NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 E 4.4038 8.3033 120.1577 56.4861 31.4185 174.4761 21 Y 4.5519 8.6621 120.7762 56.6012 40.0250 173.5117 22 I 4.8400 8.5361 121.7985 59.5265 42.0693 174.0168 23 K 4.8760 8.9158 128.2243 55.7578 33.4702 175.2906 24 L 5.1705 9.4938 127.5751 52.8909 45.1873 175.4836 25 K 4.5687 8.8208 122.5226 55.3514 34.1045 175.8295 26 V 4.6642 8.8417 125.6779 61.4682 33.5303 173.9589 27 I 4.8821 8.6737 130.2979 59.6002 39.1869 176.5271 28 G 4.2039 8.8015 114.9217 45.0188 0.0000 174.6603 29 Q 4.0303 7.8719 116.3645 58.5561 28.7558 177.3269 30 D 4.6829 8.0046 116.4901 53.3878 39.6719 178.1732 31 S 3.9402 7.8810 114.2022 59.4118 61.9147 171.8950 32 S 4.3786 7.4759 115.9867 58.7304 63.9738 173.1164 33 E 5.1017 8.5652 121.5089 54.8023 32.5503 174.3130 34 I 4.5674 8.7507 126.8948 59.8099 40.9512 173.9518 35 H 5.2356 8.6235 123.2888 54.3981 30.3469 174.3718 36 F 4.9867 9.2500 121.3977 55.5662 42.5498 174.5623 37 K 4.9701 8.9229 121.5756 54.8963 34.0226 175.6390 38 V 4.6427 8.6120 125.1187 60.3957 35.5105 174.6649 39 K 3.7886 8.6958 128.1646 56.5492 32.7822 177.7608 40 M 4.0796 8.2429 126.8628 57.7986 32.0882 177.9624 41 T 4.2610 7.4619 106.6275 62.0227 69.9497 175.0495 42 T 4.0157 7.1976 119.7289 63.0600 69.4606 174.3156 43 H 4.3874 8.4161 122.7357 56.3523 29.4506 176.0894 44 L 4.1870 9.3413 122.7663 55.4402 41.4906 179.1852 45 K 3.7831 7.7611 121.1755 59.4653 32.0250 178.6575 46 K 3.8862 7.5685 117.7010 59.2912 31.9782 179.0733 47 L 3.3774 7.5300 120.0734 57.7378 41.9012 179.0638 48 K 3.1580 7.5956 118.6826 59.1310 32.0900 179.2753 49 E 3.9749 8.3504 118.1542 59.0828 29.4696 179.2196 50 S 4.1190 8.0000 114.4591 61.4836 62.5271 175.4561 51 Y 4.2682 8.1379 122.2861 61.0161 38.5046 177.6261 52 C 4.3090 8.7070 118.0253 63.0914 28.2511 176.1945 53 Q 3.9959 8.1485 119.2447 58.7288 28.0001 178.7019 54 R 3.9094 7.5300 118.9699 59.1463 30.2475 177.9323 55 Q 4.1294 7.8941 116.0158 55.6229 29.2474 175.8017 56 G 3.8511 7.5431 107.1283 46.9590 0.0000 173.9545 57 V 4.5295 7.8371 110.8703 58.1599 35.3844 174.4423 58 P 4.5126 0.0000 0.0000 62.4322 32.0711 177.3765 59 M 4.0607 8.7630 119.4149 58.8283 32.0392 177.1568 60 N 5.0200 8.0441 113.3423 53.2429 39.0813 175.9771 61 S 4.4816 7.8280 115.1283 59.2268 63.8766 173.4333 62 L 5.1529 7.8158 119.1474 52.6261 45.6004 175.6956 63 R 4.7828 8.6544 116.1208 54.5255 32.6431 174.4810 64 F 5.1738 9.0213 120.6316 55.8670 41.4687 174.2642 65 L 5.4030 9.2290 124.3901 52.9350 44.9182 175.4330 66 F 5.0190 9.1730 124.5378 57.0496 42.6648 174.5771 67 E 3.5712 9.4108 125.2912 57.2260 26.9495 176.0188 68 G 3.9619 8.3807 106.0436 45.5378 0.0000 174.3642 69 Q 4.3775 7.7987 119.6731 54.5633 29.8912 174.9215 70 R 4.5558 8.4488 122.9693 56.4295 30.8599 175.8491 71 I 4.3159 9.0938 128.4944 60.8456 37.4547 175.9048 72 A 4.2300 8.5804 129.2800 51.1789 19.6475 177.6736 73 D 4.2223 8.8182 119.2261 57.6233 40.9606 178.4307 74 N 4.7975 7.8299 112.5872 53.3412 38.9613 174.9104 75 H 4.6188 8.0751 117.4721 55.7971 29.7697 174.5889 76 T 4.8653 7.9610 111.5822 58.8319 72.9235 173.4635 77 P 4.0770 0.0000 0.0000 65.5424 31.4168 178.9410 78 K 3.8650 7.9540 118.4124 59.6909 31.9591 178.8595 79 E 4.0622 7.8477 116.8883 58.5320 29.3500 178.3005 80 L 4.6087 7.6102 116.4689 52.9773 42.5018 176.4684 81 G 4.0608 7.7264 106.3048 46.6658 0.0000 174.2879 82 M 4.2267 8.3271 118.0819 54.7999 32.6864 176.9981 83 E 4.4936 9.6240 123.4558 54.3192 31.5224 175.1288 84 E 3.9395 8.3974 121.2119 57.7656 29.9026 176.1581 85 E 3.9601 9.0275 125.5279 56.6085 29.1463 173.8260 86 D 4.7187 7.6957 116.9809 54.4808 42.2269 175.2244 87 V 4.8540 8.4824 121.1505 61.7593 