NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3559 8.2649 123.5869 52.1014 19.6910 176.3028 3 R 4.1523 7.4612 122.1912 54.1245 31.9382 176.6036 4 K 3.8116 9.3222 123.7297 59.8891 32.7764 178.8293 5 A 4.1054 8.1194 118.9907 54.4480 18.3345 178.3111 6 L 4.6841 8.5240 115.8179 54.7517 42.7025 177.4033 7 I 4.3932 7.7142 120.1299 61.3761 37.0113 176.5053 8 E 4.2010 7.9124 119.8753 57.0989 29.9455 178.1868 9 K 3.5138 8.1106 120.4112 59.2205 31.9953 176.9637 10 A 3.9320 7.8491 119.5866 53.4040 18.5415 176.9548 11 K 3.9836 8.4641 118.8241 56.3212 31.7546 176.7535 12 R 4.2608 8.4382 126.6588 57.0696 30.0374 177.0229 13 T 4.6319 7.5530 111.5587 60.4503 68.7320 171.9075 14 P 4.2651 0.0000 0.0000 66.4953 31.9161 178.0726 15 K 3.8226 8.1509 117.8131 55.7169 30.7967 175.6801 16 F 4.7203 8.2494 116.6983 56.9601 41.8925 174.8476 17 K 4.1110 8.9571 126.5931 60.1621 33.0465 178.4308 18 V 3.8151 8.0977 112.6568 64.3967 31.6767 178.3259 19 R 3.9862 7.8526 116.8450 58.5166 30.1739 176.7012 20 A 4.1777 7.8203 121.4070 51.8693 18.5107 176.3251 21 Y 4.8832 7.8392 121.0299 54.8613 40.7855 175.6272 22 T 4.0950 8.5481 112.2474 62.2956 69.4456 172.9089 23 R 4.5783 7.6957 117.1255 55.6321 33.6381 174.2539 24 C 4.4748 8.2099 121.6682 59.2635 31.8352 175.2997 25 V 3.7144 8.8738 127.7893 63.7349 31.1455 176.7862 26 R 4.5310 7.9489 118.6709 56.3953 31.5315 175.7301 27 C 4.6790 7.8861 108.0636 56.8776 31.3320 174.9752 28 G 3.8798 8.4044 108.6200 44.7135 0.0000 173.1193 29 R 3.7141 7.9480 119.8383 57.2051 30.4968 176.5900 30 A 4.7842 8.1167 132.8029 49.4516 17.9936 176.8080 31 R 4.2113 7.8309 115.2178 56.2248 35.0972 175.8039 32 S 3.6923 8.3770 117.5033 59.7673 60.9797 173.5614 33 V 4.8450 7.2028 111.8290 59.0064 31.8805 174.5577 34 Y 4.2057 9.0707 121.2553 58.4063 38.4588 177.5618 35 R 4.0202 9.2401 124.4467 59.5483 30.3143 178.6343 36 F 3.8947 8.5484 117.4733 60.4542 39.0952 175.4489 37 F 4.6744 8.4697 117.6780 56.5948 40.8442 177.5477 38 G 4.0938 8.4943 108.1382 45.2292 0.0000 173.3481 39 L 4.6977 7.5178 118.8738 53.7273 43.2716 175.7373 40 C 4.9422 8.1604 115.2645 56.7114 31.1217 174.6574 41 R 3.7953 8.8234 118.4018 60.0933 28.4649 178.6264 42 I 3.7353 7.6903 120.1352 64.0144 37.2480 177.4513 43 C 4.0891 8.0326 116.7274 63.1047 28.0689 175.6202 44 L 3.5045 7.7906 121.3358 58.5943 41.4174 179.1826 45 R 3.6688 7.4380 117.5484 59.7751 29.8818 177.7925 46 E 3.9523 7.9541 116.9034 59.6297 29.6184 178.9041 47 L 4.0835 8.4566 118.1825 58.1636 41.7782 179.4285 48 A 3.9124 7.9967 119.2811 56.0055 18.2526 179.2263 49 H 4.3783 8.2210 113.5698 58.5154 28.7500 178.1367 50 K 4.2093 7.9614 120.4544 60.4979 32.1408 176.8296 51 G 3.3845 7.7594 105.9656 45.3493 0.0000 174.1457 52 Q 4.1187 7.9371 118.6540 56.4129 28.9405 175.8055 53 L 4.6101 7.5858 119.5692 51.8729 41.8523 173.8867 54 P 4.3894 0.0000 0.0000 64.1332 31.7772 175.5339 55 G 4.3517 9.0857 114.5514 45.6734 0.0000 174.0997 56 V 3.5616 6.5597 117.5768 63.3147 31.8523 174.9126 57 R 4.5464 7.9798 124.0824 54.8254 32.7967 174.3247 58 K 3.9667 8.5368 121.2733 56.2841 32.0399 177.3719 59 A 4.4484 8.5840 127.3311 50.9780 19.4254 175.8385 60 S 5.5034 8.6497 122.7058 58.3364 64.5319 176.5952 61 W 4.4840 7.8112 123.9741 57.2475 27.2332 174.0262 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 2 A 8.26 4.36 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 3 R 7.46 4.15 0.00 1.99 1.87 0.00 3.17 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 4 K 9.32 3.81 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.54 7.81 5 A 8.12 4.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.52 4.68 0.00 1.83 1.79 0.96 1.01 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 7 I 7.71 4.39 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 1.39 0.71 0.93 0.00 0.00 8 E 7.91 4.20 0.00 2.14 2.20 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 2.41 2.24 0.00 9 K 8.11 3.51 0.00 1.20 1.63 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.88 0.21 7.81 10 A 7.85 3.93 1.25 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 0.00 0.00 11 K 8.46 3.98 0.00 1.80 1.75 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.35 7.81 12 R 8.44 4.26 0.00 1.79 1.87 0.00 3.38 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 