.9095 31.8645 178.4365 50 I 3.7920 6.9053 118.3636 64.1690 37.5725 178.0255 51 L 4.0643 7.6953 119.2784 57.3192 41.8615 177.3715 52 T 4.3673 7.5756 113.9361 65.0851 70.3236 174.7330 53 H 3.8570 7.6029 119.9924 56.7745 29.9947 174.0929 54 V 4.0828 8.1442 126.2206 61.0367 32.6588 176.2235 55 D 4.6630 8.1610 130.8618 53.5868 39.4162 176.2255 56 L 3.7439 8.1361 124.7879 58.6902 42.0875 179.6249 57 I 4.1071 7.8891 117.5936 64.1766 38.2533 176.8443 58 E 4.0139 8.0798 119.3460 59.6875 28.9718 179.7089 59 K 3.9188 8.5112 118.3498 59.0000 31.7518 179.6821 60 F 4.8133 7.0951 115.2194 60.8108 39.3569 177.4460 61 L 4.2793 8.9374 118.9021 57.2483 41.0834 177.8887 62 R 4.5903 7.3256 116.6375 57.5991 31.0299 176.3326 63 Y 4.2702 7.6699 113.7164 56.4718 40.4433 176.8134 64 N 4.0966 8.2850 129.3708 53.7495 43.3272 172.9325 65 P 4.4915 0.0000 0.0000 62.8739 31.7316 176.4667 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 M 8.30 4.51 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 2 I 7.45 3.12 1.83 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 1.20 0.15 0.83 0.00 0.00 3 V 8.54 3.04 1.96 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 0.75 0.00 0.00 0.43 0.00 0.00 4 P 0.00 4.45 0.00 1.85 1.98 0.00 3.50 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 5 V 8.41 3.49 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 0.80 0.00 0.00 0.93 0.00 0.00 6 R 8.44 4.02 0.00 2.00 2.06 0.00 3.32 0.00 0.00 3.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 7 C 8.07 4.25 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.58 0.00 2.98 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 9 S 8.04 4.18 0.00 3.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.95 4.18 0.00 3.08 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 11 G 8.28 4.07 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 0.00 12 K 8.17 4.03 0.00 1.81 1.70 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.43 7.81 13 V 8.19 3.77 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 0.88 0.00 0.00 0.94 0.00 0.00 14 V 8.18 4.40 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 0.77 0.00 0.00 1.00 0.00 0.00 15 G 8.31 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 16 D 8.07 4.68 0.00 2.96 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 17 K 8.22 3.96 0.00 1.94 2.03 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.58 1.65 7.81 18 W 8.33 4.49 0.00 3.35 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 19 E 8.53 3.73 0.00 2.13 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 0.00 2.49 2.62 0.00 20 S 8.00 4.20 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 3.97 0.00 2.89 3.06 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 0.00 0.00 0.00 0.00 22 L 8.35 3.53 0.00 0.81 1.22 0.62 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.19 4.41 0.00 3.12 2.80 0.00 0.00 7.04 6.54 0.00 0.00 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 7.90 4.15 0.00 1.46 1.53 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.28 4.17 0.00 1.24 1.40 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.28 3.88 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 27 E 7.31 4.08 0.00 2.01 1.75 0.00 0.00 0.00 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 2.28 0.00 28 D 8.36 4.60 0.00 2.57 2.65 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 29 E 8.72 4.00 0.00 1.85 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 0.00 2.28 2.33 0.00 30 L 7.87 4.98 0.00 1.62 1.48 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.49 4.42 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.88 3.25 0.00 2.17 1.94 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 2.48 2.65 0.00 33 G 8.28 4.05 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 0.00 0.00 0.00 34 T 8.20 3.94 4.43 0.00 0.00 0.00 0.00 0.00 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 35 A 7.81 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 3.99 0.00 1.86 1.76 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.90 4.25 0.00 4.03 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 38 R 7.91 4.11 0.00 1.89 2.11 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 39 L 7.60 4.29 0.00 1.87 1.75 1.15 1.18 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 40 G 7.85 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 41 L 6.98 4.12 0.00 1.71 1.68 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.69 4.15 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 43 R 7.74 4.35 0.00 2.34 2.15 0.00 3.28 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 44 Y 9.13 4.33 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.15 3.80 0.00 3.06 3.02 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 46 C 7.88 4.36 0.00 3.15 3.18 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 47 R 7.54 3.79 0.00 2.21 2.05 0.00 3.25 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 48 R 8.74 3.93 0.00 2.03 2.22 0.00 2.74 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.02 0.00 49 M 7.46 3.67 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 50 I 6.91 3.79 1.68 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.45 0.00 0.00 51 L 7.70 4.06 0.00 1.60 1.84 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.58 4.37 4.33 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 1.22 0.00 0.00 53 H 7.60 3.86 0.00 2.86 3.06 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.14 4.08 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 0.83 0.00 0.00 0.98 0.00 0.00 55 D 8.16 4.66 0.00 2.68 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 56 L 8.14 3.74 0.00 1.70 1.06 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.89 4.11 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 1.06 0.00 0.00 58 E 8.08 4.01 0.00 2.08 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 0.00 2.63 2.60 0.00 59 K 8.51 3.92 0.00 1.54 1.72 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.36 7.81 60 F 7.10 4.81 0.00 3.35 3.08 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 61 L 8.94 4.28 0.00 1.92 1.80 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.33 4.59 0.00 1.91 1.66 0.00 3.18 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 63 Y 7.67 4.27 0.00 3.26 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 64 N 8.28 4.10 0.00 2.71 2.57 0.00 0.00 6.90 7.69 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 65 P 0.00 4.49 0.00 2.22 2.02 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00