NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.9349 8.0244 121.4531 62.0911 37.2967 172.0632 10 D 3.9944 8.4367 121.8315 53.3030 38.5944 171.1662 11 P 4.2618 0.0000 0.0000 64.7781 32.8559 176.2449 12 R 4.0149 7.8699 119.4148 57.8434 28.9138 176.7793 13 I 4.6871 7.7158 132.2733 62.9276 37.0009 174.8729 14 H 4.6424 7.1868 123.4020 56.2131 27.9914 176.8033 15 Y 3.2594 9.0315 129.2290 58.4705 37.5582 170.6501 16 L 4.2034 9.4764 115.7652 55.4825 42.4333 177.0888 17 V 4.1913 7.1036 118.7811 58.9315 31.3576 173.9953 18 P 4.4621 0.0000 0.0000 62.6289 32.0217 176.0227 19 K 4.2255 8.4933 120.3349 56.6527 33.0541 176.6193 20 H 5.1118 8.4532 124.4124 57.1757 31.6206 174.2887 21 E 4.8712 8.3362 114.2577 56.6610 33.5054 175.5705 22 V 4.3641 8.5084 123.3087 61.7920 32.7467 175.3769 23 L 4.1994 8.3584 128.4456 54.7905 42.3595 177.2102 24 N 4.4492 9.5350 122.8841 53.0738 37.6777 177.3965 25 I 3.1301 7.6306 122.9232 63.9352 38.1194 177.3728 26 D 4.3312 8.5640 120.3341 57.2346 41.2641 177.7578 27 E 4.1051 8.3581 116.3624 58.8366 30.9109 177.8340 28 A 3.7043 8.1559 116.1497 56.2510 17.8624 177.8559 29 Y 3.9942 5.9547 116.3427 58.2146 39.1992 177.0464 30 K 4.2352 7.8561 121.7791 58.4574 32.3174 178.6148 31 I 3.7394 7.9086 120.8742 63.9664 36.9111 178.0311 32 L 3.6779 7.7214 119.4418 57.6488 41.0575 179.1441 33 K 3.6939 7.4435 117.0600 59.8295 32.0914 178.0460 34 E 4.3192 7.5972 115.4560 56.8497 29.3157 176.6171 35 L 4.4926 7.8403 117.3099 54.4187 41.9763 176.8403 36 G 3.7985 7.4228 105.0360 46.2324 0.0000 173.5649 37 I 4.7224 7.1217 110.5026 58.7461 41.1084 174.2202 38 R 4.4063 7.7502 118.8632 53.3281 32.6038 175.5363 39 P 3.6570 0.0000 0.0000 65.4702 31.4188 178.0203 40 E 3.1319 7.6602 116.9812 58.6457 29.2611 177.6634 41 Q 4.0897 6.8365 121.8201 54.7887 28.0262 174.3434 42 L 4.2930 7.8067 121.9607 54.7022 42.7277 173.4736 43 P 4.2661 0.0000 0.0000 64.5501 31.4015 176.2839 44 W 4.1574 9.0791 125.6554 57.6439 31.3761 172.8149 45 I 4.7113 8.3205 121.8500 59.4681 40.6407 173.6855 46 R 4.4643 8.5512 127.0167 55.3895 31.0703 175.9902 47 A 4.1402 8.7943 128.2675 55.6823 18.5277 179.5277 48 S 4.2644 8.0747 107.0581 59.7349 63.0121 174.2403 49 D 4.5526 8.1764 121.8913 53.6012 41.4273 175.3098 50 P 4.3976 0.0000 0.0000 64.8806 31.8199 177.8842 51 V 3.9617 7.7150 117.2092 64.3750 32.1253 177.3133 52 A 4.0965 7.7948 120.1114 54.6988 18.6893 179.0026 53 R 4.0200 7.9192 115.1337 56.6038 30.3047 177.2612 54 S 4.2879 8.0703 112.1126 59.1072 62.4313 175.8209 55 I 3.7373 5.4200 118.7113 62.2493 36.1810 174.5755 56 N 3.8333 6.7883 116.8888 53.3492 34.4187 172.0795 57 A 4.6689 8.0778 123.3206 49.9690 21.1821 176.4137 58 K 4.3957 8.3345 122.6373 54.0510 33.5762 174.2703 59 P 4.4166 0.0000 0.0000 65.4178 29.9191 174.3916 60 G 3.6537 7.1255 117.4954 45.5177 0.0000 172.0147 61 D 4.7998 7.5412 122.4979 51.7258 39.7432 175.0585 62 I 3.8529 8.0449 115.7564 61.5288 38.8459 175.4448 63 I 4.4787 8.5402 124.8493 61.0130 39.0258 174.8848 64 R 4.8937 8.9179 127.1105 54.6553 29.5119 175.1734 65 I 3.8668 8.1755 124.7798 60.9581 38.6652 175.0845 66 I 5.3695 8.0646 124.9803 58.4862 37.5035 175.2063 67 R 4.2984 7.9760 122.5903 55.5314 31.6141 176.5536 68 K 4.7307 8.3725 119.1292 55.7999 33.0811 176.0517 69 S 4.7924 8.3837 115.0729 57.0012 65.9735 174.2541 70 Q 4.5264 8.9021 121.8639 55.9197 29.4369 176.2091 71 L 4.5821 8.1114 117.4632 54.9528 43.6392 175.9028 72 Y 4.9086 9.3864 115.9551 59.8969 40.4572 175.2355 73 G 3.5411 7.1907 109.1089 44.3927 0.0000 172.8021 74 E 5.4462 7.0160 