NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.4307 8.3349 116.7897 58.1383 64.6698 173.6660 35 S 4.3101 7.5401 117.3546 57.6479 63.3580 174.4188 36 G 3.7735 7.7862 110.8533 47.4141 0.0000 176.3940 37 R 3.9546 7.6420 115.5946 58.5875 29.8299 177.4681 38 F 5.0557 7.9654 115.8084 57.4696 40.2942 176.7313 39 G 3.7266 7.3637 109.6717 47.1737 0.0000 174.5566 40 A 4.3975 8.6247 127.8826 51.9822 18.8970 177.2020 41 R 4.0598 7.2436 117.0297 56.1431 31.5271 176.7443 42 Y 3.9327 8.4280 117.3125 57.7568 37.2319 171.6007 43 G 4.0267 8.1174 103.3163 45.2167 0.0000 172.7733 44 R 3.7557 7.9984 115.1587 60.0143 29.8733 178.8667 45 V 3.5835 7.8210 116.8035 66.7128 31.8862 178.8598 46 S 4.1068 8.0668 114.2538 61.3023 62.7096 176.0409 47 R 4.5671 7.9428 116.5115 57.2937 29.7690 178.3318 48 R 4.0206 8.2638 120.6905 59.4151 30.4252 178.3293 49 R 4.0091 7.9962 117.6114 58.8027 29.9272 179.1009 50 V 3.6401 7.5331 116.9428 65.5285 31.5696 177.9619 51 A 3.9625 7.7859 120.6382 55.0456 18.3227 179.5608 52 E 3.9113 8.2852 117.0788 59.7054 29.5525 179.6963 53 I 3.7789 7.5774 119.3759 64.3867 37.2844 178.1931 54 E 4.1769 8.4373 118.8553 58.4210 29.0468 179.2029 55 S 4.1167 7.7809 113.6319 61.2779 62.3308 175.5813 56 E 4.0459 7.9525 120.1165 58.9028 29.4144 178.0131 57 M 4.7603 7.6019 118.9818 57.9928 32.5636 177.3087 58 N 4.6888 8.0549 113.8634 53.6977 39.0955 175.2529 59 E 4.0979 7.0177 119.7828 56.1994 30.1743 176.0419 60 D 4.6430 8.3607 120.4993 54.3953 41.4831 175.7393 61 H 5.0875 8.7013 120.5968 53.6171 31.8656 173.7408 62 A 4.5801 8.5497 124.5693 51.9306 18.8756 176.8090 63 C 4.3589 8.5706 124.1732 58.6485 31.8259 172.4060 64 P 4.2407 0.0000 0.0000 65.1593 30.9886 177.3860 65 N 4.2685 7.5029 115.7528 54.8661 39.7537 176.5131 66 C 4.6873 7.5785 119.3436 58.1888 29.6909 174.5418 67 G 4.1232 8.4813 107.1072 44.7480 0.0000 171.8878 68 E 4.0216 7.9394 119.9508 55.7436 30.6537 176.7738 69 D 5.1720 8.0392 124.0443 52.6833 38.8453 176.4271 70 R 4.7514 7.5709 113.9382 55.7908 33.2912 176.0763 71 V 4.8751 8.1654 119.4906 62.2975 32.4508 174.8056 72 D 5.3310 9.3453 127.1845 52.3554 45.0619 175.1391 73 R 3.5331 8.3410 120.4121 55.6983 30.7562 176.1770 74 Q 4.3123 8.0646 123.1612 55.8296 30.4027 175.9145 75 G 3.6835 6.5839 103.2805 46.0943 0.0000 172.0052 76 T 3.7878 8.3694 118.7343 65.3459 67.7143 174.7067 77 G 4.3889 8.5841 116.2165 45.8131 0.0000 171.1997 78 I 4.5353 6.8579 120.9537 59.8727 38.5544 174.9875 79 W 4.8747 8.7544 126.9983 54.8556 32.8153 174.4263 80 Q 5.1540 9.1258 123.2562 55.0145 32.6447 172.7218 81 C 5.2493 9.1239 126.9680 58.5256 32.6244 174.5138 82 S 4.3427 9.0067 120.8367 60.3035 62.6407 174.4519 83 Y 4.4853 7.6215 122.9747 59.1565 37.7240 174.9457 84 C 4.2254 8.0181 112.0060 57.5555 30.5899 174.1511 85 D 4.5594 7.9925 118.7525 55.4954 38.5862 173.0006 86 Y 4.4440 7.6164 121.0225 57.7257 39.4609 174.3377 87 K 4.9603 8.5332 129.4289 55.1139 33.4872 175.2799 88 F 5.0636 9.3141 122.4661 55.4191 42.1699 173.1288 89 T 4.8909 8.6691 109.1137 60.7911 70.0687 174.7992 90 G 3.9887 8.0389 111.3773 45.7009 0.0000 171.9061 91 G 4.0699 8.3300 110.8397 44.8907 0.0000 174.8993 92 S 3.9888 8.4459 114.7607 60.8949 62.9887 175.2636 93 Y 5.0544 7.7125 114.7463 57.2295 40.3375 175.1383 94 K 4.7355 7.9422 119.1863 53.7138 34.5429 175.1116 95 P 2.9700 0.0000 0.0000 63.7239 31.8243 175.8164 96 E 4.7883 7.4775 118.2542 54.8616 33.2752 174.6963 97 T 4.5762 8.1734 113.3287 59.4373 70.9532 173.9515 98 P 4.4047 0.0000 0.0000 65.4388 31.1211 178.7459 99 G 3.8760 7.7313 104.7770 46.9751 0.0000 176.0762 100 G 3.7525 8.0373 107.7688 47.0682 0.0000 175.5516 101 K 3.9829 7.9037 118.5946 58.4608 32.7647 178.5934 102 T 4.1279 7.4658 115.0974 65.9009 67.9284 177.0252 103 V 3.7254 7.3222 120.4424 65.9607 31.2779 178.2858 104 R 3.7522 7.8965 116.6840 59.0613 30.0149 178.4554 105 R 4.0816 7.4471 116.1838 58.5432 30.1955 176.8123 106 S 4.3751 7.4520 116.0992 58.2615 63.1557 173.6369 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 34 S 8.33 4.43 0.00 3.83 3.93 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 35 S 7.54 4.31 0.00 4.00 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 36 G 7.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.64 3.95 0.00 1.85 1.95 0.00 2.76 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.00 38 F 7.97 5.06 0.00 3.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.36 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 0.00 0.00 0.00 40 A 8.62 4.40 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 41 R 7.24 4.06 0.00 0.97 0.66 0.00 2.78 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 42 Y 8.43 3.93 0.00 3.04 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 43 G 8.12 4.03 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 0.00 0.00 0.00 44 R 8.00 3.76 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.28 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 45 V 7.82 3.58 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 1.07 0.00 0.00 0.94 0.00 0.00 46 S 8.07 4.11 0.00 3.93 3.82 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 0.00 0.00 0.00 47 R 7.94 4.57 0.00 