NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2247 8.3144 121.7888 55.6993 33.7555 174.3841 2 D 4.7676 7.1037 114.9199 51.0358 44.3860 173.1892 3 R 3.5811 8.4654 120.6240 53.2220 31.6023 174.2364 4 P 4.4354 0.0000 0.0000 62.3791 32.1185 177.6936 5 S 4.3232 8.6463 118.3588 60.6640 62.9406 175.7909 6 L 4.2637 7.7681 119.0097 56.3798 41.5897 178.1749 7 C 4.5245 8.0619 115.4663 57.8595 40.5174 173.6442 8 D 4.5320 7.5614 117.6640 53.8840 41.2218 176.0481 9 L 4.3215 7.5349 118.3490 54.0899 42.5325 175.0219 10 P 4.2173 0.0000 0.0000 62.1607 31.8910 176.1978 11 A 3.9394 8.3423 124.6544 52.1553 18.1688 176.4591 12 D 4.9758 8.4883 122.0188 53.1229 43.8511 176.0528 13 S 4.5141 8.1392 120.5704 57.5025 63.8069 175.2955 14 G 4.7992 8.2036 106.6664 45.9790 0.0000 172.9148 15 S 4.6569 7.7493 112.5554 57.9395 63.4456 175.4372 16 G 3.8735 7.8634 110.5592 45.6846 0.0000 174.1529 17 T 4.2324 8.2310 113.9069 63.7032 69.0253 174.9854 18 K 4.5983 7.3429 123.0007 54.7803 34.9744 174.6147 19 A 5.0566 8.3676 124.3298 49.9971 21.2608 175.3701 20 E 4.5807 8.8277 122.6275 54.4463 33.7250 174.0728 21 K 4.5819 8.7747 128.3492 55.8089 32.9963 175.1284 22 R 4.8784 8.6123 126.8392 54.3562 34.8547 174.0736 23 I 5.2745 8.8307 118.9184 59.8727 41.7099 173.8221 24 Y 5.0695 9.0850 125.5167 55.0663 41.6786 173.6202 25 Y 4.4692 8.2130 121.8311 56.9524 39.7512 173.8773 26 N 4.7562 9.0552 127.5501 53.4130 39.3372 176.1095 27 S 4.1138 8.9377 122.8893 61.5851 63.4886 176.5420 28 A 4.0270 8.0462 121.8937 55.1251 18.3030 178.7053 29 R 4.0298 8.6795 113.5527 56.6954 30.3602 176.5752 30 K 3.9032 7.3826 116.6829 55.8937 31.3560 174.3677 31 Q 4.6568 7.7012 113.0754 53.8433 33.4150 173.8947 32 C 4.9748 8.7927 120.3735 56.9006 37.0534 173.0285 33 L 4.9289 9.1510 122.3301 52.8855 46.1530 175.5500 34 R 4.8379 8.5296 121.9275 56.1005 31.2043 175.2038 35 F 4.9215 8.9440 119.4647 55.4059 42.2189 172.9431 36 D 4.9653 8.6355 118.8055 53.2921 42.3402 174.8897 37 Y 4.8454 8.7874 126.3026 56.3629 39.0594 175.9706 38 T 4.5280 7.6629 115.0636 60.7154 70.4372 176.2278 39 G 3.6886 8.8108 109.7577 45.1103 0.0000 173.0918 40 Q 4.3052 7.5474 120.5623 55.5122 32.0856 174.9054 41 G 4.2870 9.0896 113.9422 46.6948 0.0000 172.1469 42 G 4.7617 7.7595 110.5499 43.6851 0.0000 172.3194 43 N 5.1674 8.5087 116.4897 50.7472 40.4223 174.3498 44 E 4.0427 8.6153 117.6356 58.7066 29.7798 177.6019 45 N 4.4117 7.2450 118.2825 52.3335 37.1229 171.9767 46 N 4.6902 7.9190 118.7445 51.3757 41.1466 173.2082 47 F 4.8058 8.5970 125.1022 55.7503 40.7066 176.8634 48 R 4.2855 8.5016 123.6601 56.8399 31.0825 176.5284 49 R 4.6885 7.4480 116.3825 54.2728 34.5455 175.4460 50 T 3.9079 8.4673 121.6395 66.9120 68.4830 176.4265 51 Y 3.9929 7.8426 121.0617 60.3535 38.5925 177.2670 52 D 4.3527 8.0811 119.8396 57.3489 40.9114 177.4757 53 C 3.8388 7.8738 114.1108 58.4635 42.8489 175.5231 54 Q 3.8859 7.9601 122.6166 58.7006 28.5635 178.4736 55 R 3.9238 8.5505 120.1916 59.8113 29.9546 178.3957 56 T 3.8840 7.7113 111.5511 64.7390 67.4933 174.9507 57 C 4.5663 8.3564 116.4826 57.2921 40.9342 174.1552 58 L 4.1118 7.9232 121.0832 55.9448 42.6244 176.4690 59 Y 4.3421 7.1363 116.9620 56.5220 36.0606 175.3617 60 T 4.1786 7.6489 118.0328 61.9476 67.8598 173.4085 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 K 8.31 4.22 0.00 1.73 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 2 D 7.10 4.77 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 3.58 0.00 1.87 1.80 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 4 P 0.00 4.44 0.00 2.18 1.97 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 5 S 8.65 4.32 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.26 0.00 1.64 1.72 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.06 4.52 0.00 3.08 3.15 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 0.00 0.00 0.00 0.00 8 D 7.56 4.53 0.00 2.61 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.53 4.32 0.00 1.74 1.57 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.22 0.00 2.02 1.96 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 11 A 8.34 3.94 