NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3455 8.2649 123.5707 51.2319 19.7170 177.3748 3 K 4.3513 8.5720 116.4893 59.3770 35.3627 179.0023 4 H 3.4765 8.9623 112.5234 54.9727 30.8859 175.3371 5 P 4.4752 0.0000 0.0000 63.5719 32.5893 175.5767 6 V 4.3275 7.5952 117.8327 61.4506 34.1017 170.8554 7 P 4.5665 0.0000 0.0000 62.2381 32.0837 176.8627 8 K 4.1531 8.5591 120.3238 58.9326 32.3957 176.8270 9 K 4.5491 7.4106 115.5207 54.7129 36.0661 175.1740 10 K 4.1763 8.3519 121.6775 56.4955 32.7718 176.1103 11 T 4.4083 8.1221 114.3889 60.2109 70.3100 175.3259 12 S 4.0776 8.6729 120.0012 59.3603 64.0687 175.9285 13 K 3.3690 8.9001 125.2239 59.6924 31.6847 179.3655 14 S 4.1009 7.9535 112.8924 61.3020 62.0798 175.7391 15 K 3.8140 7.9706 121.8110 59.3996 31.7570 178.1399 16 R 3.9255 8.8034 120.1120 59.7835 29.7138 178.1692 17 D 4.3531 7.6695 116.4910 58.1613 40.9608 178.5599 18 M 3.9413 8.2576 118.4040 58.1945 32.1084 178.9262 19 R 4.1666 7.7706 115.4502 59.1481 30.2429 178.8780 20 R 4.0763 7.6320 119.2100 56.8802 30.2716 178.1423 21 S 4.5052 8.5216 112.9432 58.9626 62.3567 174.6553 22 H 4.8444 8.4250 114.0179 57.0051 31.0766 173.4948 23 H 4.6952 8.1147 114.8938 55.3478 28.8291 174.6440 24 A 4.1626 7.7958 123.7209 51.3677 18.1970 177.9988 25 L 4.0860 8.4744 123.8636 55.4721 42.2453 177.6099 26 T 4.1663 8.3731 113.2442 61.1979 69.8804 173.8679 27 A 4.6689 8.0874 125.6207 49.6649 21.0417 175.2565 28 P 4.2655 0.0000 0.0000 63.3957 31.8659 176.9326 29 N 4.6835 8.2654 120.7592 52.0060 37.4752 174.3561 30 L 4.4445 7.8070 121.7815 54.6438 43.1289 175.7941 31 T 4.7634 8.9150 117.2212 61.8649 73.1960 172.2281 32 E 4.9697 8.5094 123.6458 54.4754 30.7401 175.4208 33 C 4.2581 9.0032 127.5434 59.0803 32.1817 172.3272 34 P 4.5362 0.0000 0.0000 64.0391 32.0874 175.9855 35 Q 4.3354 8.0935 117.6935 53.5558 29.4081 173.8814 36 C 5.5529 8.8291 124.0244 55.4000 40.3507 174.5418 37 H 3.9761 7.2478 114.2859 55.4853 27.0720 174.5023 38 G 3.9781 7.9428 106.7065 46.5608 0.0000 171.9562 39 K 5.1742 8.5034 118.7998 54.8382 33.7007 176.8655 40 K 4.5452 9.1300 124.1513 55.2825 36.3855 174.6104 41 L 4.7233 8.1033 122.0884 53.2425 43.5978 175.2528 42 S 4.1063 8.6012 120.0191 60.4288 62.5679 173.7331 43 H 4.7045 9.1709 122.2008 57.2306 25.6177 173.5257 44 H 4.9630 8.0713 115.2558 53.5470 32.4742 173.0269 45 I 4.4925 8.0124 120.9555 60.4375 37.4801 175.2999 46 C 4.1278 9.0840 125.7221 59.1035 30.9904 171.8852 47 P 4.2399 0.0000 0.0000 66.1706 30.8939 177.6776 48 N 4.4581 8.2851 115.1083 55.8582 38.5606 175.0034 49 C 4.5165 8.1612 109.7033 54.9441 37.1394 173.8592 50 G 3.8536 8.8433 109.5897 46.9462 0.0000 173.3310 51 Y 5.4791 7.7433 116.7606 55.9959 40.1497 174.3354 52 Y 5.0752 8.1153 117.1983 58.3458 40.6483 172.9837 53 D 4.9409 9.2581 121.6885 54.3315 38.7692 175.5031 54 G 3.9485 7.5512 105.5223 43.6688 0.0000 170.9064 55 R 3.8346 7.5635 120.0631 54.2603 28.6672 176.2472 56 Q 3.9940 7.4853 125.5133 57.9388 29.2940 177.8503 57 V 3.7620 7.3747 120.2808 62.7768 32.8147 175.8650 58 L 4.0995 8.8426 123.2837 55.2783 41.9158 177.0671 59 A 4.2428 7.9595 125.9040 51.8571 18.6042 176.0194 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 2 A 8.26 4.35 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 3 K 8.57 4.35 0.00 1.79 1.80 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.59 7.81 4 H 8.96 3.48 0.00 3.23 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.48 0.00 2.05 1.99 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 6 V 7.60 4.33 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 0.73 0.00 0.00 0.99 0.00 0.00 7 P 0.00 4.57 0.00 2.22 2.03 0.00 3.82 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 1.98 1.98 0.00 8 K 8.56 4.15 0.00 1.77 1.91 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.40 7.81 9 K 7.41 4.55 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.37 7.81 10 K 8.35 4.18 0.00 1.71 1.70 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 8.12 4.41 4.25 0.00 0.00 0.00 0.00 0.00 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 12 S 8.67 4.08 0.00 4.00 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 