NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3199 8.4449 118.7961 56.0135 31.9738 176.3024 4 R 3.9136 7.9536 119.1252 54.8149 31.0781 174.9326 5 P 4.1941 0.0000 0.0000 66.2387 32.2367 178.7339 6 L 3.9367 7.8622 116.7462 57.5934 41.5078 179.2122 7 D 4.3315 8.1402 119.1222 57.3837 40.5820 178.8748 8 V 3.5633 7.6303 116.8041 66.1165 31.8414 177.6697 9 I 3.7005 7.5145 119.2356 64.4603 36.7924 177.8919 10 H 4.1836 8.0776 119.1700 59.1843 29.5273 177.0285 11 R 4.0750 8.0095 118.7117 58.1552 30.2103 177.3926 12 S 4.5378 7.6457 113.7615 57.5837 63.2708 173.7647 13 L 4.2120 7.0147 122.6021 56.3805 41.7683 176.8541 14 D 4.4600 9.5263 121.6257 54.6095 40.6831 173.2169 15 K 4.6551 7.8385 117.0916 54.9099 35.3245 174.8165 16 D 5.0371 8.4394 121.4592 54.3396 42.5596 175.4554 17 V 4.9751 9.1853 118.0558 59.5136 36.8271 174.2363 18 L 4.7965 8.9712 124.4292 53.6205 44.3344 175.6471 19 V 4.5584 9.3243 129.0156 61.6137 32.6761 174.6555 20 I 4.4742 8.7946 130.8893 60.8222 38.3677 176.1642 21 L 4.8759 9.1725 127.5772 52.3643 44.3327 177.1676 22 K 4.3396 7.9142 118.9251 55.4622 29.8324 179.1963 23 K 4.3511 8.2390 114.2001 57.2539 35.5375 177.4961 24 G 4.0167 7.9139 104.9876 46.0083 0.0000 173.3377 25 F 4.5858 7.7474 121.6102 56.9799 40.8914 174.6330 26 E 5.3836 8.7671 124.0412 54.7289 34.3078 174.4126 27 F 5.4416 9.1850 119.5455 55.8332 43.1388 174.1671 28 R 5.0021 8.9924 122.8778 54.8139 33.4597 174.6863 29 G 4.0928 8.4011 111.4150 46.3505 0.0000 171.1111 30 R 4.9328 8.1996 120.9567 54.8143 31.5764 175.7325 31 L 4.7041 8.9299 130.0491 55.2117 42.6386 176.6995 32 I 4.5444 8.3140 119.5545 60.4029 38.7733 175.1345 33 G 4.1560 7.4574 108.8467 46.3633 0.0000 171.5893 34 Y 5.7625 7.9241 117.3127 57.2640 40.4884 171.6627 35 D 4.8245 8.1572 118.3120 51.5517 43.0642 176.0853 36 I 3.7477 8.4727 117.6564 64.0700 37.8387 175.9130 37 H 4.5972 8.1479 115.5709 55.5747 28.8295 175.4955 38 L 3.6716 7.9298 118.4018 55.7177 39.4996 174.2418 39 N 4.9130 8.7511 116.3607 53.4052 39.8755 174.8743 40 V 4.9937 8.7487 114.5378 59.6730 36.7769 174.4270 41 V 4.7940 8.7072 122.5477 61.1715 34.0065 174.4208 42 L 5.4039 8.8290 126.7676 52.8992 45.3438 175.2836 43 A 5.0097 8.8505 123.2875 50.2156 22.3426 175.6963 44 D 4.4656 8.2325 117.8213 55.2792 39.2450 173.9001 45 A 4.9806 8.2600 120.6456 51.2009 21.5959 177.7185 46 E 5.2095 9.6185 119.4655 54.7948 33.5479 174.6901 47 M 4.5010 9.2011 124.8188 54.4205 34.1803 174.6940 48 I 4.6449 8.6690 128.3148 59.9052 39.2020 174.5896 49 Q 4.1392 8.5588 130.0174 54.0642 30.8570 175.0410 50 D 4.4348 9.5959 127.4210 55.3755 39.5469 174.2855 51 G 3.9305 8.6022 104.1558 44.8907 0.0000 173.3522 52 E 4.5292 7.6803 119.8117 53.8620 32.3764 175.2437 53 V 4.3208 8.2056 124.1755 62.5419 30.9999 175.8609 54 V 4.2311 8.2205 120.9828 61.8428 32.5636 176.3278 55 K 4.5909 7.5947 118.4011 55.3935 36.6537 174.8136 56 R 5.2361 7.9549 119.9103 54.9337 34.1429 174.2554 57 Y 4.7101 9.4302 119.7992 56.2793 41.9753 176.8682 58 G 3.6857 8.9650 109.8549 48.9895 0.0000 173.6127 59 K 5.1681 7.8678 120.1935 54.8547 35.5055 175.3187 60 I 4.4452 8.8439 127.0303 59.4980 41.8200 173.3831 61 V 4.4958 8.2755 129.2289 61.6135 32.7449 174.6210 62 I 4.3219 8.4620 129.5729 59.2463 39.4561 175.6562 63 R 4.4997 8.5140 126.6303 55.7214 30.8385 177.9651 64 G 3.6997 9.9023 112.1079 47.9544 0.0000 175.0076 65 D 4.2839 8.2065 118.4737 57.0120 41.3674 176.6341 66 N 4.6719 7.8880 114.2860 52.9804 39.1261 174.7361 67 V 4.0811 7.7351 120.0104 62.5387 32.3702 175.1885 68 L 4.4178 9.2128 129.7218 57.2330 42.7837 176.0741 69 A 4.6399 7.4965 117.3898 51.2000 22.7467 174.8878 70 I 4.9532 8.2613 119.1942 59.5910 40.7492 175.1429 71 S 4.6849 9.0618 121.6883 55.6065 65.1400 171.0194 72 P 4.8083 0.0000 0.0000 62.7480 32.0586 176.4151 73 T 4.2687 8.6591 114.4174 61.6337 68.5080 174.3468 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 3 E 8.44 4.32 0.00 2.09 2.15 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 2.17 2.34 0.00 4 R 7.95 3.91 0.00 2.06 1.88 0.00 3.16 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 5 P 0.00 4.19 0.00 2.12 2.10 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 L 7.86 3.94 0.00 1.64 1.71 0.94 1.08 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 7 D 8.14 4.33 0.00 2.89 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 8 V 7.63 3.56 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 0.83 0.00 0.00 0.95 0.00 0.00 9 I 7.51 3.70 1.36 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.22 0.00 0.00 10 H 8.08 4.18 0.00 3.41 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.01 4.07 0.00 2.03 2.06 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 12 S 7.65 4.54 0.00 4.00 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 13 L 7.01 4.21 0.00 1.65 1.63 0.98 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.53 4.46 0.00 2.76 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 15 K 7.84 4.66 0.00 1.91 1.69 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 16 D 8.44 5.04 0.00 2.82 2.54 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 17 V 9.19 4.98 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 0.62 0.00 0.00 