0.99 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 0.00 0.00 12 D 8.49 4.98 0.00 2.59 2.55 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 0.00 13 S 8.14 4.51 0.00 3.91 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 14 G 8.20 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 4.66 0.00 3.64 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 16 G 7.86 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.23 4.23 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 18 K 7.34 4.60 0.00 1.97 1.90 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 19 A 8.37 5.06 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.83 4.58 0.00 2.10 2.05 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 2.26 2.33 0.00 21 K 8.77 4.58 0.00 1.81 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 22 R 8.61 4.88 0.00 1.69 1.91 0.00 3.47 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 23 I 8.83 5.27 1.88 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 1.29 1.48 0.94 0.00 0.00 24 Y 9.09 5.07 0.00 2.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 4.47 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.06 4.76 0.00 2.82 2.81 0.00 0.00 6.87 8.12 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 27 S 8.94 4.11 0.00 3.93 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 28 A 8.05 4.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.68 4.03 0.00 1.83 1.99 0.00 3.48 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 30 K 7.38 3.90 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.36 7.81 31 Q 7.70 4.66 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 32 C 8.79 4.97 0.00 2.85 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 33 L 9.15 4.93 0.00 1.37 1.41 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.53 4.84 0.00 1.82 1.81 0.00 3.36 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.57 0.00 35 F 8.94 4.92 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.97 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.79 4.85 0.00 2.68 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 4.53 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 1.17 0.00 0.00 39 G 8.81 3.69 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 0.00 0.00 0.00 40 Q 7.55 4.31 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.79 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 41 G 9.09 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 0.00 0.00 0.00 0.00 42 G 7.76 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 5.17 0.00 2.79 2.80 0.00 0.00 5.93 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 44 E 8.62 4.04 0.00 1.97 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 2.31 2.23 0.00 45 N 7.25 4.41 0.00 2.94 2.72 0.00 0.00 6.96 7.71 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 46 N 7.92 4.69 0.00 2.44 2.52 0.00 0.00 6.90 6.79 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 47 F 8.60 4.81 0.00 2.72 2.44 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 0.00 48 R 8.50 4.29 0.00 1.75 1.93 0.00 3.18 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 49 R 7.45 4.69 0.00 1.85 1.68 0.00 3.24 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 50 T 8.47 3.91 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 51 Y 7.84 3.99 0.00 2.49 2.36 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 52 D 8.08 4.35 0.00 3.03 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 C 7.87 3.84 0.00 2.99 3.24 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 0.00 54 Q 7.96 3.89 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 55 R 8.55 3.92 0.00 1.81 1.89 0.00 3.10 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 56 T 7.71 3.88 4.23 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 0.00 0.00 0.00 1.17 0.00 0.00 57 C 8.36 4.57 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.11 0.00 1.50 1.86 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.14 4.34 0.00 2.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.18 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 1.20 0.00 0.00