33.1292 174.8504 88 I 4.7883 9.2162 129.1332 59.8940 39.4673 174.2927 89 E 4.8270 9.1645 126.8427 54.8923 30.4237 175.0701 90 V 4.2969 8.1317 124.3535 61.2518 34.0238 174.0138 91 Y 5.0436 8.5349 124.2605 56.2018 41.7491 174.2137 92 Q 4.8049 9.4660 124.5634 53.9213 32.0329 174.5654 93 E 4.0760 9.0220 127.2947 56.2953 30.4247 175.5256 94 Q 4.5901 8.5599 124.8739 54.6114 30.2964 175.2398 95 C 4.5102 8.6150 116.4333 57.9305 30.6997 173.9086 96 G 3.7287 7.8975 114.6903 46.0645 0.0000 173.6025 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 20 E 8.30 4.40 0.00 1.87 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 2.29 2.30 0.00 21 Y 8.66 4.55 0.00 2.94 2.89 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 22 I 8.54 4.84 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.98 0.93 0.00 0.00 23 K 8.92 4.88 0.00 1.90 1.92 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.57 7.81 24 L 9.49 5.17 0.00 1.67 1.56 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.82 4.57 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.46 7.81 26 V 8.84 4.66 2.45 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 0.73 0.00 0.00 1.13 0.00 0.00 27 I 8.67 4.88 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.87 0.00 0.00 28 G 8.80 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 0.00 0.00 0.00 0.00 29 Q 7.87 4.03 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.46 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 30 D 8.00 4.68 0.00 2.82 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 31 S 7.88 3.94 0.00 4.00 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 32 S 7.48 4.38 0.00 3.87 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 33 E 8.57 5.10 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.27 0.00 34 I 8.75 4.57 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.43 0.00 0.00 35 H 8.62 5.24 0.00 2.93 3.19 0.00 5.83 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 36 F 9.25 4.99 0.00 2.96 2.89 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 37 K 8.92 4.97 0.00 1.64 1.77 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.42 7.81 38 V 8.61 4.64 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 0.91 0.00 0.00 0.96 0.00 0.00 39 K 8.70 3.79 0.00 1.76 1.55 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 0.81 7.81 40 M 8.24 4.08 0.00 2.11 1.97 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 2.69 2.40 0.00 41 T 7.46 4.26 4.15 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 1.13 0.00 0.00 42 T 7.20 4.02 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 1.18 0.00 0.00 43 H 8.42 4.39 0.00 3.15 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.34 4.19 0.00 1.64 1.53 0.86 -0.53 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 45 K 7.76 3.78 0.00 1.87 1.76 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.58 7.81 46 K 7.57 3.89 0.00 1.84 1.79 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.57 7.81 47 L 7.53 3.38 0.00 1.36 1.44 0.71 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.60 3.16 0.00 1.71 1.44 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.84 7.81 49 E 8.35 3.97 0.00 2.17 2.17 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 2.43 2.29 0.00 50 S 8.00 4.12 0.00 4.02 4.01 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 51 Y 8.14 4.27 0.00 3.39 3.26 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 0.00 0.00 0.00 0.00 52 C 8.71 4.31 0.00 3.17 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 53 Q 8.15 4.00 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 54 R 7.53 3.91 0.00 1.91 1.79 0.00 3.27 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 