123.0868 56.6597 32.4774 176.5990 75 V 4.5925 8.0212 120.7669 61.7963 35.2900 174.3213 76 V 4.2586 8.2639 127.2204 62.3888 33.5689 173.8986 77 S 4.2244 7.3388 117.1848 58.2698 66.6918 173.4549 78 Y 5.9123 8.1403 118.4295 54.7741 42.1849 175.7477 79 R 4.6991 8.3755 121.7800 55.8711 33.0652 174.8297 80 Y 4.6673 9.2589 134.5050 58.9020 43.2349 172.5202 81 V 4.4454 10.1291 116.6346 65.0268 32.1912 171.0007 82 I 3.9328 7.8558 124.5332 62.0445 37.9145 174.3827 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 9 I 8.02 3.93 1.89 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 1.31 1.07 0.93 0.00 0.00 10 D 8.44 3.99 0.00 2.83 2.64 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 11 P 0.00 4.26 0.00 2.20 2.04 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.07 0.00 12 R 7.87 4.01 0.00 1.86 1.91 0.00 3.30 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 13 I 7.72 4.69 1.78 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 1.19 0.22 0.74 0.00 0.00 14 H 7.19 4.64 0.00 3.32 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.03 3.26 0.00 3.24 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 16 L 9.48 4.20 0.00 1.73 1.73 1.34 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.10 4.19 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 0.78 0.00 0.00 0.94 0.00 0.00 18 P 0.00 4.46 0.00 2.10 2.09 0.00 3.80 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 2.03 2.00 0.00 19 K 8.49 4.23 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.46 7.81 20 H 8.45 5.11 0.00 3.01 3.28 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.34 4.87 0.00 2.10 1.82 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 2.19 2.18 0.00 22 V 8.51 4.36 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 0.82 0.00 0.00 0.96 0.00 0.00 23 L 8.36 4.20 0.00 1.92 1.66 1.07 1.14 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 24 N 9.53 4.45 0.00 3.08 2.76 0.00 0.00 6.71 7.18 0.00 0.00 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 I 7.63 3.13 1.84 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 1.34 0.73 0.80 0.00 0.00 26 D 8.56 4.33 0.00 2.62 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 27 E 8.36 4.11 0.00 2.17 2.21 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 2.56 2.34 0.00 28 A 8.16 3.70 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 29 Y 5.95 3.99 0.00 2.91 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 30 K 7.86 4.24 0.00 2.09 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.47 7.81 31 I 7.91 3.74 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.54 0.38 0.00 0.00 32 L 7.72 3.68 0.00 1.67 1.62 0.16 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.44 3.69 0.00 2.08 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.61 7.81 34 E 7.60 4.32 0.00 1.97 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 2.30 2.26 0.00 35 L 7.84 4.49 0.00 1.74 1.55 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.42 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.12 4.72 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.93 0.00 0.00 38 R 7.75 4.41 0.00 1.73 1.61 0.00 3.12 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 39 P 0.00 3.66 0.00 1.59 1.76 0.00 3.35 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 40 E 7.66 3.13 0.00 1.66 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 2.19 2.08 0.00 41 Q 6.84 4.09 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 42 L 7.81 4.29 0.00 1.63 1.48 0.61 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.27 