NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.3474 8.4444 120.2275 55.5466 32.0463 174.8309 22 T 4.3466 7.1258 111.1800 60.4690 71.1337 170.2497 23 H 4.9639 8.7352 127.2414 55.3591 30.6132 173.1255 24 I 4.8477 8.4664 119.2969 59.5226 41.7436 173.3969 25 N 5.2762 8.6629 118.2043 51.3847 40.0662 173.5656 26 L 5.2694 9.1852 122.2684 53.4528 45.9242 175.4873 27 K 4.9067 9.1576 125.9259 55.5018 35.5626 174.9136 28 V 4.8889 8.8639 122.0918 59.9770 33.6873 175.3945 29 S 5.2180 8.7016 121.4535 57.1046 65.9799 172.6811 30 D 4.3497 9.1724 121.2326 54.4152 44.1572 176.0986 31 G 3.4780 7.7985 106.3506 46.6722 0.0000 174.5530 32 S 4.4682 7.9476 115.1026 56.6879 64.4836 174.2721 33 S 4.4915 9.2704 116.4179 57.5944 61.4610 172.4406 34 E 5.0198 8.5702 125.8545 54.6896 31.7888 174.7158 35 I 4.3197 8.9067 124.9582 58.6638 41.8455 174.0379 36 F 5.3978 6.8619 121.9359 55.3719 40.3564 173.6503 37 F 5.1255 9.1210 120.7340 56.3328 43.9652 173.3948 38 K 4.8617 8.8671 119.8540 55.9534 33.6282 176.4084 39 I 4.6679 8.7521 122.9413 58.9908 41.9202 175.4685 40 K 4.5998 8.0442 126.6814 53.8003 31.0548 177.1780 41 K 4.9916 6.9938 115.3664 56.6330 36.0902 175.5814 42 T 3.9129 9.0446 119.1882 65.3809 67.7481 172.7227 43 T 3.8633 7.6997 119.1910 61.1058 66.7781 171.8923 44 P 4.9630 0.0000 0.0000 65.2487 31.7083 178.0269 45 L 4.0258 7.8664 120.3129 58.7115 39.9601 179.5122 46 R 3.9966 7.3584 117.8862 58.9753 30.2748 178.0306 47 R 3.9064 8.2864 119.1278 57.7026 29.8049 177.7499 48 L 3.9791 8.6728 119.8796 58.8628 42.3145 179.2037 49 M 4.0875 7.5333 116.8891 58.4607 32.2828 176.9809 50 E 4.3853 8.8653 118.0443 58.8288 30.5959 176.8760 51 A 3.8965 8.2119 118.7022 56.0098 18.2450 178.7232 52 F 4.1914 8.7914 116.4145 61.3035 39.7891 177.5040 53 A 3.5777 7.7161 118.3723 53.2251 17.9048 178.5730 54 K 4.0505 8.6322 118.7068 57.2263 32.6362 177.4946 55 R 4.2681 7.5184 116.9676 58.2476 31.0213 177.2137 56 Q 4.1833 8.4151 119.2623 58.5796 29.3764 177.7385 57 G 3.8296 7.2968 107.5706 47.1452 0.0000 174.9703 58 K 3.7901 7.8794 120.4615 59.4153 32.4035 177.5006 59 E 4.1431 9.3392 119.0138 56.2419 29.5101 176.0235 60 M 3.5196 7.4466 116.4227 56.7460 30.8389 176.7285 61 D 4.7043 7.8338 116.8043 53.6946 41.9091 176.2206 62 S 5.0304 7.9607 114.2548 56.3500 64.6551 173.7735 63 L 4.7755 8.4989 126.3356 55.3185 40.9855 176.2877 64 R 4.4056 8.0520 121.7649 56.0176 31.3272 174.8452 65 F 4.7860 8.8237 127.0123 56.1873 40.4139 175.0060 66 L 5.2610 8.6870 123.4717 55.9088 43.9450 175.1335 67 Y 4.3286 8.8587 118.1171 59.2813 39.8271 174.7359 68 D 4.5636 7.9193 113.9129 53.4961 44.0015 177.3231 69 G 4.2278 7.4244 105.6696 44.3307 0.0000 173.8647 70 I 4.3655 8.1031 109.5361 60.4131 37.7417 174.3491 71 R 3.9417 8.2218 111.9569 57.3344 28.5449 174.6043 72 I 4.4688 7.3174 109.9644 60.3021 40.5177 173.7989 73 Q 4.6423 8.0185 117.9658 54.5541 32.2019 174.5403 74 A 3.7327 7.7809 121.0245 53.6654 19.1317 178.3203 75 D 5.0731 7.2477 112.9556 53.5845 41.9954 177.6043 76 Q 4.0953 8.1408 119.4723 57.9774 29.8439 175.4972 77 T 4.4299 7.4025 114.8584 62.3359 69.5113 173.7982 78 P 4.4641 0.0000 0.0000 64.0918 31.7601 176.3112 79 E 4.3548 7.9538 118.5489 56.7714 30.7393 176.2045 80 D 4.5913 7.8259 117.2811 56.7433 41.4879 177.6534 81 L 3.9349 7.7411 120.3728 59.1607 40.0240 178.7975 82 D 4.1804 8.1467 117.1563 57.3741 41.1120 176.2059 83 M 4.2751 7.2735 117.4700 55.6915 32.9621 176.5020 84 E 4.1884 8.4784 122.6839 56.7708 30.8268 177.7585 85 D 4.5645 7.7131 120.7897 50.9774 39.5487 172.7776 86 N 4.2132 7.7035 117.3622 53.6045 40.5155 172.3397 87 D 4.7511 8.2123 125.5243 52.9425 