NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2692 8.1133 117.2711 56.3449 30.6219 175.5914 11 T 3.6094 8.3295 112.5393 65.6633 68.2748 174.3167 12 G 3.8015 7.5242 107.6489 47.6546 0.0000 175.1899 13 R 4.0717 7.7271 116.2341 58.2660 29.7664 177.7112 14 F 5.1002 8.4995 118.5619 58.5837 39.4563 176.6354 15 G 3.8636 8.2975 108.6103 46.5120 0.0000 172.3107 16 P 4.6562 0.0000 0.0000 62.9196 31.6480 176.2796 17 R 4.1052 7.3573 117.6163 56.5589 31.6788 175.1774 18 Y 4.2187 8.0548 118.6618 57.3271 36.3200 170.2949 19 G 3.9226 8.0548 103.4862 44.3575 0.0000 172.6132 20 L 3.9426 7.8974 116.9838 57.5784 41.2112 179.6353 21 K 3.8479 8.0513 117.5219 60.2385 31.9730 178.6921 22 I 3.6758 7.9323 119.1925 64.8838 37.0731 178.3587 23 R 4.6220 7.8604 116.0751 58.2106 29.6812 178.8666 24 V 3.6445 8.1236 119.7799 65.9558 31.5353 178.0318 25 R 4.0686 8.1918 117.5665 58.5491 29.9538 179.0563 26 V 3.5970 7.4593 117.5180 65.5705 31.5203 178.0067 27 A 3.9418 8.0196 120.6115 55.1788 18.2762 179.0734 28 D 4.2821 7.9488 117.2345 57.7447 40.9622 179.2703 29 V 3.5789 7.8741 118.3364 66.2053 31.4714 177.8502 30 E 4.2336 8.2049 117.7873 58.7133 29.1572 178.9729 31 I 3.7684 8.0572 118.9773 63.8953 38.2182 177.7594 32 K 4.1899 8.1741 119.5347 59.6316 31.6831 178.6810 33 H 5.1848 8.1934 118.9256 58.5389 29.9145 176.5312 34 K 4.4308 8.2501 117.0451 55.4260 32.6402 177.2401 35 K 4.1380 7.0341 119.3261 55.7473 32.6177 177.0531 36 K 4.0441 8.4080 121.4697 56.9845 32.6415 176.1610 37 H 5.0366 8.1769 120.9188 53.7811 32.0579 173.5257 38 K 4.6630 8.5866 122.0038 55.7070 32.3686 176.5298 39 C 4.3201 9.5036 127.8595 59.0531 31.7663 172.1468 40 P 4.3412 0.0000 0.0000 65.7045 30.6095 177.8103 41 V 3.2932 6.8644 116.9799 65.1515 31.9309 177.9313 42 C 4.4856 7.6195 122.5795 58.6933 33.5058 173.1524 43 G 4.0463 8.4728 106.6324 45.4739 0.0000 174.0064 44 F 3.8508 8.2591 119.4419 57.2458 39.9274 175.7730 45 K 5.2888 7.8365 123.2552 54.7722 29.9983 176.8573 46 K 4.8139 7.6818 115.9457 56.1781 33.6245 177.4210 47 L 5.3902 8.2105 120.0944 53.3844 43.8174 176.3416 48 K 5.1149 8.9638 122.9500 54.1107 36.3236 176.0584 49 R 3.3042 8.8458 123.5237 56.3193 30.3653 176.2350 50 A 4.3037 8.6156 128.6391 52.1787 20.4313 177.3189 51 G 3.6919 6.7416 101.2824 46.2960 0.0000 171.5215 52 T 3.4436 8.4134 119.0193 64.8081 68.1756 174.2868 53 G 4.4058 8.5113 114.3192 46.5905 0.0000 171.2369 54 I 4.8606 6.9244 121.0310 59.1177 39.1624 174.8677 55 W 5.4335 9.2636 126.0723 55.2947 33.5389 173.9766 56 M 5.0333 9.0832 121.2934 54.4362 36.0951 172.9675 57 C 5.8538 8.6370 123.7373 56.7542 33.0792 175.0502 58 G 3.2633 9.1054 116.0133 48.7539 0.0000 173.4567 59 H 4.2239 8.0063 119.6647 58.0082 30.2104 175.2592 60 C 4.3098 7.9669 113.7353 57.4693 30.4756 174.7481 61 G 3.9302 9.2276 110.0220 45.2060 0.0000 173.1790 62 Y 4.3228 7.9297 121.4423 58.2635 39.7893 174.7270 63 K 4.9590 8.3339 127.7946 54.6705 33.9427 174.8777 64 I 4.4412 9.4380 121.6344 58.8633 40.9892 174.4403 65 A 4.8458 8.5294 125.6971 51.4224 19.4688 176.5997 66 G 4.2579 8.3072 110.7863 44.3976 0.0000 171.4247 67 G 4.0748 8.1671 109.2750 45.7048 0.0000 173.7211 68 C 4.2381 8.4661 115.4317 61.6322 28.6111 174.3289 69 Y 5.1305 7.7500 113.5518 57.4766 39.3596 174.5989 70 Q 4.6014 8.0208 118.6704 53.5153 33.0166 174.0359 71 P 2.9700 0.0000 0.0000 64.1314 31.6583 176.0976 72 E 4.7192 7.5497 117.1936 54.2358 32.5545 174.9567 73 T 4.6287 8.0102 112.2540 59.3222 71.2730 175.1427 74 V 3.4902 8.5596 122.7451 66.6813 30.9976 178.2996 75 A 4.3255 7.6973 118.7994 54.8283 18.1257 179.8369 76 G 3.6608 8.4043 104.7297 47.7323 0.0000 176.1491 77 K 3.9451 7.6581 120.8609 59.1947 31.8695 179.2592 78 A 4.1030 7.7274 119.7151 54.7367 17.9439 179.9422 79 V 3.5409 7.1220 116.0231 66.4572 31.7342 176.9205 80 M 4.1125 7.2605 115.9816 58.4483 31.6649 177.8164 81 K 3.7690 7.7848 115.5233 57.6507 32.4359 176.7986 82 A 4.1701 7.0130 129.3155 52.7934 18.0672 177.7782 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 10 R 8.11 4.27 0.00 1.98 2.14 0.00 2.93 0.00 0.00 3.33 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 11 T 8.33 3.61 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 1.31 0.00 0.00 12 G 7.52 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.73 4.07 0.00 1.93 1.99 0.00 2.90 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.22 0.00 14 F 8.50 5.10 0.00 3.36 3.24 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 15 G 8.30 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.66 0.00 2.14 2.11 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 17 R 7.36 4.11 0.00 0.67 0.66 0.00 2.86 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.29 0.00 18 Y 8.05 4.22 0.00 3.07 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 19 G 8.05 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 20 L 7.90 3.94 0.00 1.72 1.63 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.05 3.85 0.00 1.80 1.90 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.58 7.81 22 I 7.93 3.68 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.04 0.82 0.00 0.00 23 R 7.86 4.62 0.00 2.42 2.59 0.00 3.22 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.60 0.00 24 V 8.12 3.64 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 1.04 0.00 0.00 1.00 0.00 0.00 25 R 8.19 4.07 0.00 2.12 1.93 0.00 3.16 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 26 V 7.46 3.60 2.37 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 1.01 0.00 0.00 1.17 0.00 0.00 27 A 8.02 3.94 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 28 D 7.95 4.28 0.00 3.