NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2605 8.3149 122.1361 53.7937 33.3990 174.7749 7 P 4.1739 0.0000 0.0000 58.4462 32.0036 172.4863 8 C 5.0867 8.2241 117.0769 53.8081 45.6824 173.5722 9 C 4.8274 8.8820 118.9370 56.1339 45.9794 173.1823 10 D 4.3435 9.0230 128.3198 57.2522 40.8727 176.8697 11 Q 4.4720 8.1104 121.3418 54.8490 29.7504 175.0668 12 C 5.5345 8.8096 123.7899 54.6321 47.9711 172.8022 13 A 4.9612 8.7072 124.7884 50.5909 22.4089 174.5354 14 C 5.4032 8.5950 118.0699 55.4509 44.3565 174.2879 15 T 4.1408 8.5039 114.4904 61.4977 69.4337 175.0531 16 K 4.1954 8.6610 123.8512 56.7536 31.0969 176.5002 17 S 4.5780 7.7659 116.7157 57.9151 64.6725 175.7171 18 N 4.9650 8.7367 120.0017 50.9947 39.4535 173.5096 19 P 4.6269 0.0000 0.0000 61.3943 33.0767 173.2887 20 P 4.9902 0.0000 0.0000 60.9514 33.7913 174.3924 21 Q 4.8821 8.4884 119.9758 55.0310 30.5975 173.6679 22 C 6.1068 9.0914 121.1994 54.3217 41.3320 173.3768 23 R 5.0681 8.5188 120.6472 53.6563 33.8403 175.0873 24 C 5.1919 8.6325 120.9848 55.2965 44.7022 173.8086 25 S 4.5898 8.8798 122.9839 59.8605 62.9769 174.8417 26 D 4.3676 7.9647 119.4773 52.8736 40.1350 175.3888 27 M 4.3453 7.9692 117.2103 53.6752 33.2566 174.9755 28 R 4.5629 8.7141 122.7528 54.3335 33.6867 174.9172 29 L 4.8441 8.2389 120.0494 54.9228 42.3813 176.2987 30 N 4.7652 10.5767 123.3347 53.6871 38.2314 174.6889 31 S 4.5216 7.1045 107.7829 57.3590 65.1742 175.3348 32 C 4.4667 8.4924 119.6409 56.4580 35.7000 172.9034 33 H 4.4683 8.1140 116.9198 55.2789 28.8372 176.5882 34 S 4.1309 8.6378 114.9116 60.9162 62.6398 175.1920 35 A 4.7100 7.8307 122.0909 51.9126 19.3984 176.5415 36 C 4.9468 7.8331 120.7146 56.2389 44.1911 173.3469 37 K 3.9559 9.0763 128.8600 58.5012 32.2977 176.7081 38 S 4.6608 8.9945 114.9671 56.9791 63.9577 171.4960 39 C 5.3807 8.8016 127.3560 54.6966 44.9303 172.5930 40 I 4.5402 8.9609 126.6524 59.6048 40.0393 173.2739 41 C 5.7363 8.6896 126.1624 54.6810 43.2528 173.9329 42 A 4.0212 8.7987 124.5347 52.1878 18.4875 178.9801 43 L 4.2195 8.5930 125.3787 53.2664 40.2337 175.6164 44 S 4.5718 7.4367 114.3249 57.3526 65.2111 175.3848 45 Y 4.1451 8.5634 123.6962 55.2600 39.7298 173.7802 46 P 4.1919 0.0000 0.0000 62.5116 32.6168 174.8698 47 A 4.8732 7.8041 119.3649 49.6013 21.8861 176.2021 48 Q 4.7403 8.5523 120.3798 55.1695 30.1805 175.2167 49 C 5.3530 9.5607 123.4509 55.3268 42.3557 173.6570 50 F 5.1827 9.0812 122.2655 56.0204 41.9734 173.8496 51 C 5.1727 8.7466 120.6701 55.3033 44.5769 173.7133 52 V 4.0131 8.4800 119.3745 61.3415 31.4580 176.6207 53 D 4.4159 8.2647 123.8982 55.7580 41.6076 177.3302 54 I 4.8833 8.0814 117.6550 58.0111 36.4753 175.7239 55 T 4.0274 7.5385 113.4237 62.3659 69.3964 173.7658 56 D 5.6760 8.3695 119.7082 52.2565 40.2680 176.0998 57 F 4.7031 7.0071 110.9595 57.4701 40.0983 173.5515 58 C 4.5689 8.6313 119.8407 55.9564 41.2775 173.4118 59 Y 4.5517 8.4925 123.8350 58.6876 38.8733 175.5694 60 E 4.5756 8.8055 117.8432 55.0357 32.0884 172.8572 61 P 4.6941 0.0000 0.0000 63.6700 31.9733 174.8105 62 C 4.9425 8.2926 119.3949 56.7572 43.8018 175.2993 63 K 4.2523 8.6313 120.6487 55.3268 31.0703 172.3736 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 6 K 8.31 4.26 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 7 P 0.00 4.17 0.00 1.05 1.09 0.00 3.55 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 8 C 8.22 5.09 0.00 3.30 3.02 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 9 C 8.88 4.83 0.00 2.94 3.10 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 0.00 0.00 0.00 0.00 10 D 9.02 4.34 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.11 4.47 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 12 C 8.81 5.53 0.00 2.98 2.94 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 13 A 8.71 4.