NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4214 8.3044 118.1947 54.5544 33.2283 175.6507 2 K 4.1491 7.6502 117.8198 55.0905 33.2044 173.4530 3 L 4.3424 8.1770 118.1516 55.8560 45.2194 172.1450 4 S 4.4918 8.0028 117.0784 57.5172 66.5550 174.3179 5 E 3.7838 8.5047 119.9131 60.2734 30.0333 179.2633 6 V 3.6160 8.0404 110.9670 64.7595 31.8723 178.8624 7 R 4.0157 7.3971 115.5192 58.9653 29.9588 177.5968 8 K 4.6451 8.2180 115.2075 55.7342 33.5831 177.2955 9 Q 4.5486 7.9659 119.3061 58.4822 28.5978 177.1873 10 L 4.0892 8.1813 119.7830 56.0649 41.7548 177.1623 11 E 3.8014 7.4828 120.5755 57.3686 29.1873 175.9602 12 E 3.5153 8.7908 130.0945 60.5704 27.8728 174.6178 13 A 4.1040 8.4703 114.8226 53.0939 16.9819 180.0453 14 R 3.3733 7.8391 120.3805 59.3072 31.0346 177.7560 15 K 4.1709 8.5699 118.2674 57.2757 33.3548 174.9101 16 L 3.7890 8.7428 120.6715 57.4647 42.0575 177.4023 17 S 4.1862 8.0707 113.2164 61.8895 62.7199 174.4255 18 P 4.1228 0.0000 0.0000 66.2728 30.7371 178.2485 19 V 3.5786 7.7135 115.5764 66.3976 31.1855 178.1343 20 E 3.9827 7.8155 116.5337 59.4064 29.2968 179.1420 21 L 3.9462 8.0162 120.2845 58.0746 42.1588 178.3155 22 E 3.9060 8.2743 119.2976 59.3564 29.5135 178.6684 23 K 3.8767 7.7275 119.1204 59.5938 31.7865 178.4507 24 L 3.9800 7.5805 118.5350 58.1669 41.5954 180.1151 25 V 3.6733 7.5970 112.2080 64.3396 31.2983 178.6353 26 R 4.0005 8.0883 118.4603 58.9806 29.6659 178.1505 27 E 3.9463 8.5482 119.1897 58.8496 29.9079 178.6814 28 K 4.1495 7.8180 118.3075 59.2532 31.9352 179.4929 29 K 4.0497 8.1303 119.1630 59.5388 32.0745 178.4189 30 R 3.9706 7.4967 115.5047 57.2465 29.9562 177.7704 31 E 3.9427 8.5200 118.3188 59.0074 30.3072 178.0293 32 L 3.4641 7.7482 113.5398 51.6089 47.4406 177.6472 33 M 3.0608 8.9132 118.4803 55.4822 30.2967 179.5202 34 E 4.0251 9.0597 126.4311 57.4499 29.9947 177.5481 35 L 4.8016 8.6462 122.5930 56.3514 40.5679 179.2113 36 R 4.1426 8.0493 121.7811 59.9330 30.1514 178.2632 37 F 4.6060 9.0208 113.2425 62.0091 37.5094 178.8479 38 Q 3.4355 7.5618 119.5957 62.3091 30.0654 177.8599 39 A 4.0939 7.6396 120.4192 52.2606 17.4068 177.6596 40 S 3.4444 7.2253 122.0976 61.0092 63.9105 177.6689 41 I 3.7157 7.7658 120.5400 64.4130 36.9785 178.2244 42 G 3.9390 7.2305 106.8686 47.2444 0.0000 173.2217 43 Q 4.5415 8.3042 117.1903 56.2442 33.4154 175.1890 44 L 4.0647 7.4584 118.5833 57.2160 42.0490 176.3942 45 S 4.7285 8.4318 109.9012 56.1889 65.5494 169.9514 46 Q 4.5436 8.1899 122.7282 55.4773 25.5969 174.5986 47 N 5.2589 7.8811 118.6602 54.1451 37.5158 175.6541 48 H 4.0377 7.9052 118.8250 59.1985 30.0874 175.7769 49 K 4.2503 7.9138 116.7683 57.5775 33.6033 176.3968 50 I 4.1636 7.4344 120.4556 63.8340 37.0680 174.4488 51 R 3.8189 7.7921 128.1040 56.9150 28.9359 176.0776 52 D 4.5883 7.5462 115.3880 54.9319 39.9792 175.6768 53 L 4.5655 7.4320 121.2991 54.1477 43.5569 174.7102 54 K 4.5019 8.3700 130.3827 51.8118 32.5963 181.8542 55 R 3.7353 8.4591 116.7449 57.1060 30.4390 177.1264 56 Q 4.2781 8.9795 113.4530 55.2061 31.3103 175.0199 57 I 3.2351 8.3076 114.3487 63.4712 36.6284 173.8005 58 A 3.6009 7.8289 127.2978 54.8489 15.7217 177.3815 59 R 3.3791 8.6335 120.1454 56.6417 29.3968 178.4128 60 L 3.6109 7.9012 121.3408 55.9526 42.7680 174.5637 61 L 4.5740 9.3584 113.2111 54.5890 41.5018 176.4389 62 T 3.6674 7.9080 121.6783 64.3112 68.8235 171.4803 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 M 8.30 4.42 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 2 K 7.65 4.15 0.00 1.80 1.84 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 3 L 8.18 4.34 0.00 1.58 1.46 0.92 0.86 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 4 S 8.00 4.49 0.00 3.88 3.73 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 5 E 8.50 3.78 0.00 2.04 1.92 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 2.39 2.45 0.00 6 V 8.04 3.62 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 0.80 0.00 0.00 0.93 0.00 0.00 7 R 7.40 4.02 0.00 1.91 2.02 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 8 K 8.22 4.65 0.00 1.63 1.74 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.39 7.81 9 Q 7.97 4.55 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.92 0.00 0.00 0.00 0.00 0.00 2.65 2.42 0.00 10 L 8.18 4.09 0.00 1.77 1.76 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.48 3.80 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 12 E 8.79 3.52 0.00 2.21 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 