13 T 7.55 4.63 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 1.17 0.00 0.00 14 P 0.00 4.27 0.00 2.42 2.20 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 15 K 8.15 3.82 0.00 1.67 2.07 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.96 7.81 16 F 8.25 4.72 0.00 3.21 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 17 K 8.96 4.11 0.00 1.90 2.01 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.58 7.81 18 V 8.10 3.82 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 0.87 0.00 0.00 0.97 0.00 0.00 19 R 7.85 3.99 0.00 1.97 2.16 0.00 3.36 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 20 A 7.82 4.18 1.26 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 0.00 0.00 21 Y 7.84 4.88 0.00 3.07 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 22 T 8.55 4.09 4.32 0.00 0.00 0.00 0.00 0.00 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 23 R 7.70 4.58 0.00 1.76 1.86 0.00 3.22 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 24 C 8.21 4.47 0.00 3.20 3.07 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 0.00 0.00 0.00 0.00 25 V 8.87 3.71 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 0.78 0.00 0.00 0.95 0.00 0.00 26 R 7.95 4.53 0.00 1.78 1.97 0.00 3.18 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 27 C 7.89 4.68 0.00 3.06 2.96 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 28 G 8.40 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 0.00 0.00 0.00 29 R 7.95 3.71 0.00 1.93 1.92 0.00 3.24 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 30 A 8.12 4.78 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 31 R 7.83 4.21 0.00 1.77 1.83 0.00 3.37 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 32 S 8.38 3.69 0.00 4.30 4.17 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 0.00 0.00 0.00 33 V 7.20 4.85 2.20 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 1.23 0.00 0.00 1.03 0.00 0.00 34 Y 9.07 4.21 0.00 3.18 3.21 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 35 R 9.24 4.02 0.00 1.98 2.09 0.00 3.19 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 36 F 8.55 3.89 0.00 2.96 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 37 F 8.47 4.67 0.00 3.37 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 38 G 8.49 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 39 L 7.52 4.70 0.00 1.77 1.54 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.16 4.94 0.00 3.15 3.09 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 41 R 8.82 3.80 0.00 2.13 2.58 0.00 2.79 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 42 I 7.69 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 1.64 0.73 0.90 0.00 0.00 43 C 8.03 4.09 0.00 2.92 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 44 L 7.79 3.50 0.00 1.55 1.52 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.44 3.67 0.00 1.69 1.94 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 46 E 7.95 3.95 0.00 2.07 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 2.35 2.48 0.00 47 L 8.46 4.08 0.00 1.67 1.71 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.00 3.91 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.22 4.38 0.00 3.38 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.96 4.21 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.64 7.81 51 G 7.76 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 4.12 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 L 7.59 4.61 0.00 1.73 1.78 0.58 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.39 0.00 2.22 2.11 0.00 3.92 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 2.07 2.02 0.00 55 G 9.09 4.35 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 0.00 56 V 6.56 3.56 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.22 0.00 0.00 57 R 7.98 4.55 0.00 1.93 1.75 0.00 3.32 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 58 K 8.54 3.97 0.00 1.82 1.80 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 59 A 8.58 4.45 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 0.00 0.00 0.00 0.00 0.00 60 S 8.65 5.50 0.00 3.98 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 61 W 7.81 4.48 0.00 3.38 3.08 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 0.00 0.00 0.00 0.00