NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 5.2349 8.2148 119.5296 56.9418 33.4705 173.2017 7 T 4.5365 7.3861 113.0113 60.3555 71.7946 171.4839 8 P 4.2125 0.0000 0.0000 62.7467 32.5601 175.2078 9 P 4.3316 0.0000 0.0000 62.5297 33.2654 176.9201 10 A 3.9580 8.6538 121.4935 56.0120 18.1610 179.3752 11 A 3.9204 8.2338 118.1500 56.0234 18.1673 179.8334 12 V 3.5507 7.6776 115.2089 64.6908 31.4990 178.2903 13 L 3.9582 8.2047 119.8573 57.7957 41.4819 179.6644 14 L 4.1073 8.6093 118.9330 57.4839 41.4413 179.8155 15 K 3.9920 8.2280 118.8557 59.4780 31.8697 179.2887 16 K 3.9970 8.1966 118.5770 59.8411 32.1323 178.0808 17 A 4.0410 8.4274 120.9074 54.2687 18.3591 178.6583 18 A 4.0581 8.5970 119.9754 53.4515 19.2718 178.5259 19 G 3.8782 9.8044 104.2571 45.5562 0.0000 172.0582 20 I 4.6393 7.1693 109.6611 59.7491 40.9706 174.3897 21 E 4.5968 8.5831 117.1853 56.3118 30.4215 175.8325 22 S 4.7576 7.5733 113.5659 57.1389 68.7309 175.6794 23 G 3.8971 8.6609 115.6240 45.7565 0.0000 176.7128 24 S 4.7315 8.4217 117.7835 58.9699 67.0694 176.5057 25 G 4.0442 8.0390 105.9262 48.8513 0.0000 177.1572 26 E 3.3669 7.8808 116.6718 57.9745 30.5532 176.4632 27 P 4.3561 0.0000 0.0000 65.8705 31.2931 177.2582 28 N 4.4285 7.7762 115.6431 54.7596 38.8213 176.4008 29 R 4.4204 7.3770 124.5721 54.1145 29.5719 175.1585 30 N 4.4318 8.2608 119.4028 53.0727 39.1653 175.6773 31 K 4.1526 8.6957 123.8055 56.8972 32.8107 176.9994 32 V 4.2212 6.7646 119.5410 61.9946 32.5359 169.9377 33 A 4.8355 7.9208 123.4064 51.1143 21.5022 175.6034 34 T 4.3841 7.6620 111.4177 59.8628 70.1960 173.3959 35 I 4.0396 8.0634 120.9291 61.0745 38.9960 175.7173 36 K 4.2051 8.8955 127.0969 58.3190 32.3293 178.4819 37 R 3.9514 7.9828 124.3673 58.2009 30.9447 176.9618 38 D 4.6791 7.9027 117.3403 55.9937 42.0245 178.5834 39 K 3.9376 8.6295 118.6081 59.6752 32.4666 179.7502 40 V 3.5922 7.7587 118.4787 65.9903 31.2605 177.9998 41 R 3.8501 7.9157 117.7994 59.4095 30.0601 177.8464 42 E 3.9466 7.9188 117.8762 59.8128 29.5278 179.5641 43 I 3.6941 7.8820 119.1501 64.4098 36.9384 178.2702 44 A 4.0891 7.8839 120.5252 55.1566 18.4985 179.4194 45 E 4.0260 8.2934 117.1324 59.6277 29.4387 179.2680 46 L 3.9671 7.7081 118.9478 57.9716 42.4168 178.4071 47 K 4.1299 8.6016 118.7137 57.8558 32.1107 177.9507 48 M 3.9040 7.7299 118.7219 59.1515 31.8314 176.2478 49 P 4.2393 0.0000 0.0000 64.8159 31.8003 176.5823 50 D 4.7496 8.3605 115.9931 53.9153 42.0331 175.6692 51 L 4.8615 7.8972 121.4116 53.3918 42.8508 176.3750 52 N 4.5831 8.6175 119.9196 53.0680 37.5977 175.2219 53 A 4.1966 7.5938 121.0689 52.5814 19.2594 177.3143 54 A 4.0988 8.1061 122.8821 53.5351 18.9807 179.3058 55 S 4.5285 8.1120 109.5299 56.4038 66.5810 175.3436 56 I 3.6734 8.2727 123.8628 64.6387 36.9207 178.2415 57 E 4.1057 8.3447 117.6558 59.4694 29.1357 179.1925 58 A 3.9432 7.6852 120.4642 54.8595 18.5977 179.0319 59 A 3.9529 8.0258 119.5120 56.0697 18.3377 179.5819 60 M 3.9624 8.7064 117.0473 58.6388 32.1082 179.1004 61 R 3.8988 7.8835 117.4338 59.7815 30.1006 178.8537 62 M 4.0356 7.6907 116.6384 58.4467 32.2555 178.4301 63 I 3.8436 7.4693 119.4296 64.7446 37.5071 178.2511 64 E 4.0545 8.7572 119.6327 59.5866 29.3908 179.8488 65 G 3.6602 8.1970 105.4677 47.7351 0.0000 175.6495 66 T 4.2012 8.2229 117.8044 65.7911 68.4083 176.9802 67 A 4.0996 7.8071 122.5859 54.7879 18.4073 179.5359 68 R 3.8473 7.9390 117.3441 59.6904 30.0431 178.7120 69 S 4.3230 7.4296 111.5937 61.0765 62.7262 175.3606 70 M 4.6255 7.5964 116.2485 53.3871 33.0454 173.7526 71 G 3.6833 9.3448 112.9229 45.5788 0.0000 174.0093 72 I 4.6173 8.0562 124.2815 62.1319 38.4394 174.9606 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 8.21 5.23 0.00 1.76 1.85 0.00 1.70 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 7 T 7.39 4.54 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 8 P 0.00 4.21 0.00 2.03 2.02 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 9 P 0.00 4.33 0.00 2.15 2.00 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 10 A 8.65 3.96 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 11 A 8.23 3.92 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 12 V 7.68 3.55 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 1.07 0.00 0.00 0.93 0.00 0.00 13 L 8.20 3.96 0.00 1.95 1.77 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.61 4.11 0.00 1.91 1.72 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.23 3.99 0.00 2.00 1.98 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 K 8.20 4.00 0.00 1.72 1.98 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 A 8.43 4.04 1.34 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 0.00 0.00 18 A 8.60 4.06 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 19 G 9.