2.29 2.34 0.00 13 A 8.47 4.10 1.38 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 14 R 7.84 3.37 0.00 2.10 2.13 0.00 3.23 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 15 K 8.57 4.17 0.00 1.77 1.89 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.68 7.81 16 L 8.74 3.79 0.00 1.85 1.75 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.07 4.19 0.00 3.90 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 18 P 0.00 4.12 0.00 2.15 2.08 0.00 3.58 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 2.12 2.18 0.00 19 V 7.71 3.58 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 1.07 0.00 0.00 0.93 0.00 0.00 20 E 7.82 3.98 0.00 2.06 1.98 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 2.33 2.46 0.00 21 L 8.02 3.95 0.00 1.71 1.89 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.27 3.91 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 23 K 7.73 3.88 0.00 1.85 2.01 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 24 L 7.58 3.98 0.00 1.99 1.72 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.60 3.67 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 0.87 0.00 0.00 0.98 0.00 0.00 26 R 8.09 4.00 0.00 2.02 2.13 0.00 3.14 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 27 E 8.55 3.95 0.00 2.16 1.96 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 2.32 2.49 0.00 28 K 7.82 4.15 0.00 1.92 1.87 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.52 7.81 29 K 8.13 4.05 0.00 2.06 2.11 0.00 1.21 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.73 7.81 30 R 7.50 3.97 0.00 1.94 2.16 0.00 3.05 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 31 E 8.52 3.94 0.00 2.08 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 0.00 2.49 2.08 0.00 32 L 7.75 3.46 0.00 1.80 1.14 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.91 3.06 0.00 2.11 1.36 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 34 E 9.06 4.03 0.00 2.12 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 0.00 2.26 2.24 0.00 35 L 8.65 4.80 0.00 1.96 2.11 0.95 0.74 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 36 R 8.05 4.14 0.00 1.94 2.10 0.00 3.18 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 37 F 9.02 4.61 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.56 3.44 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.61 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 39 A 7.64 4.09 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 40 S 7.23 3.44 0.00 3.70 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.72 1.82 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 1.28 0.88 0.88 0.00 0.00 42 G 7.23 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 43 Q 8.30 4.54 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 44 L 7.46 4.06 0.00 1.73 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.43 4.73 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.54 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 47 N 7.88 5.26 0.00 2.84 2.96 0.00 0.00 6.31 7.90 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 48 H 7.91 4.04 0.00 3.09 3.38 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.91 4.25 0.00 1.86 1.83 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 50 I 7.43 4.16 1.98 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 1.31 0.94 0.92 0.00 0.00 51 R 7.79 3.82 0.00 1.87 2.33 0.00 3.25 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 52 D 7.55 4.59 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.57 0.00 1.93 1.49 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.37 4.50 0.00 1.93 2.04 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.38 7.81 55 R 8.46 3.74 0.00 2.07 1.58 0.00 3.11 0.00 0.00 3.28 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 56 Q 8.98 4.28 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.50 6.30 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 57 I 8.31 3.24 1.87 0.00 0.00 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 1.23 0.61 0.97 0.00 0.00 58 A 7.83 3.60 1.33 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 0.00 0.00 59 R 8.63 3.38 0.00 1.92 1.95 0.00 3.33 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 60 L 7.90 3.61 0.00 1.80 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.36 4.57 0.00 1.73 1.70 0.92 0.94 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 62 T 7.91 3.67 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 1.21 0.00 0.00