0.00 2.45 2.23 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 44 W 9.08 4.16 0.00 3.88 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 45 I 8.32 4.71 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 1.07 0.00 0.00 46 R 8.55 4.46 0.00 1.83 1.83 0.00 3.47 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 1.59 1.56 0.00 47 A 8.79 4.14 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 48 S 8.07 4.26 0.00 3.88 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 49 D 8.18 4.55 0.00 3.05 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.40 0.00 2.28 2.17 0.00 3.83 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 2.00 2.03 0.00 51 V 7.72 3.96 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 0.88 0.00 0.00 0.93 0.00 0.00 52 A 7.79 4.10 1.35 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 0.00 0.00 53 R 7.92 4.02 0.00 1.84 2.18 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 54 S 8.07 4.29 0.00 4.13 3.67 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 55 I 5.42 3.74 1.87 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 1.31 0.82 0.99 0.00 0.00 56 N 6.79 3.83 0.00 2.81 2.95 0.00 0.00 7.04 7.35 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 57 A 8.08 4.67 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.33 4.40 0.00 1.92 1.73 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 59 P 0.00 4.42 0.00 1.98 1.94 0.00 3.65 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 2.00 2.04 0.00 60 G 7.13 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 61 D 7.54 4.80 0.00 2.73 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 62 I 8.04 3.85 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.05 0.00 0.00 63 I 8.54 4.48 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.98 0.00 0.00 64 R 8.92 4.89 0.00 2.03 1.95 0.00 3.57 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.01 0.00 65 I 8.18 3.87 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.22 0.85 0.00 0.00 66 I 8.06 5.37 1.85 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 0.86 1.66 0.93 0.00 0.00 67 R 7.98 4.30 0.00 1.87 2.03 0.00 2.93 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 68 K 8.37 4.73 0.00 1.63 1.75 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 69 S 8.38 4.79 0.00 3.90 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 70 Q 8.90 4.53 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 71 L 8.11 4.58 0.00 1.60 1.69 0.89 0.84 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 72 Y 9.39 4.91 0.00 2.79 3.15 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 0.00 73 G 7.19 3.54 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 0.00 0.00 0.00 74 E 7.02 5.45 0.00 1.90 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 2.06 2.03 0.00 75 V 8.02 4.59 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 0.88 0.00 0.00 1.01 0.00 0.00 76 V 8.26 4.26 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 0.69 0.00 0.00 0.95 0.00 0.00 77 S 7.34 4.22 0.00 3.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 5.91 0.00 2.83 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 79 R 8.38 4.70 0.00 1.73 1.32 0.00 3.45 0.00 0.00 3.38 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 80 Y 9.26 4.67 0.00 2.64 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 81 V 10.13 4.45 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 0.93 0.00 0.00 0.95 0.00 0.00 82 I 7.86 3.93 2.03 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 1.34 1.15 1.00 0.00 0.00