NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 H 4.7627 8.4449 120.3888 55.7708 30.4987 172.5029 60 L 4.4059 8.4082 127.2463 53.1725 42.2839 175.4808 61 L 4.3754 10.3458 124.6080 54.9597 43.7363 176.4472 62 I 4.3173 7.7908 121.5780 59.8450 38.8179 176.3713 63 R 4.0927 8.4188 122.8543 56.1335 29.8182 176.3676 64 K 4.2776 8.7590 122.1694 58.6304 32.1948 179.2032 65 L 4.1125 7.8393 120.1548 57.6201 42.2515 176.5590 66 P 4.2137 0.0000 0.0000 65.9568 31.1977 178.2254 67 F 4.0829 8.3742 118.4438 60.3494 39.1495 176.5768 68 S 4.0876 8.1444 112.7862 60.2125 62.7030 175.9636 69 R 3.7775 7.7200 120.2676 59.4249 29.8691 177.9329 70 L 3.6748 7.4985 118.9738 58.4870 41.8646 178.5924 71 A 3.6331 7.3758 122.2165 56.0382 18.2301 180.5846 72 R 3.6913 7.7256 118.7718 61.4249 29.4911 180.3693 73 E 4.1541 8.4840 120.7522 59.1245 29.3917 179.1403 74 I 3.6890 8.0455 120.2977 64.4115 37.2099 178.0013 75 C 4.2831 8.2048 119.6492 62.6476 31.4448 175.8265 76 V 3.9182 8.5251 120.0808 65.7589 30.8647 177.7466 77 K 4.1290 7.9067 116.8522 57.8836 32.0325 178.3976 78 F 4.6025 7.6061 120.7865 60.8185 39.8047 177.4185 79 T 3.7510 8.5420 109.7838 63.2066 68.4814 175.8744 80 R 4.2546 7.8472 118.6882 54.9032 29.1108 176.5515 81 G 4.5369 6.8175 117.1992 46.2331 0.0000 174.0992 82 V 3.6528 7.3366 120.8946 62.3133 32.0954 174.3958 83 D 4.7370 8.3164 126.9446 53.0793 41.9243 175.2604 84 F 4.8610 8.7158 124.2895 55.7215 42.4615 174.1157 85 N 5.0710 8.5846 120.0242 51.5896 40.3850 174.6142 86 W 4.6052 8.6036 120.5135 54.5767 31.3045 176.0326 87 Q 4.1231 8.7726 122.5166 55.9674 29.1020 177.7559 88 A 4.1862 8.8241 124.5064 55.2018 18.7883 179.0704 89 Q 4.2034 8.1095 115.2658 57.7916 29.9634 177.6622 90 A 4.1002 8.6130 120.6233 55.6562 18.6747 179.3240 91 L 4.0261 8.2921 116.9873 57.9563 41.5623 179.6318 92 L 3.9210 8.0020 119.4181 58.1915 42.1752 178.7545 93 A 4.2476 7.8118 121.6619 54.4115 18.2789 179.1632 94 L 3.9412 8.2291 118.8282 58.5693 42.2400 178.9537 95 Q 3.0699 8.1732 119.2344 58.8282 28.7711 177.9452 96 E 3.8361 8.3322 119.5876 59.6712 29.7261 179.3847 97 A 4.1156 8.0777 120.1525 54.9607 18.5002 179.5190 98 A 3.9964 8.4617 119.6104 55.3947 18.6142 179.7789 99 E 3.8998 8.5371 117.2069 59.6458 29.6340 179.5957 100 A 4.1730 8.4411 120.8921 54.6553 18.2402 179.5185 101 F 4.1950 8.2089 119.3417 61.3628 39.5247 177.5137 102 L 3.5660 7.8260 118.1962 57.5903 41.3864 179.7486 103 V 3.7244 7.9807 118.2424 66.3963 31.4896 177.6665 104 H 4.3698 8.0277 117.5976 58.9397 29.5903 177.0101 105 L 3.6450 7.8828 122.5793 58.1471 41.5723 178.6669 106 F 4.3858 8.2695 118.0169 60.9330 38.7915 177.7860 107 E 4.1019 8.2826 117.7722 59.5531 29.4953 178.7868 108 D 4.3863 8.2821 118.7547 57.6748 40.9840 179.1205 109 A 4.0822 8.2867 120.7694 54.9656 18.1861 178.8961 110 Y 4.1699 7.6366 119.3683 59.7123 38.9899 177.3668 111 L 3.8861 8.1622 120.0881 57.6812 41.6002 179.3546 112 L 3.8722 7.7835 118.4846 58.4592 41.6301 179.1470 113 T 3.6000 7.6235 115.0125 66.9602 68.2773 175.9399 114 L 3.9347 7.6234 120.3876 58.4460 41.5809 179.1827 115 H 4.0314 8.3601 116.3645 59.2830 29.7120 176.2629 116 A 4.2497 7.8186 119.3566 52.1133 18.1317 178.7431 117 G 3.8199 8.1178 108.3250 46.6587 0.0000 174.8183 118 R 4.2857 6.9986 117.5495 55.5519 31.0878 176.3948 119 V 4.3689 7.9568 108.5923 60.9702 33.6005 175.8045 120 T 4.5741 7.5844 117.1343 61.1817 69.7859 173.9910 121 L 4.3086 8.7642 129.1935 55.1082 42.9308 175.8736 122 F 5.3124 9.3221 124.8768 55.0210 41.6550 174.7577 123 P 4.3625 0.0000 0.0000 65.9363 31.0090 179.1191 124 K 4.1134 8.2537 116.9993 59.7790 32.5090 178.8699 125 D 4.3438 8.3716 120.2908 57.3796 40.8629 178.8722 126 V 3.6059 7.8152 118.0886 66.2248 31.5896 177.9432 127 Q 4.0421 8.5583 118.2361 58.5762 28.4585 178.4956 128 L 3.9041 8.1610 121.3431 58.0538 42.2311 178.6197 129 A 3.9664 7.9646 120.7369 55.5777 18.2677 179.9335 130 R 3.9214 7.9577 116.1759 59.2142 29.8446 179.2826 131 R 3.9404 7.5455 117.6447 59.1703 30.1588 178.1306 132 I 3.9949 7.6690 118.6905 63.5268 37.2599 178.2196 133 R 4.0829 7.7581 118.9062 58.5431 30.0747 176.7675 134 G 4.0383 8.1003 111.0772 45.7157 0.0000 173.1055 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 59 H 8.44 4.76 0.00 3.05 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.41 4.41 0.00 1.71 1.51 0.87 0.73 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 61 L 10.35 4.38 0.00 1.54 1.66 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.79 4.32 1.83 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 1.32 0.52 1.02 0.00 0.00 63 R 8.42 4.09 0.00 1.73 1.82 0.00 3.26 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 64 K 8.76 4.28 0.00 1.75 1.96 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.51 7.81 65 L 7.84 4.11 0.00 1.70 1.66 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.21 0.00 2.24 2.14 0.00 3.68 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 2.15 2.19 0.00 67 F 8.37 4.08 0.00 3.20 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 68 S 8.14 4.09 0.00 4.23 3.76 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 69 R 7.72 3.78 0.00 1.82 1.90 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 70 L 7.50 3.67 0.00 1.68 1.47 0.84 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.38 3.