NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1337 8.0549 120.3954 63.0233 32.1452 175.0951 3 D 4.8171 8.2219 134.4336 52.9743 42.0237 172.9001 4 P 4.6502 0.0000 0.0000 64.7360 32.4635 180.3522 5 V 3.2700 8.1475 115.9659 64.6305 31.7326 177.0788 6 G 3.8098 8.1188 102.5588 47.7497 0.0000 174.9413 7 F 4.5342 11.3800 122.2550 61.1595 39.4473 176.9332 8 A 3.6855 8.0151 119.6862 55.3043 18.4308 179.2090 9 E 3.8597 8.2764 116.1684 58.7944 29.4554 179.0629 10 A 4.2582 8.0043 121.0017 53.9418 19.2182 179.0986 11 W 3.9248 7.7683 126.4722 60.6394 30.7272 178.1138 12 K 4.2875 9.1742 119.2706 58.8569 31.5917 179.0521 13 A 4.0567 7.3793 119.2289 55.3019 18.4912 179.2062 14 Q 3.7377 8.1708 117.0422 57.1780 29.0418 176.5572 15 F 4.7818 8.2024 119.0067 55.0159 42.1109 173.5769 16 P 4.5818 0.0000 0.0000 64.5926 32.3975 177.0337 17 D 4.5557 8.2338 115.6635 55.5003 40.8904 176.2218 18 S 4.9253 8.3497 115.6418 56.6893 66.2502 173.2149 19 E 4.5739 8.7189 123.7859 54.1516 30.6644 174.6127 20 P 2.9700 0.0000 0.0000 61.2146 31.9173 174.1416 21 P 4.2150 0.0000 0.0000 62.1575 31.8544 176.2594 22 R 4.2115 8.1814 122.3486 54.6843 31.4021 175.9137 *24 E 4.0686 8.5200 120.8987 56.5475 30.1961 176.0813 25 L 4.7201 8.1275 124.3082 52.9980 41.8675 176.7218 26 R 4.3977 7.9938 114.3601 55.5102 30.9657 176.7105 27 S 4.5226 7.1783 112.7692 56.6891 66.2639 176.9064 28 V 3.6689 8.0410 120.8173 66.0602 30.9741 178.0398 29 G 3.6049 7.9761 105.1195 47.4002 0.0000 175.3382 30 D 4.5151 7.6889 121.0123 57.0680 40.6984 179.0888 31 I 3.6941 7.5331 120.5230 64.3836 36.6551 178.2699 32 E 3.9686 8.2319 119.4109 59.3949 29.2676 179.4519 33 Q 3.9979 8.3467 118.2663 59.1750 28.7838 178.7367 34 E 3.9941 8.1298 119.5025 59.2330 29.4054 179.2707 35 L 3.9180 8.2117 120.7656 58.0725 42.1848 178.5080 36 E 3.9100 8.5356 119.5371 59.4434 29.5646 178.9640 37 R 3.8869 8.6011 118.0074 59.3173 30.1468 178.5644 38 A 3.9898 8.3390 120.7364 55.1721 18.4147 179.4180 39 K 3.7716 8.3177 116.0740 59.7694 32.3490 179.1950 40 A 4.0104 7.9564 120.5084 55.4618 18.2714 179.9611 41 S 4.0990 8.2168 113.5478 61.6689 62.8917 176.7670 42 I 3.7082 8.2385 123.0060 64.4747 36.6817 178.4064 43 R 3.8688 8.0868 119.3006 59.3824 29.9488 178.5901 44 R 3.8974 7.9132 118.3067 59.3018 30.1316 178.2158 45 L 3.9567 8.2602 119.1766 58.1857 41.7441 179.3795 46 E 4.0986 8.3149 118.2163 59.6176 29.4462 179.3989 47 Q 3.9955 7.8857 119.5457 59.0205 29.0689 178.1589 48 E 3.9854 8.1522 119.7999 59.1733 29.5674 179.2859 49 V 3.5555 8.2764 118.5752 66.1476 31.5836 177.4418 50 N 4.2887 8.1482 116.1622 56.8777 38.4117 177.3436 51 Q 4.0620 7.9825 118.4544 59.0458 28.5399 178.8159 52 E 4.0413 8.0156 118.8334 59.4790 29.5888 179.2669 53 R 4.1068 8.5445 117.6137 58.9786 30.3809 178.7103 54 F 4.3937 8.5023 120.9787 60.9667 39.6997 179.4014 55 R 4.2252 8.2756 117.2884 55.9876 29.2228 178.7079 *57 I 3.9764 7.7587 121.2493 62.8150 39.2589 177.4154 58 Y 4.0191 7.6440 120.5207 60.7491 38.4429 177.8770 59 L 3.6897 8.5796 119.9525 58.1349 41.7209 179.6386 60 Q 3.9000 7.9044 118.5747 59.1539 28.7905 178.2237 61 T 3.8696 7.3326 115.9229 66.3215 68.8509 176.4550 62 L 3.8824 7.8047 121.1661 58.4602 41.5954 178.6302 63 L 3.5642 8.3844 117.8607 58.4139 41.6655 178.8325 64 A 3.8591 7.6538 126.4050 54.2902 19.0013 178.3407 65 K 4.4495 7.9349 113.1060 57.0072 33.8072 176.8194 66 E 4.7489 8.3432 118.6422 55.7314 30.7106 175.8686 67 K 4.1593 7.9498 123.9831 56.7701 33.2517 176.2331 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 V 8.05 4.13 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 1.04 0.00 0.00 0.95 0.00 0.00 3 D 8.22 4.82 0.00 2.80 2.51 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 4 P 0.00 4.65 0.00 2.22 1.68 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 5 V 8.15 3.27 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 0.79 0.00 0.00 0.97 0.00 0.00 6 G 8.12 3.81 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 0.00 0.00 0.00 7 F 11.38 4.53 0.00 3.13 3.27 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 8 A 8.02 3.69 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 9 E 8.28 3.86 0.00 2.07 2.04 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 2.35 2.56 0.00 10 A 8.00 4.26 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 11 W 7.77 3.92 0.00 3.07 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 12 K 9.17 4.29 0.00 1.91 1.93 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.54 7.81 13 A 7.38 4.06 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 14 Q 8.17 