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.60 5.40 0.00 2.81 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 15 T 8.50 4.14 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 16 K 8.66 4.20 0.00 1.77 1.84 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 17 S 7.77 4.58 0.00 3.95 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 18 N 8.74 4.96 0.00 2.72 2.79 0.00 0.00 7.00 8.02 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 19 P 0.00 4.63 0.00 2.20 2.08 0.00 3.76 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 1.99 1.96 0.00 20 P 0.00 4.99 0.00 2.13 2.33 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.81 0.00 21 Q 8.49 4.88 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 22 C 9.09 6.11 0.00 2.88 2.99 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 23 R 8.52 5.07 0.00 1.75 1.80 0.00 3.35 0.00 0.00 3.21 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 24 C 8.63 5.19 0.00 3.03 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 25 S 8.88 4.59 0.00 3.88 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 26 D 7.96 4.37 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.97 4.35 0.00 1.12 1.16 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 28 R 8.71 4.56 0.00 1.79 1.81 0.00 3.21 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 29 L 8.24 4.84 0.00 1.49 1.55 0.90 1.03 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 30 N 10.58 4.77 0.00 2.83 3.00 0.00 0.00 6.90 7.16 0.00 0.00 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 S 7.10 4.52 0.00 3.89 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 32 C 8.49 4.47 0.00 2.93 2.94 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 33 H 8.11 4.47 0.00 3.19 3.38 0.00 5.48 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.64 4.13 0.00 3.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.83 4.71 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 36 C 7.83 4.95 0.00 2.72 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 37 K 9.08 3.96 0.00 2.04 1.82 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.45 7.81 38 S 8.99 4.66 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 39 C 8.80 5.38 0.00 2.96 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 40 I 8.96 4.54 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.95 0.00 0.00 41 C 8.69 5.74 0.00 2.83 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 42 A 8.80 4.02 1.24 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 0.00 0.00 43 L 8.59 4.22 0.00 1.59 1.62 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.44 4.57 0.00 4.00 3.89 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 45 Y 8.56 4.15 0.00 2.99 2.92 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 0.00 0.00 0.00 46 P 0.00 4.19 0.00 2.19 2.11 0.00 3.84 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 1.99 2.00 0.00 47 A 7.80 4.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.74 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 49 C 9.56 5.35 0.00 2.90 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 50 F 9.08 5.18 0.00 2.78 2.84 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 51 C 8.75 5.17 0.00 2.85 2.93 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 52 V 8.48 4.01 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 0.66 0.00 0.00 0.98 0.00 0.00 53 D 8.26 4.42 0.00 2.73 2.63 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 54 I 8.08 4.88 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 1.10 1.75 0.91 0.00 0.00 55 T 7.54 4.03 3.44 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 1.10 0.00 0.00 56 D 8.37 5.68 0.00 2.96 2.78 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 0.00 0.00 0.00 0.00 57 F 7.01 4.70 0.00 3.02 2.93 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 58 C 8.63 4.57 0.00 3.02 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 59 Y 8.49 4.55 0.00 2.86 2.92 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 0.00 0.00 0.00 60 E 8.81 4.58 0.00 1.65 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 2.27 1.90 0.00 61 P 0.00 4.69 0.00 1.94 2.12 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 62 C 8.29 4.94 0.00 2.84 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.63 4.25 0.00 1.95 1.78 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.22 0.98 7.81