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.73 3.69 0.00 1.83 1.95 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 73 E 8.48 4.15 0.00 1.93 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 0.00 2.28 2.34 0.00 74 I 8.05 3.69 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.86 0.00 0.00 75 C 8.20 4.28 0.00 3.22 3.23 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 76 V 8.53 3.92 2.21 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 1.09 0.00 0.00 1.04 0.00 0.00 77 K 7.91 4.13 0.00 2.10 1.90 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 78 F 7.61 4.60 0.00 2.94 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.54 3.75 4.54 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 0.00 0.00 0.00 1.45 0.00 0.00 80 R 7.85 4.25 0.00 1.90 2.03 0.00 3.32 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 81 G 6.82 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.34 3.65 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.94 0.00 0.00 83 D 8.32 4.74 0.00 2.60 2.43 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 0.00 84 F 8.72 4.86 0.00 3.03 2.75 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 0.00 0.00 0.00 85 N 8.58 5.07 0.00 2.73 2.79 0.00 0.00 6.79 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.60 4.61 0.00 3.26 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 87 Q 8.77 4.12 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 88 A 8.82 4.19 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 89 Q 8.11 4.20 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 90 A 8.61 4.10 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.29 4.03 0.00 1.96 1.84 0.92 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.00 3.92 0.00 1.98 1.70 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.81 4.25 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.23 3.94 0.00 2.08 2.10 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.17 3.07 0.00 1.54 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.52 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 96 E 8.33 3.84 0.00 2.21 1.99 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 2.32 2.31 0.00 97 A 8.08 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.46 4.00 1.43 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 0.00 0.00 0.00 99 E 8.54 3.90 0.00 2.05 1.98 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 2.25 2.28 0.00 100 A 8.44 4.17 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 0.00 0.00 0.00 0.00 0.00 101 F 8.21 4.20 0.00 3.20 3.30 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 0.00 102 L 7.83 3.57 0.00 1.99 1.64 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.98 3.72 2.11 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 1.04 0.00 0.00 1.01 0.00 0.00 104 H 8.03 4.37 0.00 3.33 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.88 3.65 0.00 0.96 1.14 0.71 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.27 4.39 0.00 3.30 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 0.00 107 E 8.28 4.10 0.00 2.24 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 0.00 2.37 2.68 0.00 108 D 8.28 4.39 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.29 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.64 4.17 0.00 3.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.16 3.89 0.00 1.84 1.68 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.78 3.87 0.00 1.92 1.68 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.62 3.60 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 114 L 7.62 3.93 0.00 1.59 1.60 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.36 4.03 0.00 3.12 3.46 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.82 4.25 1.18 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 0.00 0.00 117 G 8.12 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 0.00 0.00 0.00 118 R 7.00 4.29 0.00 1.53 1.60 0.00 2.21 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 119 V 7.96 4.37 2.16 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 0.76 0.00 0.00 0.95 0.00 0.00 120 T 7.58 4.57 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 121 L 8.76 4.31 0.00 1.79 1.73 1.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 122 F 9.32 5.31 0.00 3.18 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.36 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 124 K 8.25 4.11 0.00 2.04 2.15 0.00 1.59 0.00 0.00 1.92 0.00 0.00 3.33 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.75 1.65 7.81 125 D 8.37 4.34 0.00 2.94 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 0.00 126 V 7.82 3.61 2.23 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 0.99 0.00 0.00 1.01 0.00 0.00 127 Q 8.56 4.04 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 128 L 8.16 3.90 0.00 1.98 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.96 3.97 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 0.00 130 R 7.96 3.92 0.00 2.05 2.01 0.00 3.12 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 131 R 7.55 3.94 0.00 2.11 2.04 0.00 3.42 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 132 I 7.67 3.99 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.89 0.00 0.00 133 R 7.76 4.08 0.00 1.94 2.00 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 134 G 8.10 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