NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2128 8.3001 120.3265 53.4387 34.1443 175.8945 2 A 3.5802 7.8154 121.9420 50.0013 19.5083 174.4850 3 N 3.9960 9.6292 127.1952 52.8984 42.1825 174.6148 4 A 3.7151 9.4399 114.7639 53.0736 16.3588 178.5949 5 L 4.3526 7.4190 117.9334 54.0742 42.3739 178.1189 6 A 4.2706 7.7029 120.4549 52.5119 19.4328 177.3998 7 S 4.3765 8.2111 108.0084 58.3130 66.1444 171.3862 8 A 3.8491 8.6608 135.0000 51.7828 18.7614 176.7890 9 T 4.5224 8.2669 111.3438 59.1876 72.3037 174.3037 10 C 4.0651 8.6343 123.6971 57.1588 43.9284 174.0133 11 E 4.0237 9.3481 126.6425 56.9356 29.3732 177.0751 12 R 4.4824 7.6623 114.1997 57.9744 33.2031 175.7586 13 C 4.3308 8.0210 110.2389 57.4170 30.5497 174.8046 14 K 4.3305 7.6218 117.5335 56.5334 29.2344 175.4211 15 G 3.7055 7.3962 106.3208 46.2201 0.0000 173.1227 16 G 4.3851 8.3171 106.5124 44.3158 0.0000 172.4371 17 F 5.1391 8.5098 121.2985 54.8228 41.6844 174.8066 18 A 4.8470 8.6382 121.2058 49.1794 20.1325 175.8514 19 P 4.6892 0.0000 0.0000 63.3334 31.3599 176.4669 20 A 4.5846 7.5600 115.4317 52.6477 20.6760 176.6124 21 E 4.1715 7.8917 117.3025 57.2818 29.8508 177.2303 22 K 4.4636 7.9761 129.8639 55.7268 33.9198 175.3225 23 I 4.6231 7.7147 124.8848 59.4227 41.3621 174.0815 24 V 4.3309 8.8080 127.2048 61.1923 34.6447 173.3608 25 N 5.6002 8.8772 126.7553 52.3742 40.2458 174.2803 26 S 4.3640 8.9208 120.6069 58.8029 63.9817 171.1994 27 N 4.8038 8.4947 125.7048 51.7824 35.9154 174.7522 28 G 3.8683 7.1775 112.8165 45.3150 0.0000 171.9084 29 E 4.8591 7.5616 119.0084 54.4854 32.5193 174.8187 30 L 5.2675 8.1540 122.3940 53.7144 44.1412 175.3373 31 Y 4.9740 10.0948 120.8603 56.4585 42.4256 174.9532 32 H 4.8300 9.2714 120.4938 55.6355 29.7622 176.2868 33 E 3.8694 8.8972 119.7449 58.1334 29.3378 178.1365 34 Q 4.3560 8.1293 119.8579 57.7413 29.5255 176.4658 35 C 4.8450 10.1534 113.0611 57.3876 37.2957 174.4325 36 F 4.4609 8.0596 118.8729 56.2644 37.1331 173.8704 37 V 4.7589 7.7283 116.3440 59.2340 35.3694 175.3916 38 C 4.2456 8.2352 122.4962 59.3078 28.4639 174.8648 39 A 4.0948 9.1672 128.3174 54.7221 18.2786 178.3689 40 Q 3.7731 7.8426 113.1501 57.5390 29.8073 176.3106 41 C 4.5498 7.4911 113.0304 59.2954 28.3828 174.5232 42 F 4.1911 8.5611 116.1354 57.3094 37.5199 175.0801 43 Q 4.7472 10.7000 118.6423 55.3436 30.8231 174.8754 44 Q 4.8732 8.6456 119.5588 55.9243 29.8092 176.0871 45 F 4.2475 8.7584 125.7105 56.8108 40.6433 172.9313 46 P 4.2764 0.0000 0.0000 63.9136 31.4210 175.9428 47 E 3.6862 9.4529 120.7582 56.1981 28.1902 175.1393 48 G 4.0368 8.3490 103.8814 46.3095 0.0000 173.5925 49 L 4.3565 7.9479 120.6005 53.4801 42.2303 176.0575 50 F 4.9866 8.0214 124.5197 56.4245 42.8082 173.1036 51 Y 4.3392 8.4644 121.3802 56.1436 41.8128 173.9060 52 E 4.3036 8.2050 125.1938 54.9812 31.2217 175.2422 53 F 4.3736 9.1756 124.8947 56.4379 43.8016 174.4235 54 E 4.0226 10.3129 123.6602 57.1688 28.0421 175.4049 55 G 4.0618 8.6003 106.0032 44.6426 0.0000 173.9623 56 R 4.6691 7.9056 118.0334 54.1800 33.6404 175.0382 57 K 4.5677 8.0531 120.2423 54.7708 34.9286 174.8334 58 Y 5.5598 9.0424 121.6280 55.9793 42.6621 175.1194 59 C 4.7615 9.1090 116.8927 57.9247 30.7106 174.5574 60 E 4.0727 9.0690 119.0005 59.9164 28.5272 178.4892 61 H 4.0928 8.3836 118.5089 59.6781 29.9185 176.8055 62 D 4.1295 8.0744 119.7488 56.8348 40.7449 178.3542 63 F 3.8889 8.3140 121.4812 61.3672 38.6666 177.2379 64 Q 2.7636 8.0352 117.9208 58.4314 28.1431 178.2668 65 M 4.0657 7.0455 118.5472 58.6133 32.3215 178.0848 66 L 3.9187 7.2893 117.4967 57.8194 41.9279 179.3054 67 F 3.7346 8.0646 115.6389 58.4126 38.9651 174.8133 68 A 4.5495 8.4273 119.8945 49.7446 22.5436 174.9796 69 P 4.5363 0.0000 0.0000 63.4247 31.4551 176.8255 70 C 4.2018 8.2893 113.9531 59.6666 29.0196 173.5153 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 1 M 8.30 4.21 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 7.82 3.58 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 3 N 9.63 4.00 0.00 2.78 2.43 0.00 0.00 6.00 7.27 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 4 A 9.44 3.72 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 5 L 7.42 4.35 0.00 1.66 1.69 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.70 4.27 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 7 S 8.21 4.38 0.00 3.81 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 8 A 8.66 3.85 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.52 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 10 C 8.63 4.07 0.00 2.69 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 11 E 9.35 4.02 0.00 1.46 1.12 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 2.27 2.13 0.00 12 R 7.66 4.48 0.00 2.02 2.02 0.00 3.55 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 13 C 8.02 4.33 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.62 4.33 0.00 1.88 1.92 0.00 