NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.8059 8.3493 120.5373 54.5563 42.2800 174.7832 2 T 4.4497 8.5592 113.9417 58.9957 70.6257 172.6067 3 T 5.1707 8.6214 110.9572 60.3645 70.0583 177.7747 4 V 3.6991 8.0947 116.5480 65.0701 32.2019 177.3692 5 S 4.5229 7.3263 117.9322 57.1049 63.6650 173.5879 6 E 4.1890 8.8299 126.5006 55.7513 30.2921 174.2912 7 P 5.1113 0.0000 0.0000 62.8172 31.9977 176.0690 8 A 4.2876 8.8455 124.3491 51.2267 19.2716 175.8674 9 P 4.3532 0.0000 0.0000 62.6006 31.9353 178.1317 10 S 4.2186 8.4904 115.2858 60.4791 63.3438 174.0822 11 C 4.4101 8.1386 115.5038 56.6591 41.9599 172.5748 12 V 4.7431 7.8426 122.3763 61.9126 32.0313 175.0721 13 T 4.5384 8.7334 118.2378 59.7546 71.7366 172.6905 14 L 4.9015 7.9734 124.9022 53.7876 43.9820 175.0232 15 Y 5.0609 8.7632 122.9741 56.3019 41.8307 174.3450 16 Q 5.0635 8.8787 124.0724 54.8224 32.2548 174.6095 17 S 4.7992 8.7815 122.6912 56.2031 65.7574 174.5317 18 W 2.7081 8.1623 116.0470 58.3155 27.7863 177.6195 19 R 3.4420 6.3630 113.1684 55.5799 30.4887 175.4700 20 Y 4.9240 7.2253 115.4524 56.1044 42.1923 174.6196 21 S 5.2105 8.7456 119.0506 57.2211 65.1603 173.3350 22 Q 5.0927 9.5088 122.9213 53.9582 32.8584 174.0350 23 A 5.0308 8.8321 124.1112 50.1601 21.8877 174.9197 24 D 5.1144 9.0734 122.7626 52.5047 43.9903 174.6409 25 N 4.8001 9.1958 127.0461 52.5250 39.4899 174.8341 26 G 4.0547 8.7713 113.3007 46.2666 0.0000 171.9909 27 C 4.7002 8.7127 118.6295 56.0042 41.0275 173.6532 28 A 4.0302 8.3752 122.8033 53.2717 18.5453 177.2864 29 E 4.7660 7.6385 112.5088 53.7558 32.5995 175.5112 30 T 4.1553 8.4571 114.7739 63.1713 68.0053 173.2782 31 V 4.6434 8.7141 119.8957 59.8337 36.3960 174.5557 32 T 5.1074 8.4060 118.4197 62.1510 71.0068 173.7464 33 V 5.2082 8.9845 119.6024 59.4143 36.3300 174.8352 34 K 5.1475 8.7474 120.3140 54.2564 36.3513 175.7631 35 V 3.6907 8.2809 122.4123 62.8253 33.1031 174.6024 36 V 4.2200 8.0117 127.7387 61.4044 33.1708 174.8470 37 Y 5.0580 8.7046 126.5982 56.7111 39.3886 176.8212 38 E 4.2321 9.1766 119.1383 59.0452 29.6934 177.5282 39 D 4.6537 7.8870 118.5597 53.0613 39.4914 177.1131 40 D 4.5717 8.3367 117.5849 55.3965 39.1422 174.0160 41 T 4.4563 8.0168 110.4066 60.9876 70.1519 173.2273 42 E 5.1127 8.3194 120.3588 54.6456 33.5164 176.3281 43 G 4.1479 8.5459 109.9630 45.3586 0.0000 173.0451 44 L 4.4333 8.5696 119.2914 54.7893 43.2013 177.0151 45 C 5.0391 8.3525 117.7083 56.4481 41.7441 173.1509 46 Y 4.8274 9.0771 120.3400 55.9559 41.4160 174.5608 47 A 4.6907 8.8017 126.2802 51.7469 19.7489 176.6284 48 V 4.3878 9.1005 122.6399 60.7733 34.3384 175.3986 49 A 4.5027 9.2628 131.2905 50.8354 19.0944 174.7240 50 P 4.3701 0.0000 0.0000 64.3166 31.6778 177.3317 51 G 3.9047 9.3017 111.1091 45.4733 0.0000 172.5229 52 Q 4.6696 7.8880 120.9783 54.0774 31.4975 174.0762 53 I 4.9132 8.2809 125.2296 59.6827 40.3959 174.5058 54 T 4.6171 8.6296 124.4690 61.8612 71.8646 173.3109 55 T 4.3999 8.3446 122.8676 63.5275 68.8729 174.7913 56 V 2.8038 8.2759 118.5357 60.1197 33.7220 175.3660 57 G 4.1122 7.1026 106.2459 46.3870 0.0000 172.6925 58 D 5.0026 9.4442 120.3949 53.5157 41.7272 176.9178 59 G 4.2673 8.4430 110.3709 44.6696 0.0000 173.9035 60 Y 4.7145 7.7498 115.9108 57.4218 38.1743 176.9185 61 I 3.8736 7.7789 120.9085 63.7196 38.5749 176.0410 62 G 3.9028 8.0695 109.7496 44.5697 0.0000 174.6162 63 S 4.0697 8.3261 113.7993 61.2019 61.6509 175.1903 64 H 4.5676 7.2566 116.1385 55.0775 29.4217 176.3891 65 G 4.0287 8.0238 108.4457 45.6876 0.0000 172.5778 66 H 4.6788 9.2154 118.4938 55.5476 29.3951 174.6419 67 A 4.4263 9.4316 127.9652 52.3880 18.8328 177.5236 68 R 4.4783 9.0661 123.8375 58.6369 30.9370 176.3029 69 Y 4.7926 7.3750 114.2576 56.1467 41.6977 172.7725 70 L 4.7232 8.4886 119.6149 53.5170 43.4907 176.0645 71 A 5.1395 8.6705 126.4130 50.6479 21.1565 176.1714 72 R 4.6427 8.6125 117.4936 55.8811 30.6932 175.7019 73 C 4.6083 8.9084 120.8573 56.4608 41.2832 173.9130 74 L 4.3285 8.3429 121.7579 54.9558 41.9177 176.3652 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 D 8.35 4.81 0.00 2.73 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 2 T 8.56 4.45 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 1.24 0.00 0.00 3 T 8.62 5.17 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 1.09 0.00 0.00 4 V 8.09 3.70 2.11 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 0.75 0.00 0.00 0.97 0.00 0.00 5 S 7.33 4.52 0.00 3.96 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 6 E 8.83 4.19 0.00 2.08 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 2.41 2.34 0.00 7 P 0.00 5.11 0.00 2.10 1.88 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 8 A 8.85 4.29 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 9 P 0.00 4.35 0.00 2.19 1.99 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 10 S 8.49 4.22 0.00 3.96 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 11 C 8.14 4.41 0.00 3.08 3.37 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 12 V 7.84 4.74 2.15 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 0.81 0.00 0.00 0.97 0.00 0.00 13 T 8.73 4.54 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 