NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A R 4.3482 8.2544 119.7064 56.1159 31.5358 174.3664 1B K 3.9700 8.6954 126.3553 56.4299 33.4151 176.1589 1C L 4.3476 9.8371 122.9998 55.3374 41.7290 180.2670 1 C 4.5347 6.5590 132.5068 60.4588 40.5666 175.7341 2 S 3.8428 7.9745 114.3223 59.8787 62.9996 173.7820 3 L 4.2558 8.4102 123.2980 53.9261 41.2144 175.5246 4 D 4.4401 9.1105 128.9731 55.5519 39.6644 173.5786 5 N 4.2347 8.5512 110.5649 53.1295 37.7417 174.6533 6 G 3.8601 8.4764 102.1031 45.4962 0.0000 174.5313 7 D 4.6341 8.2844 116.8883 54.2098 40.5749 173.6657 8 C 4.6208 7.5553 114.7321 57.2710 40.9911 173.5640 9 D 4.5603 8.3290 121.5102 56.7929 41.9754 177.7381 10 Q 4.5392 7.1461 112.8830 55.3419 31.2045 179.5738 11 F 4.5956 7.5786 127.9387 59.3020 39.7850 172.0374 12 C 5.3146 8.8717 122.2193 55.1155 46.2730 172.5228 13 H 4.9705 8.8953 124.5356 54.7951 33.3627 172.1192 14 E 4.8878 8.7257 125.4125 55.0602 29.2699 175.9938 15 E 4.0342 8.5569 126.3861 55.3011 29.1314 175.7073 16 Q 3.2822 8.9846 127.4697 56.5816 25.8718 172.5702 17 N 4.2368 8.2144 116.7709 53.6657 40.3290 171.9658 18 S 3.9727 8.1909 117.3339 57.6310 63.0184 169.7162 19 V 4.5741 7.9711 123.5424 61.8458 33.4622 175.6430 20 V 4.3387 8.4600 125.2317 61.7025 34.2364 173.9709 21 C 5.3667 8.8750 125.6355 56.7769 40.2547 172.6515 22 S 4.6909 8.4050 113.7894 58.1187 66.4844 172.1931 23 C 4.8536 8.4490 116.1727 54.4758 38.4660 174.0400 24 A 4.4148 8.5861 123.6556 51.5352 18.6841 177.5090 25 R 4.1985 8.4007 119.0137 57.9845 30.6259 177.6714 26 G 4.0548 9.4224 110.0344 45.1133 0.0000 172.0366 27 Y 5.2265 7.6626 115.7139 56.1593 41.9106 175.1280 28 T 4.6986 8.9452 111.0944 59.4942 72.1473 173.0734 29 L 4.4489 8.7555 127.5421 55.1857 42.8864 176.4577 30 A 4.2490 9.0813 128.5536 51.5635 19.5115 177.7434 31 D 4.2598 8.7766 118.1811 57.5321 41.2083 177.1348 32 N 4.3787 8.1121 114.2869 53.5448 37.3989 175.4607 33 G 3.9666 8.2239 107.0683 46.3043 0.0000 173.7014 34 K 4.4967 8.6595 117.5185 57.6827 35.0047 176.9384 35 A 4.6581 8.2932 120.7358 52.1055 20.0078 176.3619 36 C 5.3752 9.1815 117.1020 55.3022 39.9225 173.7764 37 I 4.5697 9.0321 125.4756 58.8465 38.8633 173.6677 38 P 4.0310 0.0000 0.0000 62.9892 31.2158 176.7748 39 T 4.0964 8.7932 120.9614 65.2186 69.2845 174.4111 40 G 4.0973 7.3497 107.7458 43.5416 0.0000 170.0904 41 P 4.1284 0.0000 0.0000 64.9274 31.7765 176.8302 42 Y 4.6386 7.3902 113.8795 55.3485 38.1684 173.4418 43 P 4.3445 0.0000 0.0000 62.1176 32.6585 176.8706 44 C 4.3655 8.5162 115.0829 59.6560 30.0404 174.2615 45 G 3.9442 8.8420 108.8157 45.7619 0.0000 173.2177 46 K 4.5643 7.4329 118.1540 54.3338 33.5475 176.5358 47 Q 4.1720 8.5640 123.4265 55.8577 29.3647 175.7969 48 T 4.3180 8.4335 112.4864 61.2737 69.4769 174.5531 49 L 4.4961 8.2506 125.6664 54.3282 42.7090 176.3400 50 E 4.5519 7.8737 121.8561 57.0492 28.8405 175.6951 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 1A R 8.25 4.35 0.00 1.82 1.99 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 1B K 8.70 3.97 0.00 1.78 1.53 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.52 7.81 1C L 9.84 4.35 0.00 1.93 1.03 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 1 C 6.56 4.53 0.00 3.13 3.17 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 2 S 7.97 3.84 0.00 3.86 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 3 L 8.41 4.26 0.00 1.75 1.88 0.92 1.16 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 4 D 9.11 4.44 0.00 2.92 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 5 N 8.55 4.23 0.00 2.99 2.81 0.00 0.00 7.63 8.10 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 6 G 8.48 3.86 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 0.00 7 D 8.28 4.63 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 7.56 4.62 0.00 3.06 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 9 D 8.33 4.56 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.15 4.54 0.00 1.