NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2480 8.1701 117.3740 63.1698 69.8976 173.5086 3 A 4.0622 8.3476 127.4423 51.5729 19.1798 175.3395 4 L 4.5202 8.4867 121.5063 53.1501 44.1886 175.2945 5 A 4.2074 8.2384 125.5061 50.9931 19.4137 177.1649 6 K 3.9390 8.4402 122.0271 55.8923 31.9800 175.2336 7 P 4.5690 0.0000 0.0000 61.5087 32.5368 175.5368 8 Q 4.1100 8.3879 120.1459 56.4182 29.2441 175.3309 9 M 4.6566 8.6320 122.7372 54.8765 34.1115 175.6599 10 R 4.6138 7.7887 117.1384 55.0671 33.1112 175.2816 11 G 4.0403 8.5956 106.7323 46.7168 0.0000 176.1418 12 L 3.9915 7.9381 121.0074 57.1877 41.7495 178.6037 13 L 3.9244 7.8597 119.7150 58.1531 42.1668 178.7188 14 A 4.0252 7.9609 120.2614 55.1561 18.3461 179.6495 15 R 3.8851 8.2014 116.7405 59.3581 30.1347 179.2636 16 R 3.9752 8.0186 118.5137 59.2918 30.0814 178.3044 17 L 4.0070 8.1649 120.2137 58.2806 42.2131 179.1515 18 R 3.9295 8.2417 118.0930 59.1897 30.0625 178.7857 19 F 4.1487 8.2525 120.3770 61.8123 39.4012 176.9074 20 H 4.1992 8.3525 115.4932 58.4321 28.5201 177.8921 21 I 3.7651 8.0022 122.1613 64.1586 36.9395 178.5604 22 V 3.6699 7.7759 119.2158 65.8677 31.3392 178.3915 23 G 3.4266 7.7668 105.2452 47.5748 0.0000 175.5603 24 A 4.0065 8.2053 123.2311 54.8591 18.3910 179.4975 25 F 4.0832 8.2809 119.2072 61.6727 39.4800 177.2413 26 M 3.9997 8.1386 118.2403 58.5083 31.7243 178.9752 27 V 3.6057 7.7858 118.3136 66.0134 31.6680 178.2953 28 S 4.1518 8.0624 115.0403 61.4042 62.5845 176.5873 29 L 3.9217 7.7313 121.8266 57.7450 41.2752 179.8866 30 G 3.5877 8.1656 105.6476 47.6941 0.0000 175.5856 31 F 4.2491 8.7560 123.3741 60.8520 39.4760 176.8916 32 A 3.9050 8.6868 120.7852 55.6997 17.9895 179.6189 33 T 3.8271 7.8230 112.6181 66.7258 68.8361 176.2757 34 F 4.3441 8.4623 122.5682 61.5188 39.4299 176.5387 35 Y 3.4794 8.3414 119.3196 60.2086 38.4342 178.4761 36 K 4.6053 8.4078 118.6677 55.7479 32.4819 177.1023 37 F 4.8584 8.5229 121.3449 59.6328 46.9327 175.7235 38 A 3.2824 7.9144 121.4333 53.3931 18.7186 177.3538 39 V 3.7969 6.9284 112.7998 63.7792 33.4033 177.0768 40 A 3.9055 7.4504 120.7535 55.3312 18.2496 179.2270 41 E 3.8753 7.9278 115.8789 59.0833 29.5410 179.3284 42 K 3.6606 7.2749 119.3801 59.4942 32.1964 178.6816 43 R 3.9314 7.8304 118.6746 59.4875 29.9839 178.5522 44 K 4.0001 7.9513 118.1660 59.3250 31.9539 179.3069 45 K 3.9252 8.3316 119.7562 59.3299 32.1110 178.4836 46 A 4.0199 8.2090 121.3417 55.7085 18.3049 179.3413 47 Y 3.8169 8.2645 114.8027 60.9740 37.8275 178.3854 48 A 4.1704 8.4231 121.8858 55.3516 18.2962 179.4797 49 D 4.3243 8.7086 117.1522 57.3686 40.9853 178.4538 50 F 4.0096 8.0893 119.9813 61.4818 39.3757 176.3246 51 Y 4.5047 8.2242 114.4791 58.9919 37.6541 177.4020 52 R 4.0816 7.6215 120.3913 58.9425 30.3593 178.1485 53 N 5.0330 7.7939 113.9045 52.7749 39.5912 174.1642 54 Y 4.0475 7.6447 119.2103 57.3803 39.5930 174.9768 55 D 4.5080 7.6800 125.9511 52.0498 42.7940 176.4665 56 S 3.8173 7.8966 123.5005 61.4979 63.1186 176.2109 57 M 4.1365 7.8800 121.8267 57.9971 31.8340 178.4220 58 K 3.9698 8.9664 120.1909 59.4236 32.3421 178.3013 59 D 4.3686 8.1260 118.3709 57.4141 41.1471 178.0985 60 F 4.3687 8.5094 121.1943 61.2546 39.3222 176.6127 61 E 3.7020 8.7915 119.4408 59.2315 29.3790 178.7132 62 E 3.8928 8.2557 118.4913 59.7815 29.4775 179.3009 63 M 3.9249 7.9468 118.6913 58.1237 31.9083 178.9021 64 R 3.8551 8.0233 119.2904 59.4403 30.0611 178.7553 65 K 3.9906 7.9602 116.9521 59.2356 32.1034 178.5443 66 A 4.1911 7.6775 119.0245 52.1683 18.4499 177.6303 67 G 3.7891 8.0883 105.8432 46.3875 0.0000 175.3057 68 I 3.7756 7.1075 114.7281 62.1612 38.1091 176.2720 69 F 4.8876 7.4364 119.3199 56.9729 39.8185 175.1586 70 Q 4.3019 8.9386 124.5138 57.6450 29.4244 176.5801 71 S 4.5209 8.1675 109.5578 58.0463 64.1066 173.5846 72 A 4.6017 7.9563 123.1845 50.6276 20.7949 175.8517 73 K 4.2572 8.7835 120.9448 57.1153 32.3796 176.8299 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 T 8.17 4.25 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 3 A 8.35 4.06 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 4 L 8.49 4.52 0.00 1.64 1.59 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.24 4.21 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 6 K 8.44 3.94 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.57 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.39 4.11 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.63 4.66 0.00 2.00 2.04 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 2.71 2.50 0.00 10 R 7.79 4.61 0.00 1.76 1.81 0.00 3.36 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 11 G 8.60 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 12 L 7.94 3.99 0.00 1.70 1.72 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.86 3.92 0.00 1.76 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.96 4.03 1.33 