NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3917 8.3044 120.3489 55.1692 33.3881 174.4812 2 V 3.4446 8.7416 126.8417 64.5604 31.5078 174.5406 3 I 4.2794 7.7975 124.3735 59.1349 40.3944 173.7589 4 A 4.5714 8.1733 130.8630 50.8881 20.8209 177.8817 5 T 3.8949 8.5291 115.7155 67.2466 68.2043 176.7334 6 D 4.8268 8.0727 118.2590 56.9378 40.9083 177.7512 7 D 4.5667 7.9617 118.1141 55.7041 41.2588 176.6628 8 L 4.6687 8.3230 119.3684 55.3439 44.3111 176.4822 9 E 5.2149 8.1179 115.5391 54.4097 33.1652 175.6202 10 V 4.5086 8.8484 122.7122 60.7615 34.3658 174.8148 11 A 4.4437 8.4875 128.4395 51.9331 19.3851 176.6876 12 C 4.3729 8.6170 122.6506 58.7174 32.1099 172.9304 13 P 4.4088 0.0000 0.0000 64.8346 31.7718 177.7369 14 K 4.0322 8.2067 120.1806 59.2626 32.4409 177.0829 15 C 4.5184 8.0221 110.6748 57.0085 30.6644 172.9299 16 E 4.0599 8.9569 119.3838 57.9016 26.9787 175.9969 17 R 4.2576 8.0864 113.8836 56.4263 28.8261 178.1092 18 A 3.9964 7.9421 120.7545 53.2039 18.5831 179.1705 19 G 4.0652 8.4893 103.1655 45.4689 0.0000 172.7720 20 E 5.0139 7.7587 117.3914 54.5021 33.0365 175.5672 21 I 4.2192 8.1837 123.2146 60.1332 38.2532 175.6475 22 E 3.6527 9.6952 128.2634 57.3670 26.6244 174.0150 23 G 4.2786 8.5943 108.8546 45.5941 0.0000 173.6892 24 T 4.4841 7.3979 109.0228 58.6735 70.5887 172.2084 25 P 4.4834 0.0000 0.0000 63.1297 32.0576 175.7014 26 C 4.2193 9.0739 124.1642 58.8156 31.6285 172.5647 27 P 4.3543 0.0000 0.0000 64.8494 31.2626 177.3956 28 A 4.0525 7.7879 122.4232 54.8791 18.5890 177.7337 29 C 4.3463 7.9374 107.5285 57.3868 30.6323 173.4191 30 S 3.5194 8.6769 113.9143 59.7037 60.5128 172.7073 31 G 4.0837 8.4206 107.8261 45.5127 0.0000 175.3518 32 K 3.9737 7.5559 118.4863 57.5179 32.5077 178.4560 33 G 3.9549 9.4828 105.6431 45.3862 0.0000 172.4369 34 V 4.8342 7.2587 116.7805 61.6030 34.7916 172.9227 35 I 4.6454 8.8160 127.4293 59.3174 40.1540 175.0985 36 L 4.7686 8.6358 126.8768 54.9112 42.5462 176.9628 37 T 4.3570 8.6155 112.9438 60.6823 70.6913 175.4685 38 A 4.0082 8.7949 123.5892 55.6366 18.2252 179.6923 39 Q 4.0509 8.1732 117.4266 59.2373 29.1758 178.7096 40 G 3.5744 8.0670 106.7323 48.0377 0.0000 174.9454 41 Y 4.0376 8.4484 122.9226 60.6011 38.7283 178.3380 42 T 3.9371 8.2175 116.4726 66.7315 68.6657 176.3962 43 L 4.0415 7.8236 120.4333 57.9071 41.6616 179.4955 44 L 3.9529 7.8877 120.1234 58.1207 42.0012 178.7301 45 D 4.1047 8.1481 119.1220 57.1547 40.8844 178.2982 46 F 4.1724 8.1707 121.0496 61.4963 39.4198 177.0031 47 I 3.4315 7.8086 119.0803 64.6095 36.7397 178.3090 48 Q 3.9666 7.8836 117.5377 58.8717 28.6182 178.9245 49 K 4.0323 7.8056 118.3491 59.0250 32.9601 177.9194 50 H 4.6891 7.3587 114.7229 54.7422 30.3606 174.7916 51 L 3.8675 7.7370 123.6695 56.1047 42.5232 176.3500 52 N 4.2050 8.7469 122.8829 54.7478 36.0563 174.3324 53 K 4.1695 7.8156 120.8450 56.6656 33.0397 176.7484 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 4.39 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 8.74 3.44 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 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.80 4.28 1.87 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 1.35 1.07 0.91 0.00 0.00 4 A 8.17 4.57 1.32 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 0.00 0.00 5 T 8.53 3.89 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 6 D 8.07 4.83 0.00 2.65 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 7.96 4.57 0.00 2.88 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 L 8.32 4.67 0.00 1.67 1.69 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.12 5.21 0.00 1.81 1.82 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 2.21 2.28 0.00 10 V 8.85 4.51 