2.39 2.44 0.00 2.95 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.73 0.00 48 R 8.26 4.02 0.00 2.03 1.99 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 49 R 8.00 4.01 0.00 2.06 1.94 0.00 3.17 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 50 V 7.53 3.64 2.25 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 1.16 0.00 0.00 1.03 0.00 0.00 51 A 7.79 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 3.91 0.00 2.04 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 2.34 2.50 0.00 53 I 7.58 3.78 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.59 0.00 0.00 54 E 8.44 4.18 0.00 2.06 1.97 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 2.28 2.38 0.00 55 S 7.78 4.12 0.00 4.09 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 56 E 7.95 4.05 0.00 2.20 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 2.39 2.35 0.00 57 M 7.60 4.76 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.58 0.00 58 N 8.05 4.69 0.00 2.86 2.88 0.00 0.00 7.09 7.37 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 59 E 7.02 4.10 0.00 2.15 1.76 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 2.34 2.52 0.00 60 D 8.36 4.64 0.00 2.54 2.61 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 0.00 0.00 0.00 0.00 61 H 8.70 5.09 0.00 3.12 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.55 4.58 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 63 C 8.57 4.36 0.00 3.15 2.90 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 64 P 0.00 4.24 0.00 1.85 1.91 0.00 3.42 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.82 0.00 65 N 7.50 4.27 0.00 2.41 2.63 0.00 0.00 6.87 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 66 C 7.58 4.69 0.00 3.19 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 67 G 8.48 4.12 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 0.00 0.00 0.00 68 E 7.94 4.02 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.18 0.00 69 D 8.04 5.17 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 4.75 0.00 1.79 1.96 0.00 2.98 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 71 V 8.17 4.88 2.34 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 1.20 0.00 0.00 1.25 0.00 0.00 72 D 9.35 5.33 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.34 3.53 0.00 0.98 1.41 0.00 2.95 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 74 Q 8.06 4.31 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 75 G 6.58 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 76 T 8.37 3.79 4.15 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 1.08 0.00 0.00 77 G 8.58 4.39 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 0.00 78 I 6.86 4.54 1.63 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.76 0.00 0.00 79 W 8.75 4.87 0.00 1.78 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 80 Q 9.13 5.15 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 81 C 9.12 5.25 0.00 3.37 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 82 S 9.01 4.34 0.00 4.12 4.05 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 0.00 0.00 0.00 83 Y 7.62 4.49 0.00 2.89 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 84 C 8.02 4.23 0.00 3.06 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 85 D 7.99 4.56 0.00 2.86 2.87 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 86 Y 7.62 4.44 0.00 3.11 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 87 K 8.53 4.96 0.00 1.79 1.65 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 88 F 9.31 5.06 0.00 2.97 2.31 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 89 T 8.67 4.89 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 1.22 0.00 0.00 90 G 8.04 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 0.00 0.00 0.00 91 G 8.33 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 92 S 8.45 3.99 0.00 3.07 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 93 Y 7.71 5.05 0.00 3.17 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 94 K 7.94 4.74 0.00 1.75 1.66 0.00 1.67 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.47 7.81 95 P 0.00 2.97 0.00 1.77 0.69 0.00 3.11 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.14 0.00 96 E 7.48 4.79 0.00 1.82 1.79 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 2.19 2.25 0.00 97 T 8.17 4.58 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 98 P 0.00 4.40 0.00 2.05 2.16 0.00 3.68 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 2.04 2.16 0.00 99 G 7.73 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 0.00 100 G 8.04 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 0.00 0.00 0.00 101 K 7.90 3.98 0.00 1.73 1.87 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.68 7.81 102 T 7.47 4.13 4.38 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 1.21 0.00 0.00 103 V 7.32 3.73 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 1.04 0.00 0.00 1.01 0.00 0.00 104 R 7.90 3.75 0.00 1.81 1.97 0.00 3.27 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 105 R 7.45 4.08 0.00 2.06 2.01 0.00 3.12 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 106 S 7.45 4.38 0.00 3.81 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