NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 S 4.4947 8.3349 115.4119 57.7595 65.2467 174.0992 59 D 4.6359 7.5503 119.5946 50.7911 44.8006 174.7229 60 L 4.0021 9.4968 125.1691 57.7236 42.6000 179.4816 61 K 3.9190 8.0253 117.8999 59.6158 31.9892 178.7182 62 D 4.3226 8.1127 118.1172 57.3721 40.7433 178.3177 63 A 3.9941 7.6901 120.8444 55.6719 18.4022 179.6610 64 E 3.9104 8.6347 116.8301 59.2655 29.3483 179.6540 65 A 4.0253 8.1214 121.1106 55.0803 18.4546 179.8099 66 V 3.6356 8.0586 117.0251 66.2441 31.6093 178.1169 67 Q 4.0478 8.3749 118.0122 58.8905 28.6169 178.6886 68 K 3.8882 8.1456 120.4320 59.6470 32.1813 178.3185 69 F 4.1758 8.5788 120.9336 61.2881 39.2655 176.6229 70 F 4.0400 8.7853 120.5459 61.4344 39.2224 176.9192 71 L 3.8004 8.1300 119.8004 57.9544 41.8162 178.4105 72 E 3.8528 8.1620 118.6161 59.7160 29.3558 179.4119 73 E 3.6929 7.8653 118.3155 59.1110 29.3189 179.3244 74 I 3.4615 7.3585 119.8869 64.6026 37.1937 178.5571 75 Q 3.9016 8.2967 119.0695 58.6839 28.4954 178.5984 76 L 4.2401 7.5395 123.1223 57.4196 42.1488 179.0684 77 G 3.6327 8.1660 106.0503 47.7831 0.0000 174.9508 78 E 3.9264 8.3144 122.3577 59.1493 29.5223 178.7911 79 E 3.9367 8.1194 118.3208 59.4460 29.4893 179.4564 80 L 3.9590 8.0343 118.9718 57.6869 41.6757 179.4952 81 L 3.9493 8.0733 118.7387 57.8453 41.3627 179.4980 82 A 4.0678 7.8351 119.8196 54.5350 18.3731 178.6437 83 Q 4.2885 7.6627 113.5006 56.1257 29.1612 176.7763 84 G 3.3880 7.6057 108.9856 46.0844 0.0000 175.2420 85 D 4.5103 7.6236 121.9251 52.9039 38.7737 176.4987 86 Y 4.2156 7.5482 121.4835 60.9009 38.4916 177.0919 87 E 3.9966 8.2532 119.7557 59.2078 29.9206 178.8884 88 K 4.0782 8.0622 118.1641 59.2999 32.2371 179.1700 89 G 3.7018 8.4734 106.4154 48.1465 0.0000 175.6881 90 V 3.6378 8.4052 121.7352 65.3895 31.2314 177.5133 91 D 4.3021 8.0770 117.7322 57.8115 41.2060 178.1522 92 H 4.2767 8.0800 116.2873 58.7754 28.6482 177.7225 93 L 3.9422 7.9415 120.8668 58.1512 41.3425 179.6954 94 T 3.8786 8.0183 115.5624 66.7607 68.1479 176.3631 95 N 4.4332 7.7672 117.1586 56.1758 38.6288 177.0670 96 A 4.1875 7.7722 121.6975 55.3231 18.4779 179.7525 97 I 3.7987 8.0481 118.2410 64.5612 36.9517 178.5024 98 A 4.1232 8.3194 120.9569 54.7934 18.2612 179.0970 99 V 4.1371 7.5525 108.1477 60.6996 32.2244 175.3211 100 C 4.5274 7.5131 120.5793 57.4275 32.6232 173.4843 101 G 3.7102 8.9192 116.6394 48.2507 0.0000 173.6065 102 Q 4.4081 7.6917 121.3689 52.7392 29.8519 172.8699 103 P 4.7889 0.0000 0.0000 62.8800 32.0173 177.4604 104 Q 3.9614 8.0196 121.5363 59.9900 29.0500 177.7700 105 Q 3.9822 8.0885 120.0775 59.1055 29.0746 177.9444 106 L 4.0405 7.9114 120.8424 58.2249 42.2245 178.6800 107 L 4.1964 8.3798 119.2954 57.9096 41.5025 179.6587 108 Q 3.8899 8.2932 118.0219 58.8999 28.6938 178.7680 109 V 3.5662 7.8128 119.1772 66.1735 31.5609 178.0900 110 L 4.0518 8.1498 118.6605 57.7950 41.2318 179.2276 111 Q 2.7470 7.8019 118.8871 58.7860 28.8917 178.0167 112 Q 4.0664 7.8065 117.6891 58.0366 28.9308 177.5273 113 T 4.2805 7.3970 114.9772 63.2184 69.6161 174.8131 114 L 4.7401 7.0312 119.5627 52.0834 43.9682 175.1607 115 P 4.3294 0.0000 0.0000 62.1340 32.9739 175.5888 116 P 4.3402 0.0000 0.0000 65.5800 31.1819 177.1345 117 P 4.2671 0.0000 0.0000 65.8285 30.9889 178.8751 118 V 3.4864 7.6345 111.9375 64.1594 31.6465 178.0982 119 F 4.1707 8.3876 120.4553 61.3057 39.2260 177.2580 120 Q 3.8606 8.3632 117.7735 58.5819 28.2092 177.9688 121 M 3.9662 7.4332 118.8806 58.5724 32.2300 178.0369 122 L 4.0222 7.1114 117.9670 57.6904 42.0726 179.0414 123 L 3.9499 7.1723 118.5973 57.8122 41.9470 179.9419 124 T 4.4533 8.0133 112.2879 60.8489 66.6540 174.7151 125 K 4.2341 8.4529 115.5825 55.5090 33.8173 174.6779 126 L 4.0078 8.2358 122.8830 54.7858 41.2314 174.5339 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 58 S 8.33 4.49 0.00 3.99 4.06 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 59 D 7.55 4.64 0.00 2.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.50 4.00 0.00 1.69 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.03 3.92 0.00 1.79 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 62 D 8.11 4.32 0.00 2.71 2.71 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 0.00 0.00 0.00 0.00 63 A 7.69 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.63 3.91 0.00 2.18 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 0.00 2.34 2.55 0.00 65 A 8.12 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.06 3.64 2.24 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 1.17 0.00 0.00 1.00 0.00 0.00 67 Q 8.37 4.05 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 68 K 8.15 3.89 0.00 1.98 2.14 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 69 F 8.58 4.18 0.00 3.17 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 70 F 8.79 4.04 0.00 3.29 3.31 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 