2.21 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 0.97 0.00 0.00 0.94 0.00 0.00 11 A 8.49 4.44 1.23 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 0.00 0.00 0.00 12 C 8.62 4.37 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.41 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 K 8.21 4.03 0.00 1.72 1.87 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.49 7.81 15 C 8.02 4.52 0.00 3.12 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 16 E 8.96 4.06 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 17 R 8.09 4.26 0.00 1.99 2.14 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 18 A 7.94 4.00 1.35 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 0.00 0.00 19 G 8.49 4.07 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 0.00 0.00 0.00 20 E 7.76 5.01 0.00 1.91 1.81 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 2.20 2.29 0.00 21 I 8.18 4.22 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 1.30 0.89 0.91 0.00 0.00 22 E 9.70 3.65 0.00 2.11 2.01 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 2.21 2.23 0.00 23 G 8.59 4.28 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 0.00 24 T 7.40 4.48 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 25 P 0.00 4.48 0.00 2.06 2.06 0.00 3.68 0.00 0.00 3.58 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 26 C 9.07 4.22 0.00 2.93 2.91 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 27 P 0.00 4.35 0.00 2.22 2.16 0.00 3.82 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 1.98 1.96 0.00 28 A 7.79 4.05 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 29 C 7.94 4.35 0.00 3.27 3.18 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 0.00 30 S 8.68 3.52 0.00 4.06 3.96 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 0.00 0.00 0.00 31 G 8.42 4.08 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 0.00 0.00 0.00 32 K 7.56 3.97 0.00 1.85 1.89 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.40 7.81 33 G 9.48 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 34 V 7.26 4.83 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 0.76 0.00 0.00 1.07 0.00 0.00 35 I 8.82 4.65 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 1.24 0.55 0.92 0.00 0.00 36 L 8.64 4.77 0.00 1.63 1.69 0.99 0.94 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 37 T 8.62 4.36 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 1.23 0.00 0.00 38 A 8.79 4.01 1.35 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 0.00 0.00 39 Q 8.17 4.05 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 40 G 8.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.04 0.00 3.10 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 42 T 8.22 3.94 4.50 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 1.23 0.00 0.00 43 L 7.82 4.04 0.00 1.75 1.77 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.89 3.95 0.00 1.83 1.71 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.15 4.10 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.17 0.00 3.14 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.43 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.67 0.86 0.00 0.00 48 Q 7.88 3.97 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 49 K 7.81 4.03 0.00 1.76 1.80 0.00 1.27 0.00 0.00 1.51 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 0.89 7.81 50 H 7.36 4.69 0.00 2.72 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.74 3.87 0.00 1.58 1.52 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.75 4.20 0.00 2.86 2.84 0.00 0.00 6.85 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 53 K 7.82 4.17 0.00 1.66 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.45 7.81