NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3362 8.2544 119.7066 55.6336 32.3447 175.5024 9 V 4.2224 7.4155 115.9038 59.6652 34.6354 172.8412 10 N 4.4933 9.4520 126.8831 53.4646 40.3413 175.5324 11 V 3.8147 8.4197 117.6460 63.4973 31.7320 176.6996 12 Q 4.6175 9.6683 117.9077 55.6087 29.9311 176.3291 13 R 4.6073 7.8311 118.1651 52.8235 30.5430 174.0913 14 P 4.3108 0.0000 0.0000 65.1315 31.8050 177.3359 15 L 4.1306 7.8490 116.3319 56.5476 41.5207 178.5442 16 D 4.4944 8.1710 119.3744 56.8265 40.4892 178.2403 17 A 3.9467 7.7320 120.9170 54.7559 18.6673 179.4682 18 L 3.8806 7.5038 117.7488 57.7804 41.6913 179.7042 19 G 3.9503 7.9186 105.1537 48.1302 0.0000 175.2379 20 N 4.5505 8.3915 117.7173 55.1023 38.4071 176.6598 21 S 4.6936 7.5257 115.0061 57.0700 63.5489 173.6915 22 L 4.0123 7.2821 121.6990 56.6273 41.7741 176.7507 23 N 4.3411 9.6071 119.3376 54.2085 36.6976 173.9549 24 S 4.8317 7.6044 110.8055 55.7949 67.3617 171.1306 25 P 4.9526 0.0000 0.0000 62.8770 31.8642 176.3559 26 V 4.7362 9.0252 116.7684 59.7004 36.6676 174.1842 27 I 4.9135 8.8177 122.5781 59.7147 39.8895 175.0626 28 I 4.5499 9.0636 127.9475 59.3855 39.7867 174.4881 29 K 4.2817 8.4228 130.1027 55.2850 33.0768 176.1817 30 L 4.9309 8.2595 127.6033 52.7720 43.9632 176.5317 31 K 3.9663 8.6115 120.1887 57.1002 32.9504 177.2179 32 G 3.6506 8.9421 108.7454 47.1640 0.0000 174.0966 33 D 4.3770 8.1416 114.6689 54.5672 40.1403 172.3208 34 R 4.5567 7.2588 116.1070 55.3956 31.8772 174.7245 35 E 5.1199 8.6232 123.5208 54.9420 33.8366 173.6788 36 F 5.2785 9.2351 122.7838 55.7222 43.2945 174.3862 37 R 5.0206 8.7264 120.2692 54.8456 33.8968 174.9853 38 G 4.0951 8.2850 109.5240 45.8926 0.0000 171.7847 39 V 4.4784 8.0278 120.5463 61.8615 32.5677 175.2321 40 L 4.5101 8.7467 131.4201 55.4512 42.3243 177.2026 41 K 4.2128 8.8762 125.3794 57.3272 34.8302 176.0995 42 S 4.7660 7.9221 111.7861 57.8464 65.5887 173.8213 43 F 5.4572 8.0958 117.4149 56.2516 40.6175 172.5408 44 D 4.9858 8.6726 119.8089 51.0606 41.9588 176.3724 45 L 4.1971 8.3218 117.8606 58.2719 40.5013 177.2567 46 H 4.5070 8.3375 116.4211 56.0901 29.0319 176.2190 47 M 3.3374 8.2716 118.0743 55.7677 30.0540 176.4247 48 N 4.9284 8.0917 117.1737 53.6350 39.8255 173.9558 49 L 5.0931 8.7662 121.8365 54.6972 44.7539 174.2802 50 V 4.7996 8.7144 119.9739 61.2214 33.9605 174.4122 51 L 5.2975 8.8926 127.1697 53.1206 45.1363 175.1384 52 N 5.2066 9.0933 119.0437 51.7753 41.5897 174.1018 53 D 4.5908 8.2421 119.7217 55.4955 38.9652 173.3236 54 A 5.1024 8.3234 121.1117 50.3872 22.5220 176.9771 55 E 4.9889 9.2032 120.9292 54.7598 32.2180 174.7911 56 E 4.0408 9.1062 125.5525 54.8834 31.4989 174.8401 57 L 5.2477 8.8612 125.9480 53.1715 46.3454 175.3779 58 E 4.7940 8.8576 120.8306 55.3681 33.6127 175.4901 59 D 4.3316 8.7377 121.7232 54.5151 40.2935 174.1851 60 G 3.9009 8.2879 102.5507 45.4336 0.0000 173.4506 61 E 4.6135 7.7067 119.1728 53.8689 31.5497 175.6800 62 V 4.1261 8.2292 122.9593 63.2048 32.2621 175.4861 63 T 4.4660 8.7730 118.1413 63.5224 70.3774 174.4560 64 R 4.5724 7.5145 116.2582 55.3001 32.9745 173.3228 65 R 5.1633 8.5171 119.2057 54.5497 32.2994 174.7708 66 L 4.7823 9.3365 125.9863 52.8093 44.8609 177.8418 67 G 3.6847 8.8905 110.4552 49.4049 0.0000 173.4804 68 T 5.4255 7.6744 114.8345 61.8214 72.9146 174.1692 69 V 4.3831 8.7570 124.0877 60.2049 35.1976 173.0829 70 L 4.9403 8.4676 126.4082 53.5602 43.5689 175.0917 71 I 4.4069 8.4265 127.6698 59.4122 39.8976 175.4876 72 R 4.5517 8.5496 126.2646 55.5292 30.9316 177.9875 73 G 3.8112 9.4077 111.7965 48.0151 0.0000 175.0842 74 D 4.3389 8.0694 117.9623 56.3863 41.4610 176.2323 75 N 4.6816 8.0332 114.9702 53.9012 39.2416 174.8462 76 I 4.3856 7.6282 120.2294 60.9049 38.2305 175.4164 77 V 4.2664 8.9111 125.4388 64.6300 32.3554 175.1151 78 Y 5.0087 7.1344 115.9264 56.1138 41.5417 172.9557 79 I 5.1795 8.3859 119.4800 59.7876 41.1961 174.9846 80 S 4.7737 9.2633 120.8957 55.6063 66.0135 172.1551 81 P 4.4362 0.0000 0.0000 63.1100 31.1997 176.0288 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 8 R 8.25 4.34 0.00 1.81 2.06 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 9 V 7.42 4.22 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 10 N 9.45 4.49 0.00 2.77 2.67 0.00 0.00 7.22 7.71 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 11 V 8.42 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 9.67 4.62 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 13 R 7.83 4.61 0.00 1.92 1.83 0.00 3.30 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 14 P 0.00 4.31 0.00 2.07 2.09 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 15 L 7.85 4.13 0.00 1.80 1.84 0.94 1.28 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 16 D 8.17 4.49 0.00 3.05 2.73 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 17 A 7.73 3.95 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 18 L 7.50 3.88 0.00 0.36 0.20 0.46 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.92 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.39 4.55 0.00 2.83 2.90 0.00 0.00 6.94 8.34 0.00 0.00 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 S 7.53 4.69 0.00 3.96 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 22 L 7.28 4.01 0.00 1.73 1.68 