42.3151 174.8547 88 I 5.3957 7.9736 124.3817 61.2671 41.2071 173.2106 89 I 4.7310 8.2941 128.3751 60.4263 42.4793 172.6224 90 E 5.1546 9.0584 123.5286 54.5799 32.3700 174.6325 91 A 4.5466 8.7092 128.5784 50.2387 19.9827 175.5575 92 H 4.5691 9.2838 119.8786 56.0596 31.1680 174.2264 93 R 4.7602 8.0555 117.5243 55.4798 31.8357 177.6727 94 E 4.8063 8.1150 116.5238 55.4600 32.4297 173.6606 95 Q 4.4287 8.1242 121.7275 55.0668 30.9927 173.8327 96 I 4.0330 8.1577 118.5969 60.7533 38.0052 176.0434 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 21 E 8.44 4.35 0.00 1.98 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 2.22 2.26 0.00 22 T 7.13 4.35 4.25 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 1.25 0.00 0.00 23 H 8.74 4.96 0.00 3.16 3.24 0.00 5.92 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.47 4.85 1.89 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 1.37 0.61 0.92 0.00 0.00 25 N 8.66 5.28 0.00 2.84 3.00 0.00 0.00 5.41 6.70 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 26 L 9.19 5.27 0.00 1.87 1.60 1.11 0.50 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 27 K 9.16 4.91 0.00 1.85 1.67 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.60 7.81 28 V 8.86 4.89 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 0.97 0.00 0.00 1.11 0.00 0.00 29 S 8.70 5.22 0.00 3.79 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 30 D 9.17 4.35 0.00 2.81 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 31 G 7.80 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.47 0.00 3.80 3.83 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 0.00 0.00 0.00 33 S 9.27 4.49 0.00 4.13 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 34 E 8.57 5.02 0.00 2.11 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 2.24 2.49 0.00 35 I 8.91 4.32 1.86 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.75 0.98 0.00 0.00 36 F 6.86 5.40 0.00 2.89 2.83 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 0.00 0.00 0.00 37 F 9.12 5.13 0.00 2.99 2.81 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 38 K 8.87 4.86 0.00 1.76 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 39 I 8.75 4.67 1.93 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 1.15 0.93 1.03 0.00 0.00 40 K 8.04 4.60 0.00 1.55 1.69 0.00 1.41 0.00 0.00 0.87 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.42 7.81 41 K 6.99 4.99 0.00 1.77 1.70 0.00 1.85 0.00 0.00 2.29 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.23 7.81 42 T 9.04 3.91 4.25 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 1.30 0.00 0.00 43 T 7.70 3.86 4.25 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 1.22 0.00 0.00 44 P 0.00 4.96 0.00 2.30 2.45 0.00 4.02 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 45 L 7.87 4.03 0.00 1.87 1.99 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.36 4.00 0.00 1.80 2.04 0.00 3.33 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 47 R 8.29 3.91 0.00 2.18 1.89 0.00 3.30 0.00 0.00 3.12 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 48 L 8.67 3.98 0.00 1.97 1.85 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 M 7.53 4.09 0.00 2.08 2.38 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 50 E 8.87 4.39 0.00 2.06 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 2.23 2.32 0.00 51 A 8.21 3.