1.01 0.00 0.00 18 L 8.97 4.80 0.00 1.73 1.67 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.32 4.56 2.28 0.00 0.00 0.00 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 0.97 0.00 0.00 20 I 8.79 4.47 1.90 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 1.43 0.72 0.95 0.00 0.00 21 L 9.17 4.88 0.00 1.68 1.51 0.56 0.90 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 22 K 7.91 4.34 0.00 1.65 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 23 K 8.24 4.35 0.00 1.93 1.92 0.00 1.87 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 24 G 7.91 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.75 4.59 0.00 3.17 2.74 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 0.00 0.00 0.00 0.00 26 E 8.77 5.38 0.00 1.92 1.80 0.00 0.00 0.00 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 2.27 0.00 27 F 9.18 5.44 0.00 3.09 2.88 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 28 R 8.99 5.00 0.00 1.95 1.79 0.00 3.23 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 29 G 8.40 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.20 4.93 0.00 1.92 1.83 0.00 3.29 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 31 L 8.93 4.70 0.00 1.83 1.73 1.06 0.76 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 32 I 8.31 4.54 1.88 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 1.27 0.84 0.97 0.00 0.00 33 G 7.46 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 0.00 0.00 0.00 34 Y 7.92 5.76 0.00 2.99 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 35 D 8.16 4.82 0.00 2.71 2.74 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 0.00 0.00 0.00 0.00 36 I 8.47 3.75 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 1.38 0.65 0.65 0.00 0.00 37 H 8.15 4.60 0.00 3.35 3.29 0.00 5.76 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 38 L 7.93 3.67 0.00 1.85 1.82 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.75 4.91 0.00 2.95 2.73 0.00 0.00 6.80 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 40 V 8.75 4.99 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 0.75 0.00 0.00 0.89 0.00 0.00 41 V 8.71 4.79 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 0.95 0.00 0.00 0.91 0.00 0.00 42 L 8.83 5.40 0.00 1.54 1.50 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.85 5.01 1.22 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 0.00 0.00 44 D 8.23 4.47 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.98 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 46 E 9.62 5.21 0.00 1.92 1.87 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 2.26 2.28 0.00 47 M 9.20 4.50 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 48 I 8.67 4.64 1.79 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 1.09 0.86 0.91 0.00 0.00 49 Q 8.56 4.14 0.00 1.62 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.33 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 50 D 9.60 4.43 0.00 2.74 2.63 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 51 G 8.60 3.93 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 0.00 0.00 0.00 52 E 7.68 4.53 0.00 1.92 1.69 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 2.14 2.20 0.00 53 V 8.21 4.32 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 0.89 0.00 0.00 0.97 0.00 0.00 54 V 8.22 4.23 2.01 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 0.62 0.00 0.00 0.85 0.00 0.00 55 K 7.59 4.59 0.00 1.76 1.41 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.56 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.51 7.81 56 R 7.95 5.24 0.00 1.53 1.73 0.00 3.13 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 57 Y 9.43 4.71 0.00 2.88 2.84 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 0.00 0.00 0.00 58 G 8.96 3.69 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 0.00 0.00 0.00 59 K 7.87 5.17 0.00 1.73 1.66 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.48 7.81 60 I 8.84 4.45 1.51 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.02 0.55 0.00 0.00 61 V 8.28 4.50 2.00 0.00 0.00 0.00 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 0.88 0.00 0.00 62 I 8.46 4.32 1.71 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.08 0.81 0.00 0.00 63 R 8.51 4.50 0.00 1.83 1.82 0.00 3.10 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 64 G 9.90 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 65 D 8.21 4.28 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 66 N 7.89 4.67 0.00 2.71 2.76 0.00 0.00 6.59 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 67 V 7.74 4.08 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 0.76 0.00 0.00 0.94 0.00 0.00 68 L 9.21 4.42 0.00 1.65 1.80 0.93 1.26 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 69 A 7.50 4.64 1.21 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 0.00 0.00 0.00 70 I 8.26 4.95 1.85 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 1.24 0.71 0.90 0.00 0.00 71 S 9.06 4.68 0.00 3.85 3.69 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 72 P 0.00 4.81 0.00 2.11 2.03 0.00 3.78 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 1.97 1.94 0.00 73 T 8.66 4.27 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 1.27 0.00 0.00