NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4881 8.3349 115.3036 57.6730 63.8050 173.3904 8 D 4.6262 8.6614 127.0792 53.2964 41.9301 174.4788 9 F 5.4640 9.0019 116.7132 55.4633 42.2259 173.5005 10 V 4.6373 9.0617 111.5542 59.5316 35.7119 174.9921 11 V 4.8702 8.6101 123.6360 61.2973 34.0692 174.4105 12 I 4.8881 8.8887 128.2662 59.5594 40.5227 174.0989 13 K 4.9737 9.5155 130.0633 54.4531 34.0889 175.2392 14 A 4.4661 9.0439 130.4992 51.9452 19.3472 177.3971 15 L 4.9473 9.1269 121.6351 54.3492 42.8775 175.6599 16 E 4.6287 7.7146 115.9991 55.0587 32.4212 174.0963 17 D 4.6791 8.4585 119.1021 54.5877 41.5462 175.9966 18 G 3.8872 8.6346 106.6403 46.7515 0.0000 174.5650 19 V 4.0082 7.8443 118.8470 62.3628 33.6232 174.2180 20 N 5.2723 8.9971 122.7769 51.8700 42.0846 172.9863 21 V 4.6144 9.0093 127.3677 61.5198 33.3997 174.3064 22 I 4.8444 9.2624 130.1005 59.4998 39.9228 174.7826 23 G 4.3669 8.8375 113.6050 44.6082 0.0000 172.2385 24 L 5.4330 8.6305 124.6306 52.6586 44.1160 176.3643 25 T 4.4693 8.4300 113.6983 61.7039 69.2644 173.6609 26 R 4.9089 7.8884 123.5919 56.1221 31.5112 174.4958 27 G 3.7102 8.8391 108.8385 44.0420 0.0000 173.0612 28 A 4.0876 8.6936 120.9341 54.6382 18.5477 177.9697 29 D 4.8544 7.8053 113.6680 53.2313 42.6602 176.0314 30 T 4.7543 8.3111 118.1403 61.9472 71.1477 173.3205 31 R 4.9329 8.9631 122.5953 54.0529 33.8119 174.2283 32 F 5.0992 8.9415 115.4711 57.3173 38.2489 174.8064 33 H 4.6992 8.7525 117.1046 55.6649 29.9257 173.2480 34 H 4.9362 7.9315 117.2811 55.7162 33.2323 172.3602 35 S 5.0226 8.2100 117.0972 56.7482 65.9608 172.4807 36 E 4.6379 9.3729 126.0293 54.2016 31.4339 175.2383 37 K 4.7900 8.6664 126.3191 56.1486 33.6726 176.3691 38 L 4.9616 8.9135 122.2014 53.3434 45.8361 176.0860 39 D 5.0044 9.2414 123.3429 52.2773 43.4303 175.6073 40 K 3.8722 8.2862 120.8165 59.0195 31.9353 176.8212 41 G 3.9820 9.6272 116.4348 44.9621 0.0000 172.6133 42 E 4.4905 8.0872 119.7124 55.4453 31.3482 175.4261 43 V 4.8743 8.2970 122.1764 61.0173 34.1969 174.2594 44 L 4.7239 8.8280 129.1699 53.2952 44.7611 174.8616 45 I 4.9234 8.5259 126.7967 59.7709 38.6746 174.6713 46 A 4.7918 9.1098 129.3372 50.1056 22.1719 175.0404 47 Q 4.9931 8.5157 119.2635 54.5660 31.0684 175.3357 48 F 4.6632 8.6173 120.7332 57.4785 38.4811 175.3501 49 T 4.7726 8.8135 112.3250 59.4984 71.9616 174.1221 50 E 4.1462 8.8783 121.0635 59.0862 29.5907 177.0331 51 H 4.6665 7.7608 113.5289 55.9665 30.0892 174.1198 52 T 5.2894 8.5304 116.8775 60.8321 71.2685 174.4214 53 S 4.9902 9.0172 119.7983 58.1000 65.0050 173.2829 54 A 5.1977 7.9018 121.4219 51.1840 22.5516 175.1918 55 I 5.0545 8.6122 120.9239 59.3444 40.7502 174.7120 56 K 4.5987 9.1637 128.1236 54.5013 34.8833 174.5583 57 V 4.8118 8.4564 126.8819 61.1063 33.5260 174.4063 58 R 4.4818 8.8166 127.7463 55.9103 33.0164 175.2233 59 G 4.0451 8.8623 110.7647 43.8534 0.0000 172.0276 60 K 4.5643 9.7203 120.8102 55.0195 32.7754 176.2078 61 A 5.1769 8.7146 128.7413 50.4422 23.2455 173.9266 62 Y 4.6515 9.1428 123.2647 56.4418 40.3425 174.2907 63 I 4.9583 8.3047 128.6548 59.5729 40.2294 174.6764 64 Q 5.0679 9.0925 126.4944 54.4276 31.5270 174.9824 65 T 4.6704 8.5738 114.0134 59.6154 72.2711 174.5239 66 R 3.7641 8.5423 120.3631 60.0531 29.9596 176.9112 67 H 4.5862 7.7825 112.2750 55.8543 28.7096 173.5437 68 G 3.6737 7.6051 106.4517 44.1271 0.0000 173.4920 69 V 4.5035 7.9055 111.4870 60.6496 33.3186 176.0584 70 I 4.3721 8.2985 122.4414 60.0075 41.8080 172.9494 71 E 5.1981 8.7178 128.8058 54.7561 31.1013 175.5270 72 S 4.7742 8.9709 119.2899 57.0428 65.8330 174.4054 73 E 4.2456 8.3730 119.6803 56.7854 30.3171 175.6204 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 7 S 8.33 4.49 0.00 3.91 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 8 D 8.66 4.63 0.00 2.81 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 9 F 9.00 5.46 0.00 3.01 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 10 V 9.06 4.64 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 0.67 0.00 0.00 0.87 0.00 0.00 11 V 8.61 4.87 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 1.22 0.00 0.00 1.20 0.00 0.00 12 I 8.89 4.89 1.89 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 1.12 0.57 0.93 0.00 0.00 13 K 9.52 4.97 0.00 1.85 1.79 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 14 A 9.04 4.47 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 15 L 9.13 4.95 0.00 1.56 1.69 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.71 4.63 0.00 2.02 1.90 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 2.18 2.33 0.00 17 D 8.46 4.68 0.00 2.69 2.81 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 18 G 8.63 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 0.00 0.00 0.00 19 V 7.84 4.01 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 1.01 0.00 0.00 0.98 0.00 0.00 20 N 9.00 5.27 0.00 2.70 2.54 0.00 0.00 7.04 7.24 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 21 V 9.01 4.61 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 0.79 0.00 0.00 0.93 0.00 0.00 22 I 9.26 4.84 1.91 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 0.93 0.32 0.90 0.00 0.00 23 G 8.84 4.37 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 0.00 24 L 8.63 5.43 0.00 1.73 1.64 1.