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 4.19 0.00 3.12 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 3.58 1.31 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 0.00 0.00 54 K 8.63 4.05 0.00 1.81 1.91 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.45 7.81 55 R 7.52 4.27 0.00 1.85 1.92 0.00 3.42 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 56 Q 8.42 4.18 0.00 2.22 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 57 G 7.30 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.88 3.79 0.00 1.70 1.82 0.00 1.74 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.48 7.81 59 E 9.34 4.14 0.00 1.89 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 2.48 2.29 0.00 60 M 7.45 3.52 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 61 D 7.83 4.70 0.00 2.81 2.68 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 62 S 7.96 5.03 0.00 4.09 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 63 L 8.50 4.78 0.00 1.90 1.92 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.05 4.41 0.00 1.95 1.87 0.00 3.25 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 65 F 8.82 4.79 0.00 3.00 2.93 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 0.00 0.00 0.00 66 L 8.69 5.26 0.00 1.90 1.76 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.86 4.33 0.00 2.97 2.98 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 68 D 7.92 4.56 0.00 2.50 2.44 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 0.00 69 G 7.42 4.23 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 0.00 0.00 0.00 70 I 8.10 4.37 1.89 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 1.47 0.45 0.91 0.00 0.00 71 R 8.22 3.94 0.00 2.06 2.09 0.00 2.63 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 72 I 7.32 4.47 2.02 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 1.50 0.99 1.02 0.00 0.00 73 Q 8.02 4.64 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 74 A 7.78 3.73 1.03 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 0.00 0.00 75 D 7.25 5.07 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 4.10 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 77 T 7.40 4.43 4.22 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 1.22 0.00 0.00 78 P 0.00 4.46 0.00 2.17 2.16 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 79 E 7.95 4.35 0.00 1.93 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 2.21 2.27 0.00 80 D 7.83 4.59 0.00 2.80 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 81 L 7.74 3.93 0.00 1.98 1.92 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.15 4.18 0.00 2.67 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 83 M 7.27 4.28 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 84 E 8.48 4.19 0.00 2.05 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 2.30 2.29 0.00 85 D 7.71 4.56 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.70 4.21 0.00 2.63 2.71 0.00 0.00 7.22 8.48 0.00 0.00 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 D 8.21 4.75 0.00 2.96 2.78 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 0.00 0.00 0.00 88 I 7.97 5.40 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.99 0.00 0.00 89 I 8.29 4.73 1.89 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 1.17 0.48 1.02 0.00 0.00 90 E 9.06 5.15 0.00 2.07 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 0.00 2.15 2.29 0.00 91 A 8.71 4.55 -0.36 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 92 H 9.28 4.57 0.00 2.99 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.06 4.76 0.00 1.66 1.82 0.00 3.38 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 94 E 8.11 4.81 0.00 1.87 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 2.27 2.41 0.00 95 Q 8.12 4.43 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 96 I 8.16 4.03 1.88 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 1.29 0.64 0.92 0.00 0.00