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 0.00 0.00 15 R 8.20 3.89 0.00 2.14 1.99 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 16 R 8.02 3.98 0.00 2.02 2.18 0.00 3.14 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 17 L 8.16 4.01 0.00 1.83 1.84 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.24 3.93 0.00 2.11 2.02 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 19 F 8.25 4.15 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.35 4.20 0.00 3.35 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.00 3.77 1.92 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 1.64 0.92 0.91 0.00 0.00 22 V 7.78 3.67 2.18 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 0.95 0.00 0.00 0.90 0.00 0.00 23 G 7.77 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.01 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 25 F 8.28 4.08 0.00 3.16 3.23 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 26 M 8.14 4.00 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.04 0.00 27 V 7.79 3.61 2.18 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 1.07 0.00 0.00 0.96 0.00 0.00 28 S 8.06 4.15 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 3.92 0.00 1.73 1.60 0.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.17 3.59 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 0.00 0.00 0.00 31 F 8.76 4.25 0.00 3.11 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 32 A 8.69 3.91 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 33 T 7.82 3.83 4.47 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 1.18 0.00 0.00 34 F 8.46 4.34 0.00 3.12 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 35 Y 8.34 3.48 0.00 2.45 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 36 K 8.41 4.61 0.00 1.80 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.64 7.81 37 F 8.52 4.86 0.00 2.87 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.91 3.28 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.93 3.80 0.93 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 0.65 0.00 0.00 0.24 0.00 0.00 40 A 7.45 3.91 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 41 E 7.93 3.88 0.00 2.03 1.95 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 2.57 2.36 0.00 42 K 7.27 3.66 0.00 1.62 1.76 0.00 1.57 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.24 7.81 43 R 7.83 3.93 0.00 2.06 2.06 0.00 3.26 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 44 K 7.95 4.00 0.00 2.00 1.86 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 45 K 8.33 3.93 0.00 1.88 1.91 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.46 7.81 46 A 8.21 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 3.82 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.71 4.32 0.00 2.82 2.75 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 50 F 8.09 4.01 0.00 2.80 2.77 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 51 Y 8.22 4.50 0.00 3.28 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 52 R 7.62 4.08 0.00 2.00 2.00 0.00 3.22 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 N 7.79 5.03 0.00 2.69 2.75 0.00 0.00 6.84 7.46 0.00 0.00 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 Y 7.64 4.05 0.00 2.84 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 55 D 7.68 4.51 0.00 2.55 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 3.82 0.00 4.14 4.16 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 57 M 7.88 4.14 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 8.97 3.97 0.00 1.78 1.90 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.42 7.81 59 D 8.13 4.37 0.00 2.95 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 60 F 8.51 4.37 0.00 3.19 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 61 E 8.79 3.70 0.00 2.30 1.91 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 2.33 2.39 0.00 62 E 8.26 3.89 0.00 2.22 1.95 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 2.31 2.60 0.00 63 M 7.95 3.92 0.00 1.70 2.31 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.48 0.00 64 R 8.02 3.86 0.00 1.10 1.71 0.00 3.35 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 65 K 7.96 3.99 0.00 1.82 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 A 7.68 4.19 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 67 G 8.09 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 0.00 0.00 0.00 68 I 7.11 3.78 1.55 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.71 0.00 0.00 69 F 7.44 4.89 0.00 3.41 3.04 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 70 Q 8.94 4.30 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 71 S 8.17 4.52 0.00 4.01 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 72 A 7.96 4.60 1.47 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 0.00 0.00 73 K 8.78 4.26 0.00 1.79 1.75 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81