NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3318 8.3044 120.3500 54.6876 33.4013 174.3701 2 K 3.8327 8.4321 122.6418 55.8998 32.1402 175.1803 3 R 4.4981 8.1503 126.0601 54.9691 32.7479 176.1782 4 T 3.9705 8.3969 108.7085 64.2098 69.0252 174.5070 5 F 4.5105 8.0683 124.5999 56.7484 38.2840 173.9869 6 Q 4.1641 8.0073 127.0253 53.1826 29.2166 174.2227 7 P 3.8169 0.0000 0.0000 62.0429 32.7756 176.3290 8 S 4.3439 7.8103 108.6604 56.7458 65.4329 177.2334 9 V 3.7880 8.1765 130.3191 64.5076 31.5858 177.9146 10 L 3.9146 7.9500 120.6894 58.1353 41.8822 178.9281 11 K 4.0914 8.0118 117.9160 58.7098 32.1032 179.2990 12 R 3.9826 8.3681 117.0881 59.7812 28.7483 178.6177 13 N 4.5149 8.5338 116.8982 54.7830 38.3478 177.4458 14 R 4.0983 7.5360 118.7311 58.6388 30.4714 178.3992 15 S 4.3503 8.3184 114.4697 60.4523 63.2028 174.6827 16 H 4.8897 8.0896 114.4321 54.3064 30.4573 174.5000 17 G 4.0362 7.9243 108.3409 43.9321 0.0000 173.8667 18 F 4.0414 8.9060 122.1915 61.4764 39.0129 177.6729 19 R 3.9559 8.0696 115.9186 58.8713 30.3137 178.2483 20 A 4.0941 7.9270 120.2026 54.9207 18.3964 179.5643 21 R 3.7710 8.1455 117.6943 59.6452 30.0394 177.9366 22 M 4.0205 7.5344 114.6810 56.6423 32.1813 176.5487 23 A 4.5254 6.9841 119.0544 51.7786 20.1039 176.5125 24 T 4.2841 7.3351 110.6935 60.2106 70.8602 174.1271 25 K 4.1354 8.5728 130.2828 59.8028 32.6420 177.9228 26 N 4.6561 8.2000 116.0812 55.5353 38.7381 177.6078 27 G 4.1418 7.7996 108.3185 47.5106 0.0000 175.8174 28 R 3.9831 8.1456 120.0855 58.6435 30.0005 179.0721 29 Q 4.0399 7.5988 117.0336 58.4518 28.7414 178.4515 30 V 3.5602 7.6149 119.4062 66.1069 31.4983 178.1580 31 L 4.0131 7.9670 118.4435 57.5169 41.3594 179.4411 32 A 3.9631 7.8854 120.7920 55.1761 18.3514 179.5931 33 R 3.8579 8.4711 116.8618 59.6823 30.2332 179.2749 34 R 3.9308 8.0079 117.3752 59.6518 29.9185 179.4155 35 R 3.9575 8.1618 116.3765 59.0498 30.3023 178.7099 36 A 4.0950 8.1931 120.6960 55.0741 18.3282 179.4304 37 K 3.8847 8.2178 117.1049 57.4414 32.2987 176.9482 38 G 3.8415 7.9156 105.8656 46.7038 0.0000 174.0260 39 R 3.9675 7.8329 118.7865 56.1043 30.6064 176.4607 40 A 4.2577 8.5170 125.9551 54.2036 19.4073 178.1313 41 R 4.6214 7.3160 114.4899 53.5974 30.4121 175.9295 42 L 3.9969 7.9224 121.0388 57.7600 42.5213 178.1959 43 T 4.5199 8.0703 104.1354 62.2990 73.3234 174.8988 44 V 3.7287 9.4658 119.8981 63.2512 32.5540 169.3614 45 S 4.2591 7.8890 124.1579 58.1044 66.1508 174.1182 46 K 4.1278 8.6874 125.8258 57.7617 31.9796 177.2003 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 4.33 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 K 8.43 3.83 0.00 1.84 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.15 4.50 0.00 1.87 1.91 0.00 3.44 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 4 T 8.40 3.97 4.29 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 1.24 0.00 0.00 5 F 8.07 4.51 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 6 Q 8.01 4.16 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 7 P 0.00 3.82 0.00 2.07 1.52 0.00 3.57 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 8 S 7.81 4.34 0.00 3.79 3.63 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 0.00 0.00 0.00 0.00 9 V 8.18 3.79 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 0.83 0.00 0.00 0.98 0.00 0.00 10 L 7.95 3.91 0.00 1.77 1.71 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.01 4.09 0.00 1.87 1.82 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 R 8.37 3.98 0.00 2.12 2.48 0.00 2.86 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 13 N 8.53 4.51 0.00 2.88 2.94 0.00 0.00 7.10 8.41 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 14 R 7.54 4.10 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 15 S 8.32 4.35 0.00 3.73 3.54 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 0.00 0.00 0.00 0.00 16 H 8.09 4.89 0.00 3.10 3.28 0.00 5.87 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 17 G 7.92 4.04 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 0.00 0.00 0.00 18 F 8.91 4.04 0.00 3.10 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 19 R 8.07 3.96 0.00 1.89 2.02 0.00 3.35 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 20 A 7.93 4.09 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 21 R 8.15 3.77 0.00 1.99 1.74 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 22 M 7.53 4.02 0.00 1.89 1.56 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 23 A 6.98 4.53 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 24 T 7.34 4.28 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 25 K 8.57 4.14 0.00 1.90 1.77 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.64 7.81 26 N 8.20 4.66 0.00 2.79 2.82 0.00 0.00 6.94 7.61 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 27 G 7.80 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 0.00 0.00 0.00 28 R 8.15 3.98 0.00 2.02 1.95 0.00 3.09 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 29 Q 7.60 4.04 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 30 V 7.61 3.56 2.26 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 1.02 0.00 0.00 0.96 0.00 0.00 31 L 7.97 4.01 0.00 1.87 1.70 0.58 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.89 3.96 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 33 R 8.47 3.86 0.00 1.96 2.00 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 34 R 8.01 3.93 0.00 2.09 2.01 0.00 3.14 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 35 R 8.16 3.96 0.00 1.91 2.01 0.00 3.20 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 36 A 8.19 4.10 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 37 K 8.22 3.88 0.00 1.72 2.01 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 38 G 7.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.83 3.97 0.00 1.97 1.86 0.00 3.31 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 40 A 8.52 4.26 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 41 R 7.32 4.62 0.00 1.84 1.84 0.00 3.17 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 42 L 7.92 4.00 0.00 1.74 1.86 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.07 4.52 4.36 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 1.36 0.00 0.00 44 V 9.47 3.73 2.13 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 0.81 0.00 0.00 0.95 0.00 0.00 45 S 7.89 4.26 0.00 3.85 3.61 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 46 K 8.69 4.13 0.00 1.71 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81