NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3609 8.1233 123.5828 51.7449 19.4208 177.4531 5 L 3.8103 8.5269 123.8743 57.8580 41.6055 177.8023 6 L 4.0941 8.1360 118.6836 57.8367 42.0322 179.1274 7 R 3.8947 7.9311 117.8274 59.5528 30.1518 178.2792 8 Q 3.9509 8.4029 117.8411 58.9189 28.7702 178.4025 9 A 3.6275 9.4830 121.5460 55.4180 18.2954 178.6870 10 Y 3.9733 8.1154 117.7200 61.1937 38.5982 178.5432 11 S 4.1349 8.1445 113.9502 61.8958 63.1417 176.4527 12 A 4.1222 8.2266 122.2293 53.7586 18.4203 178.4254 13 L 4.2884 8.0492 116.3894 56.3330 43.0277 178.6133 14 F 4.9713 7.2040 114.2340 58.9274 39.7058 177.3516 15 R 3.5810 7.6352 120.9072 59.0424 30.1218 177.2947 16 R 4.2064 7.7397 119.0803 55.7041 30.9721 177.0700 17 T 3.9427 8.7675 122.0118 67.0525 68.5947 176.3423 18 S 4.1923 8.0864 115.6160 61.6996 63.0178 176.4492 19 T 4.0519 7.8103 112.7522 63.8460 68.7699 176.4950 20 F 4.3191 8.8541 125.3790 60.6430 39.4695 176.7927 21 A 4.1424 8.2621 120.3968 55.3207 18.2082 179.2992 22 L 3.9488 7.8775 118.2968 58.5918 42.0810 179.4320 23 T 3.8148 8.0424 115.8336 66.5781 68.4040 176.7534 24 V 3.5657 7.8761 120.2625 66.3920 31.4067 177.8156 25 V 3.6526 7.9579 118.2121 65.5362 31.4539 177.4929 26 L 4.0819 8.3421 120.1064 58.2488 41.8816 179.6864 27 G 3.6204 8.6767 105.6896 47.5949 0.0000 175.5014 28 A 4.0296 8.0497 123.3117 54.9744 18.2516 179.5248 29 V 3.5611 8.1315 117.1197 66.5965 31.4920 178.3116 30 L 4.0646 8.1214 118.2974 57.6285 41.4849 179.1492 31 F 4.1449 8.5715 121.0470 61.4745 39.2026 176.3148 32 E 3.9623 9.2306 119.4327 58.9364 29.5695 178.4812 33 R 3.7947 7.9278 117.9526 59.6896 30.2373 178.1947 34 A 4.1842 7.9317 119.8162 54.4044 18.8351 179.3449 35 F 3.8582 8.1606 119.6963 61.5792 39.3715 176.7767 36 D 4.1240 8.3911 118.9082 57.1286 40.6046 178.3894 37 Q 4.0260 7.8228 116.9745 59.2565 28.8278 180.1475 38 G 3.4550 7.9310 105.8927 47.7384 0.0000 175.5549 39 A 3.8131 7.6032 124.0388 54.6679 18.3012 179.2580 40 D 4.3303 8.3911 117.5534 57.4759 40.9199 178.8902 41 A 3.9948 7.9749 121.0184 55.3816 18.4311 179.6862 42 I 3.6661 8.0233 118.4505 64.5151 36.9805 178.3843 43 F 4.2394 8.5338 120.4088 61.4270 39.4533 176.7451 44 E 3.9799 8.4832 118.1885 59.6210 29.2259 178.6678 45 H 4.0860 8.2602 118.2185 59.3811 29.7214 177.1319 46 L 4.1028 7.8000 118.9165 56.4948 41.8827 177.0796 47 N 4.9407 8.1281 117.5954 51.9446 39.6384 174.0627 48 E 3.9928 7.7146 116.7472 58.3008 30.0341 178.1130 49 G 3.9991 8.8722 109.2133 46.1976 0.0000 174.0423 50 K 4.3480 7.8257 118.5574 57.1109 33.6303 177.3296 51 L 4.2955 7.2812 118.1567 53.6147 42.6323 177.4024 52 W 4.2980 9.0624 131.8553 60.5695 30.8410 177.8488 53 K 3.7886 8.4182 117.7178 60.0116 31.7050 177.0888 54 H 4.4219 8.4468 115.5429 58.3756 29.0353 176.9312 55 I 3.8683 7.3572 111.0550 60.9219 37.9666 177.0743 56 K 2.4800 7.3778 123.3312 59.8379 31.6529 177.5248 57 H 4.0647 7.9167 114.4318 59.0534 27.7687 177.2142 58 K 3.7534 7.6312 119.7571 58.4161 31.8302 177.0905 59 Y 4.6032 7.7762 113.1897 57.5984 39.5108 176.2362 60 E 4.2640 7.6787 123.0071 54.3060 27.9112 175.2883 61 A 3.8432 8.6241 122.9268 52.8869 15.8528 179.0727 62 S 4.7129 7.9433 111.4603 59.3881 64.8979 173.6813 63 E 4.5444 8.0069 119.0160 55.5953 32.4560 174.3904 64 E 4.1056 8.8394 123.8194 56.8293 30.6926 174.0971 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 4 A 8.12 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 5 L 8.53 3.81 0.00 1.80 1.73 0.93 0.34 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 6 L 8.14 4.09 0.00 1.72 1.80 0.96 0.92 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 7 R 7.93 3.89 0.00 1.88 2.11 0.00 3.17 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 8 Q 8.40 3.95 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 9 A 9.48 3.63 1.15 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 0.00 0.00 10 Y 8.12 3.97 0.00 3.30 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.13 0.00 4.08 3.94 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 0.00 0.00 0.00 12 A 8.23 4.