NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9924 8.0431 120.3139 60.3659 32.4407 175.6611 4 G 3.7854 9.3612 101.8666 45.6074 0.0000 171.9501 5 L 4.0094 7.7755 120.0152 53.4038 43.2618 173.8147 6 P 4.4487 0.0000 0.0000 63.3337 32.2695 174.8055 7 H 5.0038 8.1805 117.1268 54.2632 31.7664 173.0976 8 G 4.0378 9.2578 108.1189 45.8452 0.0000 172.4905 9 F 5.2470 8.5805 120.6423 56.8722 42.1864 173.7997 10 C 5.1857 8.4495 122.6538 54.9025 43.7401 173.7898 11 I 4.0244 8.6049 121.9822 61.7466 37.8697 175.6821 12 Q 4.7935 8.4065 124.8073 54.7570 31.2007 172.9350 13 C 4.9156 9.1409 117.7573 54.5542 44.0769 172.6115 14 N 5.3064 8.5508 116.8728 51.9574 39.8869 176.5249 15 R 3.8104 8.6136 123.5354 59.1172 30.0734 177.7331 16 K 4.3229 7.6725 113.4355 56.3498 32.6603 176.5251 17 T 4.2126 7.0662 110.1136 61.1937 69.9508 174.3880 18 W 4.9740 8.4675 119.5873 56.6048 29.2348 176.9107 19 S 4.3196 7.6046 112.8904 58.0797 63.1997 173.4239 20 N 4.6584 8.5260 120.2099 52.8876 38.5766 176.0939 21 C 4.5448 8.7776 122.7625 58.0656 40.6796 174.6344 22 S 4.1952 8.2483 115.4941 59.1631 62.9493 173.8232 23 I 4.4463 7.0239 121.4341 59.3204 38.6924 176.1149 24 G 3.6152 8.5742 113.5829 46.2368 0.0000 171.9905 25 H 4.7956 7.8568 115.7209 53.5087 33.8210 173.5145 26 R 4.4870 8.6131 119.1272 57.1841 30.4840 177.5027 27 C 4.7438 9.1119 121.0628 55.4295 41.4329 173.4697 28 L 4.2166 8.2747 119.4826 54.0386 42.5778 175.4142 29 P 4.3057 0.0000 0.0000 64.8820 31.1932 176.6522 30 Y 3.6445 9.0557 120.3264 58.4536 36.7354 168.8609 31 H 4.7408 8.1762 118.4321 55.2784 27.5249 175.2985 32 M 4.5639 8.4825 122.0675 55.1078 33.2609 176.0798 33 T 4.8396 7.6146 117.1257 62.0191 71.0967 173.3095 34 C 5.3178 9.1746 124.0077 56.4955 38.0209 172.2049 35 Y 5.6370 8.4916 118.5480 56.0281 41.8463 173.6504 36 T 4.8967 9.0200 110.1826 59.8335 72.1782 172.2173 37 L 5.3734 9.4192 127.4829 53.6295 44.6487 174.3106 38 Y 5.3771 9.4646 124.3343 56.2124 40.9741 174.9383 39 K 5.0073 8.8585 121.7478 54.7429 36.8539 173.7146 40 P 4.9474 0.0000 0.0000 62.7234 31.9477 174.8298 41 D 4.7748 8.5569 118.5698 54.0154 44.9018 175.7319 42 E 4.4666 7.0742 119.0521 55.1208 32.9941 176.1541 43 N 4.0754 8.2339 123.5064 55.6612 39.5064 176.3395 44 G 3.9240 8.4579 104.3343 44.9193 0.0000 172.4958 45 E 4.4849 7.6112 120.4571 54.8828 31.5386 175.1925 46 M 4.5291 8.4956 123.8010 56.1800 33.4631 175.2593 47 K 4.8376 8.6805 123.2626 54.5927 36.3055 175.0049 48 W 4.4093 9.0917 124.4783 56.8981 28.2793 175.5469 49 A 4.3098 9.7569 122.4491 51.8903 21.6658 176.0192 50 V 4.9621 7.9133 113.9540 61.3549 35.5009 174.3150 51 K 4.5491 8.9938 126.3501 54.9545 35.8371 176.0527 52 G 4.1850 6.4722 108.1579 46.1445 0.0000 170.9135 53 C 6.3000 8.8672 117.1109 54.5738 40.6678 172.9144 54 A 4.2913 8.0213 118.1505 51.6735 21.3171 177.8204 55 R 4.1045 8.4601 119.6555 58.3852 30.5012 176.9809 56 M 4.7239 7.5161 115.1117 52.8056 34.8662 175.8241 57 C 4.0336 8.8712 122.0196 56.3456 43.9987 171.8186 58 P 4.1708 0.0000 0.0000 63.1881 31.3212 175.9001 59 T 4.1482 8.2898 119.6424 62.4673 68.8602 174.4330 60 A 4.1707 8.4119 130.5198 51.3940 19.2805 177.2501 61 K 4.3558 8.3454 121.7368 55.6854 34.1514 176.2847 62 S 4.2269 8.2768 115.2299 60.1516 62.9745 175.1390 63 G 3.9997 9.0891 113.0611 44.9442 0.0000 172.8152 64 E 4.9586 7.4201 117.6743 54.7729 32.3386 175.3851 65 R 4.7782 9.0231 120.4550 54.7529 34.0042 173.8967 66 V 5.0903 8.5088 123.7709 60.9847 34.8401 174.3113 67 K 4.6472 9.2186 128.3625 55.0623 34.5637 174.3841 68 C 5.6747 8.8242 124.6238 56.0820 42.6044 171.5190 69 C 4.9952 8.9819 113.9977 55.1922 45.1108 172.6932 70 T 4.9140 8.7775 115.7548 62.0193 71.3141 172.9017 71 G 3.9178 9.2080 110.6065 43.0166 0.0000 173.0863 72 A 4.5416 8.6076 126.3100 53.7171 18.8133 177.5106 73 S 3.8078 9.6392 120.1432 59.4377 61.2731 172.3965 74 C 4.3794 8.3003 115.9685 57.7158 41.5579 173.8242 75 N 4.6572 7.9054 116.6668 52.4434 37.1703 175.9367 76 S 3.8559 7.8989 117.9940 62.0760 63.1490 174.7789 *77 D 4.2577 7.8354 123.3976 53.2205 40.2393 178.9597 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 3 V 8.04 3.99 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 0.90 0.00 0.00 0.93 0.00 0.00 4 G 9.36 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 5 L 7.78 4.01 0.00 1.54 1.34 0.99 1.13 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 6 P 0.00 4.45 0.00 2.02 2.12 0.00 3.37 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.97 0.00 7 H 8.18 5.00 0.00 3.30 3.20 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.26 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 9 F 8.58 5.25 0.00 3.05 2.89 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 10 C 8.45 5.19 0.00 2.76 2.92 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 11 I 8.60 4.02 1.76 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 1.23 1.16 0.87 0.00 0.00 12 Q 8.41 4.79 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.41 0.00 13 C 9.14 4.92 0.00 3.03 3.18 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 14 N 8.55 5.31 0.00 2.67 2.74 0.00 0.00 6.45 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 15 R 8.61 3.81 0.00 0.67 1.33 0.00 2.21 0.00 0.00 2.