1.13 0.00 0.00 14 L 7.97 4.90 0.00 1.54 1.45 0.91 0.80 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 15 Y 8.76 5.06 0.00 3.02 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 16 Q 8.88 5.06 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 17 S 8.78 4.80 0.00 3.85 3.95 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 18 W 8.16 2.71 0.00 3.18 2.99 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 19 R 6.36 3.44 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 20 Y 7.23 4.92 0.00 2.80 2.59 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 21 S 8.75 5.21 0.00 3.77 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 22 Q 9.51 5.09 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 23 A 8.83 5.03 1.14 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 0.00 0.00 0.00 24 D 9.07 5.11 0.00 2.92 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 25 N 9.20 4.80 0.00 2.88 2.91 0.00 0.00 6.60 7.94 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 26 G 8.77 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 27 C 8.71 4.70 0.00 3.18 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 28 A 8.38 4.03 1.28 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 0.00 0.00 0.00 29 E 7.64 4.77 0.00 2.03 1.89 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 2.16 2.19 0.00 30 T 8.46 4.16 4.25 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 1.21 0.00 0.00 31 V 8.71 4.64 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 0.74 0.00 0.00 0.99 0.00 0.00 32 T 8.41 5.11 4.25 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 1.22 0.00 0.00 33 V 8.98 5.21 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 0.79 0.00 0.00 0.93 0.00 0.00 34 K 8.75 5.15 0.00 1.91 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.12 7.81 35 V 8.28 3.69 1.50 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 -0.11 0.00 0.00 0.77 0.00 0.00 36 V 8.01 4.22 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 0.76 0.00 0.00 0.29 0.00 0.00 37 Y 8.70 5.06 0.00 3.26 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 38 E 9.18 4.23 0.00 2.16 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 2.61 2.34 0.00 39 D 7.89 4.65 0.00 2.97 2.98 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 40 D 8.34 4.57 0.00 2.91 2.88 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 41 T 8.02 4.46 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 1.34 0.00 0.00 42 E 8.32 5.11 0.00 1.81 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 2.12 2.27 0.00 43 G 8.55 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 0.00 0.00 0.00 0.00 44 L 8.57 4.43 0.00 1.40 1.34 0.86 0.83 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 45 C 8.35 5.04 0.00 2.77 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 Y 9.08 4.83 0.00 2.82 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 47 A 8.80 4.69 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 48 V 9.10 4.39 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 1.01 0.00 0.00 0.99 0.00 0.00 49 A 9.26 4.50 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 50 P 0.00 4.37 0.00 2.05 2.20 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 51 G 9.30 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 52 Q 7.89 4.67 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 53 I 8.28 4.91 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.22 0.88 0.00 0.00 54 T 8.63 4.62 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 1.11 0.00 0.00 55 T 8.34 4.40 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 1.10 0.00 0.00 56 V 8.28 2.80 1.66 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 0.23 0.00 0.00 0.74 0.00 0.00 57 G 7.10 4.11 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 0.00 0.00 0.00 58 D 9.44 5.00 0.00 2.72 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 59 G 8.44 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 0.00 0.00 0.00 0.00 60 Y 7.75 4.71 0.00 2.83 3.30 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 61 I 7.78 3.87 2.22 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 1.17 0.00 0.00 62 G 8.07 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 63 S 8.33 4.07 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.26 4.57 0.00 2.24 2.79 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.02 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 66 H 9.22 4.68 0.00 3.34 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.43 4.43 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 68 R 9.07 4.48 0.00 1.90 2.19 0.00 3.45 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 69 Y 7.38 4.79 0.00 2.94 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 70 L 8.49 4.72 0.00 1.61 1.58 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.67 5.14 1.18 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 0.00 0.00 72 R 8.61 4.64 0.00 1.83 1.96 0.00 3.23 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 73 C 8.91 4.61 0.00 2.87 3.05 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 74 L 8.34 4.33 0.00 1.59 1.52 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00