55 Q 7.89 4.13 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 56 G 7.54 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 57 V 7.84 4.53 2.12 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 0.82 0.00 0.00 1.00 0.00 0.00 58 P 0.00 4.51 0.00 2.21 2.00 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 59 M 8.76 4.06 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 60 N 8.04 5.02 0.00 2.78 2.84 0.00 0.00 6.86 7.57 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 61 S 7.83 4.48 0.00 3.96 4.03 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 62 L 7.82 5.15 0.00 1.28 1.58 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.65 4.78 0.00 1.91 2.03 0.00 2.66 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 64 F 9.02 5.17 0.00 3.02 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 65 L 9.23 5.40 0.00 1.73 1.65 0.90 0.74 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 66 F 9.17 5.02 0.00 3.05 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.41 3.57 0.00 1.76 1.70 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 1.47 1.57 0.00 68 G 8.38 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 0.00 0.00 0.00 69 Q 7.80 4.38 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 70 R 8.45 4.56 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 71 I 9.09 4.32 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.91 0.00 0.00 72 A 8.58 4.23 0.98 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 0.00 0.00 0.00 0.00 0.00 73 D 8.82 4.22 0.00 2.73 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 74 N 7.83 4.80 0.00 2.63 2.80 0.00 0.00 6.93 8.16 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 75 H 8.08 4.62 0.00 3.37 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.96 4.87 4.37 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 1.20 0.00 0.00 77 P 0.00 4.08 0.00 2.08 2.01 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 78 K 7.95 3.87 0.00 1.86 1.78 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 79 E 7.85 4.06 0.00 2.10 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 2.34 2.33 0.00 80 L 7.61 4.61 0.00 1.55 1.77 0.88 0.72 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 81 G 7.73 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 0.00 0.00 0.00 82 M 8.33 4.23 0.00 1.69 1.89 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.89 0.00 83 E 9.62 4.49 0.00 2.16 1.91 0.00 0.00 0.00 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 2.44 0.00 84 E 8.40 3.94 0.00 1.93 1.89 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 2.31 2.39 0.00 85 E 9.03 3.96 0.00 2.18 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 0.00 2.23 2.36 0.00 86 D 7.70 4.72 0.00 2.83 2.82 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 87 V 8.48 4.85 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 0.84 0.00 0.00 0.98 0.00 0.00 88 I 9.22 4.79 1.94 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 1.29 0.66 1.12 0.00 0.00 89 E 9.16 4.83 0.00 2.05 1.65 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 2.26 2.30 0.00 90 V 8.13 4.30 1.79 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 0.31 0.00 0.00 0.38 0.00 0.00 91 Y 8.53 5.04 0.00 2.92 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 92 Q 9.47 4.80 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 93 E 9.02 4.08 0.00 1.98 1.85 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 2.30 2.34 0.00 94 Q 8.56 4.59 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 95 C 8.62 4.51 0.00 3.07 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 96 G 7.90 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 0.00 0.00 0.00 0.00