3.74 0.00 1.74 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 1.53 1.98 0.00 15 F 8.20 4.78 0.00 2.44 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 16 P 0.00 4.58 0.00 2.23 2.29 0.00 3.74 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 2.02 1.96 0.00 17 D 8.23 4.56 0.00 2.73 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 S 8.35 4.93 0.00 4.33 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 0.00 19 E 8.72 4.57 0.00 1.93 1.81 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 2.29 2.27 0.00 20 P 0.00 2.97 0.00 1.58 0.99 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 21 P 0.00 4.22 0.00 1.92 1.84 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 22 R 8.18 4.21 0.00 1.74 1.81 0.00 3.19 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 *24 E 8.52 4.07 0.00 1.96 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 2.19 2.27 0.00 25 L 8.13 4.72 0.00 1.53 1.52 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.99 4.40 0.00 1.84 1.93 0.00 3.19 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 27 S 7.18 4.52 0.00 3.97 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 28 V 8.04 3.67 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 1.06 0.00 0.00 0.92 0.00 0.00 29 G 7.98 3.60 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 0.00 0.00 0.00 30 D 7.69 4.52 0.00 2.88 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 31 I 7.53 3.69 2.00 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 1.48 0.86 0.87 0.00 0.00 32 E 8.23 3.97 0.00 2.14 1.99 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 2.32 2.68 0.00 33 Q 8.35 4.00 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.73 0.00 34 E 8.13 3.99 0.00 2.11 1.98 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 2.55 2.43 0.00 35 L 8.21 3.92 0.00 1.85 1.87 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.54 3.91 0.00 2.15 2.16 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 2.31 2.36 0.00 37 R 8.60 3.89 0.00 2.04 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 38 A 8.34 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.77 0.00 1.92 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.64 7.81 40 A 7.96 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.10 0.00 4.02 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 42 I 8.24 3.71 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.93 0.00 0.00 43 R 8.09 3.87 0.00 2.07 2.02 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 44 R 7.91 3.90 0.00 2.00 2.03 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 45 L 8.26 3.96 0.00 1.98 1.72 0.93 0.84 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 46 E 8.31 4.10 0.00 1.98 2.02 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 2.59 2.48 0.00 47 Q 7.89 4.00 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 48 E 8.15 3.99 0.00 2.27 1.99 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 2.33 2.46 0.00 49 V 8.28 3.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 50 N 8.15 4.29 0.00 3.06 2.89 0.00 0.00 7.12 7.32 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 51 Q 7.98 4.06 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.76 0.00 52 E 8.02 4.04 0.00 2.19 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 2.54 2.52 0.00 53 R 8.54 4.11 0.00 1.99 2.06 0.00 3.20 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 54 F 8.50 4.39 0.00 3.22 3.31 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 0.00 0.00 0.00 55 R 8.28 4.23 0.00 2.16 2.25 0.00 2.91 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 *57 I 7.76 3.98 1.88 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 1.50 1.34 0.86 0.00 0.00 58 Y 7.64 4.02 0.00 2.64 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 59 L 8.58 3.69 0.00 1.68 1.67 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.90 3.90 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 61 T 7.33 3.87 4.23 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 1.16 0.00 0.00 62 L 7.80 3.88 0.00 1.49 1.49 0.40 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.38 3.56 0.00 1.79 1.68 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.65 3.86 1.31 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 0.00 0.00 0.00 0.00 0.00 65 K 7.93 4.45 0.00 1.83 1.88 0.00 1.52 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.34 7.81 66 E 8.34 4.75 0.00 1.86 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 2.20 2.26 0.00 67 K 7.95 4.16 0.00 1.64 1.60 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.