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.61 4.34 0.00 2.86 2.93 0.00 0.00 6.74 6.82 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 24 S 7.60 4.83 0.00 3.84 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 25 P 0.00 4.95 0.00 1.97 2.05 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 26 V 9.03 4.74 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 0.96 0.00 0.00 1.00 0.00 0.00 27 I 8.82 4.91 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 1.00 0.00 0.00 28 I 9.06 4.55 1.97 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 1.17 1.11 0.91 0.00 0.00 29 K 8.42 4.28 0.00 0.79 0.74 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.98 1.16 7.81 30 L 8.26 4.93 0.00 1.68 1.66 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.61 3.97 0.00 1.63 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.57 7.81 32 G 8.94 3.65 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 0.00 0.00 0.00 33 D 8.14 4.38 0.00 2.91 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.26 4.56 0.00 1.94 1.73 0.00 3.19 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 35 E 8.62 5.12 0.00 1.96 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.43 0.00 36 F 9.24 5.28 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.73 5.02 0.00 1.75 1.81 0.00 3.17 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 8.28 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.03 4.48 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 0.98 0.00 0.00 0.95 0.00 0.00 40 L 8.75 4.51 0.00 1.85 1.56 1.03 0.49 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 41 K 8.88 4.21 0.00 1.62 1.81 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.64 7.81 42 S 7.92 4.77 0.00 3.84 3.64 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 43 F 8.10 5.46 0.00 3.13 2.97 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 0.00 0.00 0.00 44 D 8.67 4.99 0.00 2.86 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 45 L 8.32 4.20 0.00 1.77 1.83 0.88 0.39 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 46 H 8.34 4.51 0.00 3.39 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.27 3.34 0.00 2.22 2.25 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 2.55 2.51 0.00 48 N 8.09 4.93 0.00 2.92 2.76 0.00 0.00 6.55 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.77 5.09 0.00 1.91 1.81 0.88 0.74 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 50 V 8.71 4.80 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 1.00 0.00 0.00 0.91 0.00 0.00 51 L 8.89 5.30 0.00 1.51 1.51 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.09 5.21 0.00 2.60 2.70 0.00 0.00 7.28 7.62 0.00 0.00 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 D 8.24 4.59 0.00 2.76 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 54 A 8.32 5.10 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 55 E 9.20 4.99 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 56 E 9.11 4.04 0.00 1.74 1.63 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 1.90 1.47 0.00 57 L 8.86 5.25 0.00 1.47 1.51 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.86 4.79 0.00 1.75 1.73 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 2.13 2.11 0.00 59 D 8.74 4.33 0.00 2.80 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 60 G 8.29 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 4.61 0.00 2.01 1.81 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 2.22 2.19 0.00 62 V 8.23 4.13 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 0.83 0.00 0.00 0.90 0.00 0.00 63 T 8.77 4.47 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 64 R 7.51 4.57 0.00 1.88 2.05 0.00 2.95 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 65 R 8.52 5.16 0.00 1.83 1.84 0.00 3.19 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 66 L 9.34 4.78 0.00 1.62 1.54 1.09 0.26 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 67 G 8.89 3.68 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 0.00 68 T 7.67 5.43 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 1.24 0.00 0.00 69 V 8.76 4.38 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 0.49 0.00 0.00 0.53 0.00 0.00 70 L 8.47 4.94 0.00 1.60 1.55 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.43 4.41 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.18 0.87 0.00 0.00 72 R 8.55 4.55 0.00 1.87 1.84 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 73 G 9.41 3.81 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 0.00 0.00 0.00 74 D 8.07 4.34 0.00 2.63 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 75 N 8.03 4.68 0.00 2.98 2.84 0.00 0.00 6.83 6.58 0.00 0.00 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 I 7.63 4.39 2.00 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 1.18 0.48 0.92 0.00 0.00 77 V 8.91 4.27 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 0.92 0.00 0.00 0.94 0.00 0.00 78 Y 7.13 5.01 0.00 2.99 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 79 I 8.39 5.18 1.88 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 1.22 0.67 0.90 0.00 0.00 80 S 9.26 4.77 0.00 3.93 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 81 P 0.00 4.44 0.00 2.22 2.01 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00