0.00 71 L 8.13 3.80 0.00 1.97 1.69 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.16 3.85 0.00 2.22 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 73 E 7.87 3.69 0.00 1.67 1.92 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 1.47 1.62 0.00 74 I 7.36 3.46 1.74 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.26 0.78 0.00 0.00 75 Q 8.30 3.90 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 76 L 7.54 4.24 0.00 1.67 1.47 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.17 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.31 3.93 0.00 2.10 2.14 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 2.29 2.35 0.00 79 E 8.12 3.94 0.00 2.16 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 2.30 2.38 0.00 80 L 8.03 3.96 0.00 1.78 1.85 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.07 3.95 0.00 1.90 1.81 0.99 0.97 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 82 A 7.84 4.07 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 83 Q 7.66 4.29 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.69 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 84 G 7.61 3.39 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 0.00 85 D 7.62 4.51 0.00 2.66 2.57 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 86 Y 7.55 4.22 0.00 3.10 2.92 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 87 E 8.25 4.00 0.00 2.08 1.97 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 2.39 2.42 0.00 88 K 8.06 4.08 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.50 7.81 89 G 8.47 3.70 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 0.00 0.00 0.00 90 V 8.41 3.64 2.22 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 1.02 0.00 0.00 0.97 0.00 0.00 91 D 8.08 4.30 0.00 2.95 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.08 4.28 0.00 3.33 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.94 3.94 0.00 1.85 1.71 0.94 0.72 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 94 T 8.02 3.88 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 1.22 0.00 0.00 95 N 7.77 4.43 0.00 2.91 3.07 0.00 0.00 7.03 7.22 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 96 A 7.77 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.05 3.80 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.97 0.00 0.00 98 A 8.32 4.12 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 V 7.55 4.14 2.22 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 0.92 0.00 0.00 1.39 0.00 0.00 100 C 7.51 4.53 0.00 3.05 3.11 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 0.00 101 G 8.92 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.69 4.41 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.49 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 103 P 0.00 4.79 0.00 2.33 2.32 0.00 3.73 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 2.08 2.05 0.00 104 Q 8.02 3.96 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 105 Q 8.09 3.98 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 106 L 7.91 4.04 0.00 1.85 1.95 1.03 0.75 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 0.00 107 L 8.38 4.20 0.00 2.00 1.91 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.29 3.89 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 109 V 7.81 3.57 2.26 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 1.04 0.00 0.00 0.97 0.00 0.00 110 L 8.15 4.05 0.00 2.09 1.92 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.80 2.75 0.00 1.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 1.51 1.98 0.00 112 Q 7.81 4.07 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 113 T 7.40 4.28 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 114 L 7.03 4.74 0.00 1.78 1.66 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.33 0.00 2.13 1.98 0.00 3.68 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 2.15 2.20 0.00 116 P 0.00 4.34 0.00 2.16 2.17 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 117 P 0.00 4.27 0.00 2.14 2.25 0.00 3.58 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 1.99 2.01 0.00 118 V 7.63 3.49 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 0.49 0.00 0.00 1.04 0.00 0.00 119 F 8.39 4.17 0.00 3.15 3.20 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 0.00 120 Q 8.36 3.86 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 121 M 7.43 3.97 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 122 L 7.11 4.02 0.00 1.49 1.42 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.17 3.95 0.00 1.65 1.58 0.27 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.01 4.45 4.19 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 1.27 0.00 0.00 125 K 8.45 4.23 0.00 1.74 1.65 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.35 7.81 126 L 8.24 4.01 0.00 1.85 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00