13 K 8.90 3.37 0.00 1.79 1.89 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.52 7.81 14 S 7.95 4.10 0.00 3.89 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 15 K 7.97 3.81 0.00 1.90 1.94 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.57 7.81 16 R 8.80 3.93 0.00 1.93 2.11 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 17 D 7.67 4.35 0.00 2.86 2.71 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 18 M 8.26 3.94 0.00 1.95 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.93 0.00 19 R 7.77 4.17 0.00 2.08 2.19 0.00 2.87 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 20 R 7.63 4.08 0.00 1.86 2.15 0.00 3.14 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 21 S 8.52 4.51 0.00 3.81 3.98 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 0.00 0.00 0.00 22 H 8.42 4.84 0.00 2.94 3.18 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.11 4.70 0.00 3.13 3.32 0.00 5.89 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 24 A 7.80 4.16 1.26 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 0.00 0.00 0.00 25 L 8.47 4.09 0.00 1.64 1.64 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.37 4.17 4.25 0.00 0.00 0.00 0.00 0.00 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 27 A 8.09 4.67 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 2.05 2.03 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 29 N 8.27 4.68 0.00 2.68 2.75 0.00 0.00 7.08 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 30 L 7.81 4.44 0.00 1.57 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.92 4.76 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 32 E 8.51 4.97 0.00 1.97 1.84 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 2.26 2.58 0.00 33 C 9.00 4.26 0.00 3.06 2.81 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 34 P 0.00 4.54 0.00 2.18 2.12 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 35 Q 8.09 4.34 0.00 1.65 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.27 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 36 C 8.83 5.55 0.00 3.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.25 3.98 0.00 3.27 3.60 0.00 5.77 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 38 G 7.94 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.50 5.17 0.00 1.65 1.78 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.42 7.81 40 K 9.13 4.55 0.00 1.81 1.96 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 41 L 8.10 4.72 0.00 1.74 1.45 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.60 4.11 0.00 3.88 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 43 H 9.17 4.70 0.00 3.54 3.60 0.00 5.75 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.07 4.96 0.00 3.12 3.15 0.00 5.67 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 45 I 8.01 4.49 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 1.06 0.00 0.00 46 C 9.08 4.13 0.00 3.03 2.98 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 0.00 0.00 0.00 47 P 0.00 4.24 0.00 2.23 2.23 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 48 N 8.29 4.46 0.00 2.74 2.91 0.00 0.00 6.84 7.66 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 49 C 8.16 4.52 0.00 2.82 3.06 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 0.00 0.00 0.00 50 G 8.84 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 0.00 0.00 0.00 51 Y 7.74 5.48 0.00 3.05 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 52 Y 8.12 5.08 0.00 3.02 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 53 D 9.26 4.94 0.00 2.73 3.09 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 0.00 0.00 0.00 0.00 54 G 7.55 3.95 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 0.00 0.00 0.00 55 R 7.56 3.83 0.00 0.99 1.62 0.00 3.69 0.00 0.00 3.66 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 56 Q 7.49 3.99 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 57 V 7.37 3.76 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 0.80 0.00 0.00 0.93 0.00 0.00 58 L 8.84 4.10 0.00 1.66 1.62 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.96 4.24 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