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.88 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 11 F 7.58 4.60 0.00 3.19 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 12 C 8.87 5.31 0.00 3.13 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 13 H 8.90 4.97 0.00 3.29 3.11 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.73 4.89 0.00 1.82 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 2.27 2.12 0.00 15 E 8.56 4.03 0.00 1.89 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 2.27 2.38 0.00 16 Q 8.98 3.28 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.79 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 17 N 8.21 4.24 0.00 2.84 2.81 0.00 0.00 7.27 7.63 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 18 S 8.19 3.97 0.00 4.06 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 19 V 7.97 4.57 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 0.82 0.00 0.00 0.93 0.00 0.00 20 V 8.46 4.34 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 0.95 0.00 0.00 0.99 0.00 0.00 21 C 8.88 5.37 0.00 3.02 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 22 S 8.40 4.69 0.00 3.97 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 23 C 8.45 4.85 0.00 2.78 2.82 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 24 A 8.59 4.41 1.17 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 0.00 0.00 25 R 8.40 4.20 0.00 1.90 1.95 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 26 G 9.42 4.05 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 0.00 0.00 0.00 27 Y 7.66 5.23 0.00 2.91 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 28 T 8.95 4.70 4.26 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 1.22 0.00 0.00 29 L 8.76 4.45 0.00 1.67 1.64 1.02 1.13 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 30 A 9.08 4.25 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 31 D 8.78 4.26 0.00 2.65 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 32 N 8.11 4.38 0.00 2.85 2.93 0.00 0.00 6.02 7.00 0.00 0.00 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 G 8.22 3.97 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 0.00 0.00 0.00 34 K 8.66 4.50 0.00 1.66 1.92 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.52 7.81 35 A 8.29 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.18 5.38 0.00 2.70 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 37 I 9.03 4.57 1.88 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 1.40 0.89 0.89 0.00 0.00 38 P 0.00 4.03 0.00 1.72 1.57 0.00 3.60 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 1.93 1.98 0.00 39 T 8.79 4.10 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 1.17 0.00 0.00 40 G 7.35 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 41 P 0.00 4.13 0.00 2.03 1.95 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 42 Y 7.39 4.64 0.00 2.95 2.89 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 0.00 0.00 0.00 43 P 0.00 4.34 0.00 1.86 1.74 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 44 C 8.52 4.37 0.00 3.20 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 45 G 8.84 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 0.00 0.00 0.00 46 K 7.43 4.56 0.00 2.02 1.78 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.59 7.81 47 Q 8.56 4.17 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.43 4.32 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 49 L 8.25 4.50 0.00 1.63 1.75 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.87 4.55 0.00 2.03 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 2.06 2.16 0.00