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.17 4.64 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 1.54 0.64 0.91 0.00 0.00 21 E 8.58 4.60 0.00 1.94 1.98 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 2.20 2.23 0.00 22 S 7.57 4.76 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 0.00 0.00 0.00 24 S 8.42 4.73 0.00 3.85 3.79 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 0.00 0.00 0.00 0.00 25 G 8.04 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 26 E 7.88 3.37 0.00 2.07 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 27 P 0.00 4.36 0.00 2.17 2.18 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 28 N 7.78 4.43 0.00 2.78 2.86 0.00 0.00 6.97 7.06 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 29 R 7.38 4.42 0.00 1.78 1.88 0.00 3.38 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 30 N 8.26 4.43 0.00 2.71 2.76 0.00 0.00 7.14 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 31 K 8.70 4.15 0.00 1.85 1.82 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.41 7.81 32 V 6.76 4.22 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 0.72 0.00 0.00 0.93 0.00 0.00 33 A 7.92 4.84 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 34 T 7.66 4.38 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 35 I 8.06 4.04 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 1.69 0.79 0.91 0.00 0.00 36 K 8.90 4.21 0.00 2.00 1.94 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 37 R 7.98 3.95 0.00 1.80 2.07 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 38 D 7.90 4.68 0.00 2.75 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 39 K 8.63 3.94 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 40 V 7.76 3.59 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 0.99 0.00 0.00 0.93 0.00 0.00 41 R 7.92 3.85 0.00 1.91 1.90 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 42 E 7.92 3.95 0.00 2.22 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 2.34 2.65 0.00 43 I 7.88 3.69 1.98 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 1.45 0.78 0.91 0.00 0.00 44 A 7.88 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.03 0.00 2.16 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 2.31 2.53 0.00 46 L 7.71 3.97 0.00 1.63 1.82 0.92 0.51 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 47 K 8.60 4.13 0.00 1.98 1.77 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 48 M 7.73 3.90 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 49 P 0.00 4.24 0.00 2.06 2.11 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 50 D 8.36 4.75 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.86 0.00 1.69 1.57 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.62 4.58 0.00 2.83 2.90 0.00 0.00 6.14 7.26 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 53 A 7.59 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.10 1.21 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 0.00 0.00 0.00 55 S 8.11 4.53 0.00 4.28 3.99 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 56 I 8.27 3.67 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 1.69 0.49 0.91 0.00 0.00 57 E 8.34 4.11 0.00 2.15 2.23 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 2.37 2.34 0.00 58 A 7.69 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 3.95 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 60 M 8.71 3.96 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 61 R 7.88 3.90 0.00 2.06 2.01 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 62 M 7.69 4.04 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 63 I 7.47 3.84 1.98 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 1.74 0.99 0.91 0.00 0.00 64 E 8.76 4.05 0.00 2.09 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 2.33 2.52 0.00 65 G 8.20 3.66 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 0.00 0.00 0.00 66 T 8.22 4.20 4.31 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 1.21 0.00 0.00 67 A 7.81 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.94 3.85 0.00 1.93 2.07 0.00 3.12 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 69 S 7.43 4.32 0.00 4.12 4.01 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 70 M 7.60 4.63 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.84 0.00 71 G 9.34 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.06 4.62 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 1.15 1.44 0.95 0.00 0.00