NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6236 8.3649 120.1916 54.0093 42.7316 175.8968 6 D 4.3537 8.7351 126.9086 57.1221 40.8909 176.8882 7 D 4.4649 9.1170 120.2345 57.8086 41.1299 178.3818 8 D 4.3694 8.5010 119.1408 56.8354 40.7593 178.9538 9 K 3.9236 7.8700 118.9188 59.2280 32.0139 179.1030 10 K 4.0355 8.0842 119.2901 59.9201 32.1458 178.5834 11 T 3.7667 7.9448 115.8322 66.9279 68.4186 176.4147 12 N 4.2495 8.2934 118.2533 55.7998 38.3593 177.6245 13 W 4.0920 8.2214 120.4569 59.8739 29.2220 178.4111 14 L 3.4948 8.1671 119.1472 57.4920 41.0195 179.5914 15 K 3.7831 8.0968 119.5438 59.3993 32.1737 178.8281 16 R 3.8021 7.9749 118.7848 59.5715 28.5872 178.1825 17 I 3.6736 8.4674 120.2656 64.9165 36.8602 177.7801 18 Y 4.1959 8.1409 119.2081 60.3803 38.6203 177.4687 19 R 3.9725 7.5210 118.4689 58.7896 30.4651 177.9679 20 V 4.2326 7.6409 109.0688 60.9969 32.5367 176.6862 21 R 4.3986 7.0388 116.1446 53.0793 30.7638 173.2194 22 P 4.3601 0.0000 0.0000 61.6828 32.6822 175.7532 23 C 3.7471 9.1003 117.3881 59.1956 31.5557 175.3483 24 V 3.6938 8.5984 121.0710 63.5833 31.5448 177.3472 25 K 3.7521 7.8878 120.0343 58.1697 32.7820 177.0805 26 C 4.2232 7.8115 112.0362 58.0015 30.3466 175.5974 27 K 4.1132 7.9291 117.8044 56.7513 30.9997 176.3297 28 V 4.0421 7.3878 115.5946 64.1881 32.9584 175.9444 29 A 4.1226 7.7485 122.6958 51.5789 18.7620 175.2054 30 P 4.6127 0.0000 0.0000 62.0384 32.4102 176.5072 31 R 4.2776 7.8442 117.9749 55.8185 30.9479 176.2684 32 N 4.9835 8.9371 119.9813 54.1709 40.2796 173.4506 33 W 5.5810 8.2584 117.8296 56.1565 30.8212 173.1519 34 K 4.3646 8.9174 119.2533 55.6316 36.1912 174.9427 35 V 4.5402 8.4336 121.5225 61.8624 32.2043 176.1985 36 K 4.4293 8.9962 129.4010 54.9584 32.0746 175.8558 37 N 4.4563 8.4021 125.1202 53.2110 36.8592 175.2715 38 K 4.7356 8.5521 117.2023 55.8803 34.7976 175.9245 39 H 5.4150 8.2967 117.9095 53.8308 32.5517 172.7256 40 L 4.7883 9.1094 123.6486 53.8063 43.8232 175.2310 41 R 4.7964 9.0224 128.1562 55.4487 31.3696 175.2529 42 I 4.6107 8.9424 129.6335 60.0005 37.5268 175.4282 43 Y 4.7155 8.6069 125.7117 57.8998 38.6300 177.6567 44 N 4.6529 9.4782 119.4796 55.7215 39.1445 175.2118 45 M 5.1264 7.5347 113.8118 52.6543 35.7175 174.8292 46 C 4.9754 8.2960 116.1757 57.8290 32.1725 174.5353 47 K 4.0522 8.5071 120.5162 59.7354 31.7193 178.6133 48 T 3.8935 7.9199 115.6739 67.0458 68.4085 176.2031 49 C 4.2595 8.0854 117.9368 62.2707 28.1261 175.7999 50 F 4.2749 8.2695 122.4996 61.4498 39.1741 176.8725 51 N 4.0585 8.3059 116.0911 56.2874 38.2994 176.8116 52 N 4.2788 8.1623 118.6293 56.7529 38.9792 176.9660 53 S 4.1359 8.2902 115.6945 61.3766 62.8783 176.7070 54 I 3.5474 7.2539 123.4523 64.3351 36.6810 177.6817 55 D 4.3837 7.5122 118.1755 57.4714 40.8824 178.7470 56 I 4.1468 7.8181 110.0809 60.6394 38.1719 175.9548 57 G 3.7166 7.9533 108.7544 46.7140 0.0000 172.7727 58 D 4.8033 8.4546 119.8973 52.2138 42.7698 175.0470 59 D 4.3868 8.3855 124.6071 53.1662 39.9429 177.9401 60 T 3.6041 8.1248 118.7336 66.9598 68.2956 174.6112 61 Y 4.5842 7.5966 115.0517 57.8400 38.5757 175.4998 62 H 4.4414 8.0688 118.5063 55.1673 29.3886 175.6195 63 G 4.3057 7.9761 110.6578 45.1297 0.0000 170.2077 64 H 5.2178 7.4520 114.4704 54.9199 31.4254 173.2655 65 V 4.2927 8.7514 118.2536 61.2742 34.4215 173.7560 66 D 5.3809 8.5419 127.3391 52.9653 42.7778 175.8862 67 W 4.9018 9.0866 121.8280 54.4257 32.8485 174.6026 68 L 4.2296 8.8608 127.4459 55.6987 41.7387 176.7866 69 M 4.1904 8.8506 125.2148 56.3399 32.3904 175.4277 70 Y 4.6550 7.7147 115.2532 55.8152 41.0222 175.3655 71 A 4.2569 9.1632 124.0132 53.8614 19.0133 177.5531 72 D 4.9284 7.9758 114.9896 52.3413 43.0344 176.0292 73 S 4.3470 8.6394 119.7160 58.6298 63.3086 173.8562 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 5 D 8.36 4.62 0.00 2.66 2.65 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 6 D 8.74 4.35 0.00 2.85 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 7 D 9.12 4.46 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.37 0.00 2.91 2.68 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 0.00 0.00 0.00 0.00 9 K 7.87 3.92 0.00 2.04 1.97 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 10 K 8.08 4.04 0.00 1.94 2.00 0.00 1.91 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.59 7.81 11 T 7.94 3.77 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 1.11 0.00 0.00 12 N 8.29 4.25 0.00 2.62 2.67 0.00 0.00 7.10 7.27 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 13 W 8.22 4.09 0.00 3.57 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 14 L 8.17 3.49 0.00 1.66 1.47 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.10 3.78 0.00 2.00 1.72 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.33 7.81 16 R 7.97 3.80 0.00 1.78 2.10 0.00 2.91 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 17 I 8.47 3.67 1.59 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.59 0.00 0.00 18 Y 8.14 4.20 0.00 2.75 3.04 