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.58 1.94 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 0.58 0.00 0.00 0.84 0.00 0.00 30 E 8.20 4.23 0.00 2.16 2.03 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 2.35 2.40 0.00 31 I 8.06 3.77 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 1.00 0.00 0.00 32 K 8.17 4.19 0.00 2.09 1.93 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.48 7.81 33 H 8.19 5.18 0.00 3.56 3.59 0.00 5.78 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 34 K 8.25 4.43 0.00 1.82 1.85 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 35 K 7.03 4.14 0.00 1.83 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.72 7.81 36 K 8.41 4.04 0.00 1.70 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 37 H 8.18 5.04 0.00 3.35 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.59 4.66 0.00 1.63 1.76 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 C 9.50 4.32 0.00 3.10 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 40 P 0.00 4.34 0.00 2.27 2.16 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 41 V 6.86 3.29 1.71 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 0.59 0.00 0.00 -0.42 0.00 0.00 42 C 7.62 4.49 0.00 3.03 2.91 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 43 G 8.47 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 44 F 8.26 3.85 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 5.29 0.00 1.58 1.75 0.00 1.62 0.00 0.00 2.29 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.13 7.81 46 K 7.68 4.81 0.00 1.82 1.86 0.00 1.89 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.77 7.81 47 L 8.21 5.39 0.00 1.79 1.76 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.96 5.11 0.00 1.75 1.71 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 49 R 8.85 3.30 0.00 1.00 1.41 0.00 2.95 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 50 A 8.62 4.30 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 51 G 6.74 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 3.44 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 1.10 0.00 0.00 53 G 8.51 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.92 4.86 1.65 0.00 0.00 0.78 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 1.07 0.81 0.00 0.00 55 W 9.26 5.43 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 56 M 9.08 5.03 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 57 C 8.64 5.85 0.00 3.13 2.90 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 58 G 9.11 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 0.00 0.00 0.00 59 H 8.01 4.22 0.00 3.10 3.32 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.97 4.31 0.00 3.04 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 61 G 9.23 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 0.00 0.00 0.00 62 Y 7.93 4.32 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 63 K 8.33 4.96 0.00 1.69 1.54 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.34 7.81 64 I 9.44 4.44 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.33 0.87 0.00 0.00 65 A 8.53 4.85 1.26 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 0.00 0.00 66 G 8.31 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 0.00 0.00 0.00 0.00 67 G 8.17 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.47 4.24 0.00 2.44 1.38 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 69 Y 7.75 5.13 0.00 3.11 2.85 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 70 Q 8.02 4.60 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 71 P 0.00 2.97 0.00 1.68 1.07 0.00 2.89 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 1.55 1.21 0.00 72 E 7.55 4.72 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 73 T 8.01 4.63 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 74 V 8.56 3.49 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 1.04 0.00 0.00 0.93 0.00 0.00 75 A 7.70 4.33 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 0.00 0.00 0.00 0.00 0.00 76 G 8.40 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 3.95 0.00 2.03 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.61 7.81 78 A 7.73 4.10 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 79 V 7.12 3.54 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 0.87 0.00 0.00 0.99 0.00 0.00 80 M 7.26 4.11 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 81 K 7.78 3.77 0.00 1.88 1.68 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 1.44 1.61 7.81 82 A 7.01 4.17 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