1.76 0.00 0.00 2.39 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.29 7.81 15 G 7.40 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 16 G 8.32 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 17 F 8.51 5.14 0.00 3.12 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 18 A 8.64 4.85 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 19 P 0.00 4.69 0.00 1.98 1.80 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 20 A 7.56 4.58 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 4.17 0.00 2.16 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 2.29 2.40 0.00 22 K 7.98 4.46 0.00 1.89 1.81 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.54 7.81 23 I 7.71 4.62 0.56 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.13 0.58 0.00 0.00 24 V 8.81 4.33 2.22 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 0.55 0.00 0.00 0.69 0.00 0.00 25 N 8.88 5.60 0.00 2.76 2.71 0.00 0.00 7.20 7.68 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 26 S 8.92 4.36 0.00 3.93 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 4.80 0.00 2.91 3.17 0.00 0.00 6.21 7.23 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 28 G 7.18 3.87 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 0.00 0.00 0.00 29 E 7.56 4.86 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 2.34 2.30 0.00 30 L 8.15 5.27 0.00 1.67 1.60 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 10.09 4.97 0.00 3.22 3.15 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 0.00 32 H 9.27 4.83 0.00 3.48 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.90 3.87 0.00 2.08 2.05 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 2.40 2.35 0.00 34 Q 8.13 4.36 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 35 C 10.15 4.85 0.00 3.61 3.53 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 36 F 8.06 4.46 0.00 3.33 3.15 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 0.00 37 V 7.73 4.76 2.35 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 0.84 0.00 0.00 1.16 0.00 0.00 38 C 8.24 4.25 0.00 3.09 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 39 A 9.17 4.09 1.09 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 0.00 0.00 40 Q 7.84 3.77 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.05 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 41 C 7.49 4.55 0.00 3.04 2.96 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 42 F 8.56 4.19 0.00 3.05 3.22 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 43 Q 10.70 4.75 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 44 Q 8.65 4.87 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.68 2.27 0.00 45 F 8.76 4.25 0.00 2.95 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 46 P 0.00 4.28 0.00 1.95 1.85 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.61 0.00 47 E 9.45 3.69 0.00 2.27 2.28 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 2.35 2.35 0.00 48 G 8.35 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 49 L 7.95 4.36 0.00 1.87 1.61 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.02 4.99 0.00 2.50 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 0.00 0.00 0.00 0.00 51 Y 8.46 4.34 0.00 3.16 2.79 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 52 E 8.20 4.30 0.00 1.38 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 1.89 2.02 0.00 53 F 9.18 4.37 0.00 3.36 3.26 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 54 E 10.31 4.02 0.00 2.46 2.24 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 2.34 2.46 0.00 55 G 8.60 4.06 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 0.00 0.00 0.00 56 R 7.91 4.67 0.00 1.44 1.59 0.00 3.53 0.00 0.00 3.60 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 57 K 8.05 4.57 0.00 1.31 0.74 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.77 1.10 7.81 58 Y 9.04 5.56 0.00 3.15 3.21 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 59 C 9.11 4.76 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.07 0.00 1.89 1.12 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 2.24 2.30 0.00 61 H 8.38 4.09 0.00 3.32 3.49 0.00 5.86 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 D 8.07 4.13 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 3.89 0.00 3.31 3.38 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 0.00 64 Q 8.04 2.76 0.00 1.80 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.49 0.00 65 M 7.05 4.07 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 66 L 7.29 3.92 0.00 1.42 1.48 0.08 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.06 3.73 0.00 2.14 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 68 A 8.43 4.55 1.05 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 69 P 0.00 4.54 0.00 2.01 2.01 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 70 C 8.29 4.20 0.00 2.99 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