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 0.00 0.00 0.00 19 R 7.52 3.97 0.00 1.96 2.01 0.00 3.28 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 20 V 7.64 4.23 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 0.85 0.00 0.00 0.98 0.00 0.00 21 R 7.04 4.40 0.00 1.70 1.84 0.00 3.21 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 22 P 0.00 4.36 0.00 2.16 2.10 0.00 3.77 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 23 C 9.10 3.75 0.00 3.04 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 24 V 8.60 3.69 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 0.77 0.00 0.00 1.03 0.00 0.00 25 K 7.89 3.75 0.00 1.35 1.70 0.00 1.34 0.00 0.00 1.42 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.37 7.81 26 C 7.81 4.22 0.00 3.12 3.14 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 27 K 7.93 4.11 0.00 1.95 2.01 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 28 V 7.39 4.04 2.07 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 0.76 0.00 0.00 0.92 0.00 0.00 29 A 7.75 4.12 1.29 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 0.00 0.00 30 P 0.00 4.61 0.00 2.20 1.91 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 31 R 7.84 4.28 0.00 2.00 2.29 0.00 3.27 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 32 N 8.94 4.98 0.00 2.95 2.76 0.00 0.00 6.95 8.74 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 33 W 8.26 5.58 0.00 3.52 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 34 K 8.92 4.36 0.00 1.75 1.82 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.43 7.81 35 V 8.43 4.54 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 0.92 0.00 0.00 1.19 0.00 0.00 36 K 9.00 4.43 0.00 1.95 1.93 0.00 1.42 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 37 N 8.40 4.46 0.00 3.08 2.94 0.00 0.00 6.23 7.13 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 38 K 8.55 4.74 0.00 1.81 1.93 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.48 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.67 7.81 39 H 8.30 5.41 0.00 3.13 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.11 4.79 0.00 1.74 1.65 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.02 4.80 0.00 1.89 1.82 0.00 2.84 0.00 0.00 2.53 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 42 I 8.94 4.61 2.19 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 1.44 0.78 1.19 0.00 0.00 43 Y 8.61 4.72 0.00 3.11 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 44 N 9.48 4.65 0.00 3.11 3.03 0.00 0.00 6.99 7.17 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 45 M 7.53 5.13 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 46 C 8.30 4.98 0.00 3.22 3.32 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 47 K 8.51 4.05 0.00 1.89 1.87 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.64 7.81 48 T 7.92 3.89 4.27 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 1.22 0.00 0.00 49 C 8.09 4.26 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.27 0.00 3.11 3.19 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 51 N 8.31 4.06 0.00 2.77 2.80 0.00 0.00 6.72 6.54 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 52 N 8.16 4.28 0.00 2.89 3.01 0.00 0.00 7.00 7.77 0.00 0.00 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 S 8.29 4.14 0.00 4.33 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.25 3.55 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.82 0.00 0.00 55 D 7.51 4.38 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 4.15 1.87 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 1.71 0.56 0.97 0.00 0.00 57 G 7.95 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 0.00 0.00 0.00 58 D 8.45 4.80 0.00 2.57 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 59 D 8.39 4.39 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 60 T 8.12 3.60 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 61 Y 7.60 4.58 0.00 3.13 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 62 H 8.07 4.44 0.00 3.32 3.39 0.00 5.74 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 63 G 7.98 4.31 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 0.00 64 H 7.45 5.22 0.00 2.96 3.17 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.75 4.29 2.23 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 0.36 0.00 0.00 0.93 0.00 0.00 66 D 8.54 5.38 0.00 2.50 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 67 W 9.09 4.90 0.00 3.28 3.12 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 68 L 8.86 4.23 0.00 1.65 1.66 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.85 4.19 0.00 1.72 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.44 0.00 70 Y 7.71 4.66 0.00 2.91 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 71 A 9.16 4.26 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 72 D 7.98 4.93 0.00 2.66 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 73 S 8.64 4.35 0.00 4.03 3.85 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