NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3044 8.3293 118.8220 56.0049 29.8100 175.1636 2 S 3.9331 7.7439 112.3229 59.4996 64.6309 173.1259 3 G 3.9633 8.4258 109.7572 46.1028 0.0000 172.6605 4 P 4.4567 0.0000 0.0000 63.1207 32.7267 177.7694 5 Q 4.6059 8.1094 119.0220 54.1248 30.5795 173.6170 6 Q 4.5023 7.7615 112.6603 55.6024 30.8756 174.2641 7 G 3.7906 7.9323 108.4396 42.8057 0.0000 170.5587 8 P 3.5218 0.0000 0.0000 62.2679 32.3894 176.8891 9 W 4.8296 7.9800 117.5357 56.6905 30.0480 177.6788 10 L 4.2575 8.1928 120.9490 57.7841 41.7596 179.5124 11 R 3.7787 8.1802 114.8576 59.5583 29.3544 177.8481 12 E 4.5029 8.4865 119.1557 58.9222 29.2653 179.1172 13 Q 4.0321 8.8883 118.6192 59.4095 28.7486 179.2453 14 C 4.0502 8.7256 119.7155 62.6860 31.4600 174.8655 15 C 4.3029 8.1368 119.3787 59.9612 41.0217 174.9016 16 N 4.2511 9.9529 117.8580 56.7234 37.8822 177.0502 17 E 4.0073 7.7919 118.8323 59.1823 29.9239 179.0428 18 L 4.2804 7.5457 119.1449 58.7874 40.7243 178.1858 19 Y 4.2610 9.8558 119.6779 60.5891 38.8603 177.3022 20 Q 4.0942 8.2759 117.6311 58.8464 29.5836 177.6568 21 E 4.4487 7.7184 121.9138 55.9618 30.3262 174.5762 22 D 4.7860 7.9633 117.5168 52.5871 41.8719 177.3372 23 Q 4.2285 8.9068 123.5616 58.7557 28.4905 178.8005 24 V 3.6330 7.7102 117.4195 64.3621 31.5969 176.2898 25 C 4.7369 8.2604 117.9535 58.0490 27.4989 172.2448 26 V 3.9625 6.8026 119.7152 63.2532 33.0344 177.6968 27 C 4.1727 8.2998 121.1519 58.7340 42.9392 173.4524 28 P 4.2025 0.0000 0.0000 64.4551 31.6771 178.1284 29 T 4.0774 7.8036 116.9271 66.1062 68.4024 176.8493 30 L 4.1178 7.2495 121.6209 57.0954 41.5688 178.9630 31 K 2.8801 7.5267 118.3397 59.6258 31.8226 178.7917 32 Q 4.1397 7.5759 117.4419 59.0398 28.5259 178.9550 33 A 4.0358 8.7115 121.8777 55.1968 18.5182 179.2456 34 A 3.9547 7.5992 117.4648 55.4253 18.1811 179.4650 35 K 3.9829 7.7235 117.1130 60.1585 32.2577 178.6162 36 S 4.3235 8.5977 114.0199 62.2670 63.0772 175.9225 37 V 3.2173 8.6179 116.1567 66.6629 30.9809 178.2081 38 R 2.8417 9.3959 115.6515 56.5190 31.9918 178.5560 39 V 3.3072 7.9945 120.6766 62.2453 29.3645 176.5367 40 Q 3.4468 7.8083 116.7431 57.1020 29.7352 178.6861 41 G 4.1188 8.6666 103.5645 44.5866 0.0000 173.6426 42 Q 4.4829 8.0200 119.6005 55.3358 31.3888 175.6700 43 H 4.7256 9.2617 118.4357 56.7010 30.3782 173.8726 44 G 3.2965 7.4586 102.3369 47.0059 0.0000 171.8546 45 P 4.4936 0.0000 0.0000 62.3704 33.0972 175.8714 46 F 4.9026 7.7407 119.8024 58.8563 42.6455 173.0940 47 Q 4.5588 6.4979 116.5930 54.1865 28.9876 176.7557 48 S 3.8757 7.9819 114.7560 62.0797 62.1477 175.4723 49 T 3.5971 7.5696 117.5883 66.6705 68.4632 176.3255 50 R 3.7240 7.7350 120.1549 59.1227 30.3955 177.8940 51 I 3.4777 8.2300 119.0697 65.0986 37.6524 176.2835 52 Y 4.0718 7.7183 116.4571 61.9882 37.6430 178.2450 53 Q 4.0164 8.2599 123.1174 59.5400 29.4972 178.4526 54 I 3.0956 8.5867 111.7319 63.2168 38.9129 178.2860 55 A 3.7907 7.5847 124.4906 50.7776 22.0229 175.5931 56 K 4.9612 8.8768 124.8495 58.7112 34.0612 175.6106 57 N 4.0979 8.7212 123.1846 55.8871 38.6277 174.5596 58 L 4.6906 7.5312 115.5446 55.3798 49.8100 174.1550 59 P 4.5291 0.0000 0.0000 62.0613 32.1916 175.5299 60 N 4.7261 9.4649 123.8092 55.4978 36.1953 179.0971 61 V 3.2641 5.9634 116.5912 64.8359 33.4431 176.4181 62 C 4.7454 7.6187 112.4817 53.9554 43.3493 171.7459 63 N 3.6817 7.3459 122.0472 53.6076 39.8257 176.0784 64 M 4.5819 7.7182 116.8179 53.7164 32.3379 175.3361 65 K 4.2923 8.5060 123.1865 57.7107 32.5617 178.3231 66 Q 4.2163 7.8994 117.3772 57.3830 29.2692 176.8246 67 I 4.0882 8.6969 117.9664 62.9536 37.9548 175.7715 68 G 4.3813 6.9214 106.5941 44.7265 0.0000 171.2606 69 T 4.4707 7.1964 113.5016 61.6170 70.3124 172.6418 70 C 4.8524 7.9183 122.0615 55.4730 38.9118 171.4006 71 P 4.4397 0.0000 0.0000 63.2532 31.9495 176.3201 72 F 5.3932 8.3429 124.3823 57.6668 41.2036 173.9358 73 I 4.1509 7.7328 119.8226 61.4987 40.3700 173.1035 74 A 4.6845 8.0466 125.0430 49.4753 22.2241 175.9810 75 I 3.8056 8.2947 117.8399 61.7166 37.9288 175.4434 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 1 Q 8.33 4.30 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 2 S 7.74 3.93 0.00 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.96 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 0.00 0.00 0.00 4 P 0.00 4.46 0.00 2.16 2.04 0.00 3.79 0.00 0.00 3.65 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 5 Q 8.11 4.61 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 6 Q 7.76 4.50 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 7 G 7.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.52 0.00 2.00 1.79 0.00 3.50 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 9 W 7.98 4.83 0.00 3.37 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 10 L 8.19 4.26 0.00 1.75 1.72 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.18 3.78 0.00 2.02 2.22 0.00 3.01 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 12 E 8.49 4.50 0.00 2.20 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 0.00 2.44 2.54 0.00 13 Q 8.89 4.03 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 14 C 8.73 4.05 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.14 4.30 0.00 3.05 2.94 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 16 N 9.95 4.25 0.00 3.02 2.95 0.00 0.00 7.09 7.54 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 17 E 7.79 4.01 0.00 2.22 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 2.52 2.43 0.00 18 L 7.55 4.28 0.00 2.33 2.12 1.