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 0.00 16 K 7.67 4.32 0.00 1.70 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.25 7.81 17 T 7.07 4.21 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 1.18 0.00 0.00 18 W 8.47 4.97 0.00 3.34 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 19 S 7.60 4.32 0.00 4.07 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 20 N 8.53 4.66 0.00 2.77 2.78 0.00 0.00 6.93 7.65 0.00 0.00 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 C 8.78 4.54 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 22 S 8.25 4.20 0.00 4.04 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 23 I 7.02 4.45 1.83 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 1.16 0.58 0.85 0.00 0.00 24 G 8.57 3.62 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 0.00 0.00 0.00 25 H 7.86 4.80 0.00 2.88 3.03 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.61 4.49 0.00 1.68 1.78 0.00 3.12 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 27 C 9.11 4.74 0.00 3.10 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 28 L 8.27 4.22 0.00 1.40 1.24 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.31 0.00 2.08 1.82 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 30 Y 9.06 3.64 0.00 3.35 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 31 H 8.18 4.74 0.00 3.39 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.48 4.56 0.00 2.02 2.13 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 2.57 2.76 0.00 33 T 7.61 4.84 4.45 0.00 0.00 0.00 0.00 0.00 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 34 C 9.17 5.32 0.00 2.87 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 35 Y 8.49 5.64 0.00 3.00 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 36 T 9.02 4.90 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 1.07 0.00 0.00 37 L 9.42 5.37 0.00 2.02 1.75 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.46 5.38 0.00 2.93 2.89 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 39 K 8.86 5.01 0.00 1.83 1.91 0.00 1.32 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.44 7.81 40 P 0.00 4.95 0.00 1.97 2.07 0.00 3.76 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 41 D 8.56 4.77 0.00 2.70 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 42 E 7.07 4.47 0.00 1.91 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 2.20 0.00 43 N 8.23 4.08 0.00 2.68 2.90 0.00 0.00 7.10 7.98 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 44 G 8.46 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 0.00 0.00 0.00 45 E 7.61 4.48 0.00 2.24 1.83 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 2.35 2.39 0.00 46 M 8.50 4.53 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.67 0.00 47 K 8.68 4.84 0.00 1.87 1.50 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.65 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.29 1.39 7.81 48 W 9.09 4.41 0.00 2.86 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 49 A 9.76 4.31 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 50 V 7.91 4.96 2.26 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 1.13 0.00 0.00 1.02 0.00 0.00 51 K 8.99 4.55 0.00 1.50 1.45 0.00 1.06 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.02 7.81 52 G 6.47 4.18 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 0.00 53 C 8.87 6.30 0.00 2.97 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 54 A 8.02 4.29 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 55 R 8.46 4.10 0.00 1.77 1.92 0.00 3.01 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 56 M 7.52 4.72 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 57 C 8.87 4.03 0.00 2.93 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 58 P 0.00 4.17 0.00 1.62 1.64 0.00 3.46 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.73 0.00 59 T 8.29 4.15 4.21 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 1.20 0.00 0.00 60 A 8.41 4.17 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 61 K 8.35 4.36 0.00 1.95 1.99 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.47 7.81 62 S 8.28 4.23 0.00 3.89 3.85 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 0.00 0.00 0.00 63 G 9.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.42 4.96 0.00 1.99 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 2.30 2.25 0.00 65 R 9.02 4.78 0.00 1.84 1.77 0.00 2.92 0.00 0.00 2.75 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 66 V 8.51 5.09 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 0.91 0.00 0.00 0.96 0.00 0.00 67 K 9.22 4.65 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.44 7.81 68 C 8.82 5.67 0.00 2.93 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 69 C 8.98 5.00 0.00 2.96 3.16 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 70 T 8.78 4.91 4.26 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 1.23 0.00 0.00 71 G 9.21 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 0.00 0.00 0.00 72 A 8.61 4.54 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 73 S 9.64 3.81 0.00 4.05 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 74 C 8.30 4.38 0.00 3.09 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 75 N 7.91 4.66 0.00 2.67 2.85 0.00 0.00 6.06 7.64 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 76 S 7.90 3.86 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 D 7.84 4.26 0.00 2.42 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.