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.43 4.47 4.29 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 1.33 0.00 0.00 26 R 7.89 4.91 0.00 1.89 1.97 0.00 3.29 0.00 0.00 3.88 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 27 G 8.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.69 4.09 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 D 7.81 4.85 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.75 4.27 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 1.25 0.00 0.00 31 R 8.96 4.93 0.00 1.81 1.99 0.00 2.75 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 1.52 1.54 0.00 32 F 8.94 5.10 0.00 2.97 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 33 H 8.75 4.70 0.00 3.08 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.93 4.94 0.00 3.39 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 5.02 0.00 3.75 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.37 4.64 0.00 2.17 1.87 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 2.24 2.32 0.00 37 K 8.67 4.79 0.00 1.68 1.71 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.40 7.81 38 L 8.91 4.96 0.00 1.51 1.51 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.24 5.00 0.00 2.60 2.57 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 40 K 8.29 3.87 0.00 1.93 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.42 7.81 41 G 9.63 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 0.00 0.00 0.00 42 E 8.09 4.49 0.00 2.06 1.87 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 2.29 2.39 0.00 43 V 8.30 4.87 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 0.81 0.00 0.00 0.95 0.00 0.00 44 L 8.83 4.72 0.00 1.78 1.48 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.53 4.92 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.69 0.00 0.00 46 A 9.11 4.79 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.99 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 F 8.62 4.66 0.00 3.02 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 49 T 8.81 4.77 4.29 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 1.27 0.00 0.00 50 E 8.88 4.15 0.00 1.91 1.93 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 2.02 2.25 0.00 51 H 7.76 4.67 0.00 3.28 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.53 5.29 4.35 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 1.35 0.00 0.00 53 S 9.02 4.99 0.00 3.85 4.09 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 54 A 7.90 5.20 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 55 I 8.61 5.05 1.87 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.94 0.00 0.00 56 K 9.16 4.60 0.00 1.80 1.62 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.46 4.81 2.07 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 0.83 0.00 0.00 0.93 0.00 0.00 58 R 8.82 4.48 0.00 1.89 1.68 0.00 3.04 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 59 G 8.86 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 0.00 0.00 0.00 60 K 9.72 4.56 0.00 1.94 1.73 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.25 7.81 61 A 8.71 5.18 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 62 Y 9.14 4.65 0.00 3.11 2.83 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 63 I 8.30 4.96 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.90 0.00 0.00 64 Q 9.09 5.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 65 T 8.57 4.67 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 66 R 8.54 3.76 0.00 1.62 1.81 0.00 3.19 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 H 7.78 4.59 0.00 3.19 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.61 3.67 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 0.00 0.00 0.00 69 V 7.91 4.50 1.68 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 0.71 0.00 0.00 0.84 0.00 0.00 70 I 8.30 4.37 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.23 0.84 0.00 0.00 71 E 8.72 5.20 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 72 S 8.97 4.77 0.00 3.86 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 73 E 8.37 4.25 0.00 1.91 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 2.20 2.27 0.00