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.29 0.00 0.59 1.29 0.60 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.20 4.97 0.00 2.88 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 15 R 7.64 3.58 0.00 1.42 1.79 0.00 3.45 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 16 R 7.74 4.21 0.00 1.90 1.86 0.00 3.20 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 17 T 8.77 3.94 4.24 0.00 0.00 0.00 0.00 0.00 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 18 S 8.09 4.19 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.81 4.05 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 1.21 0.00 0.00 20 F 8.85 4.32 0.00 3.16 3.23 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 21 A 8.26 4.14 1.46 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 0.00 0.00 22 L 7.88 3.95 0.00 1.97 1.68 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.04 3.81 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 1.16 0.00 0.00 24 V 7.88 3.57 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 1.02 0.00 0.00 1.06 0.00 0.00 25 V 7.96 3.65 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 1.02 0.00 0.00 1.01 0.00 0.00 26 L 8.34 4.08 0.00 1.82 1.76 0.93 1.13 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 27 G 8.68 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.05 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 3.56 2.25 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 1.05 0.00 0.00 0.98 0.00 0.00 30 L 8.12 4.06 0.00 1.82 1.74 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.57 4.14 0.00 3.21 3.26 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 32 E 9.23 3.96 0.00 2.24 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 0.00 2.58 2.42 0.00 33 R 7.93 3.79 0.00 1.91 2.15 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 34 A 7.93 4.18 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 35 F 8.16 3.86 0.00 1.81 2.59 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 36 D 8.39 4.12 0.00 2.67 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 37 Q 7.82 4.03 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 38 G 7.93 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 0.00 0.00 0.00 39 A 7.60 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.39 4.33 0.00 2.76 2.76 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 41 A 7.97 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.02 3.67 2.01 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 1.40 1.06 0.95 0.00 0.00 43 F 8.53 4.24 0.00 2.93 3.25 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 44 E 8.48 3.98 0.00 2.21 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 2.42 2.67 0.00 45 H 8.26 4.09 0.00 3.18 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.80 4.10 0.00 1.81 1.62 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.13 4.94 0.00 2.26 2.52 0.00 0.00 6.80 7.25 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 48 E 7.71 3.99 0.00 1.85 1.86 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 2.45 2.36 0.00 49 G 8.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.35 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.50 7.81 51 L 7.28 4.30 0.00 1.36 1.54 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.06 4.30 0.00 3.32 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 53 K 8.42 3.79 0.00 1.82 1.90 0.00 1.88 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 54 H 8.45 4.42 0.00 3.22 3.27 0.00 5.71 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 55 I 7.36 3.87 1.87 0.00 0.00 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 1.46 0.30 0.91 0.00 0.00 56 K 7.38 2.48 0.00 0.82 1.42 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.22 7.81 57 H 7.92 4.06 0.00 3.34 3.52 0.00 5.72 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 58 K 7.63 3.75 0.00 0.82 1.14 0.00 1.57 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.44 7.81 59 Y 7.78 4.60 0.00 2.98 3.05 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 0.00 0.00 0.00 0.00 60 E 7.68 4.26 0.00 2.01 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 2.30 2.33 0.00 61 A 8.62 3.84 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 62 S 7.94 4.71 0.00 3.93 3.72 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 63 E 8.01 4.54 0.00 1.87 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 2.23 2.31 0.00 64 E 8.84 4.11 0.00 2.13 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 2.21 2.30 0.00