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.86 4.26 0.00 2.96 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 20 Q 8.28 4.09 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.51 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 21 E 7.72 4.45 0.00 1.99 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 2.30 2.44 0.00 22 D 7.96 4.79 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.91 4.23 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 24 V 7.71 3.63 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 0.75 0.00 0.00 0.93 0.00 0.00 25 C 8.26 4.74 0.00 2.94 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 26 V 6.80 3.96 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 1.11 0.00 0.00 0.99 0.00 0.00 27 C 8.30 4.17 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.25 2.26 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 29 T 7.80 4.08 4.07 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 1.40 0.00 0.00 30 L 7.25 4.12 0.00 1.20 1.55 -0.71 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.53 2.88 0.00 1.65 1.58 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.85 1.48 7.81 32 Q 7.58 4.14 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 33 A 8.71 4.04 1.70 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 34 A 7.60 3.95 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 35 K 7.72 3.98 0.00 1.90 2.12 0.00 2.01 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.63 7.81 36 S 8.60 4.32 0.00 3.99 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 37 V 8.62 3.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.07 0.00 0.00 38 R 9.40 2.84 0.00 2.18 1.88 0.00 3.40 0.00 0.00 3.31 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 39 V 7.99 3.31 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 0.86 0.00 0.00 1.06 0.00 0.00 40 Q 7.81 3.45 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.01 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 41 G 8.67 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 4.48 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.34 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 43 H 9.26 4.73 0.00 2.90 2.75 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.46 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.49 0.00 2.25 2.09 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 46 F 7.74 4.90 0.00 2.88 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 47 Q 6.50 4.56 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.44 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 48 S 7.98 3.88 0.00 3.92 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 49 T 7.57 3.60 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 50 R 7.73 3.72 0.00 1.83 1.88 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 51 I 8.23 3.48 1.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 0.72 0.00 0.00 52 Y 7.72 4.07 0.00 2.98 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 53 Q 8.26 4.02 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 54 I 8.59 3.10 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.89 0.00 0.00 55 A 7.58 3.79 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 56 K 8.88 4.96 0.00 1.95 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 1.34 7.81 57 N 8.72 4.10 0.00 2.66 2.83 0.00 0.00 6.89 7.78 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 58 L 7.53 4.69 0.00 1.76 1.64 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.53 0.00 2.16 2.03 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 60 N 9.46 4.73 0.00 2.83 3.01 0.00 0.00 6.96 7.68 0.00 0.00 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 V 5.96 3.26 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 1.01 0.00 0.00 1.02 0.00 0.00 62 C 7.62 4.75 0.00 2.69 2.37 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 63 N 7.35 3.68 0.00 2.72 3.02 0.00 0.00 6.69 7.65 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 64 M 7.72 4.58 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 65 K 8.51 4.29 0.00 1.77 1.88 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 66 Q 7.90 4.22 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 67 I 8.70 4.09 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.96 0.00 0.00 68 G 6.92 4.38 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 69 T 7.20 4.47 4.18 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 1.15 0.00 0.00 70 C 7.92 4.85 0.00 2.67 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 71 P 0.00 4.44 0.00 2.14 2.21 0.00 3.31 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.27 0.00 72 F 8.34 5.39 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 4.15 1.95 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 1.38 0.38 0.95 0.00 0.00 74 A 8.05 4.68 1.16 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 75 I 8.29 3.81 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 1.26 0.71 0.88 0.00 0.00