NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.1259 7.9133 120.3112 61.8019 33.7651 177.5793 13 S 3.9168 8.0426 116.6165 61.0615 62.6142 175.1190 14 I 3.7475 7.8510 122.2708 64.1051 37.3605 177.6103 15 E 3.9044 8.0995 119.7113 59.2644 29.5767 178.7843 16 K 3.9323 8.2862 118.4226 59.5010 32.1324 179.1820 17 A 4.0175 7.7576 120.9442 55.1222 18.3090 179.6684 18 I 3.6341 8.0368 118.6344 64.6356 37.1692 178.8950 19 V 3.6110 7.9107 118.9918 65.9024 31.3501 178.0180 20 R 3.8658 8.0609 118.5758 59.5451 29.9379 177.9057 21 H 4.0320 8.3702 118.0179 59.4789 29.9189 176.7940 22 D 4.4369 8.2224 120.5669 57.5351 40.7066 178.7364 23 E 3.9699 8.2990 118.9540 59.6036 29.4432 179.7689 24 R 3.9157 7.9500 118.0037 59.1661 30.1457 179.3118 25 V 3.5745 7.8467 118.1173 65.7957 31.4577 177.9665 26 K 3.9533 8.6056 119.8234 59.4456 32.0102 178.5803 27 S 4.0547 8.0474 113.0819 61.3448 62.3088 176.1137 28 A 3.9261 7.7940 122.9271 55.0938 18.1004 178.8625 29 N 4.2154 8.6199 115.9145 57.2931 39.0324 176.8253 30 D 4.3247 8.5220 120.1871 57.1015 40.8461 178.6165 31 A 4.0137 8.0092 121.4473 55.2048 18.3012 179.7742 32 I 3.6597 7.8678 118.2539 64.6967 37.2208 178.8720 33 S 4.1112 8.3077 116.1788 61.3078 62.6148 176.6326 34 K 3.8776 8.5548 122.7664 59.4882 31.7419 178.5017 35 L 4.0742 7.6855 119.2745 58.1946 42.0227 177.9628 36 N 4.4110 8.2456 116.3411 56.9893 38.9346 176.4486 37 E 4.3433 7.9010 118.6369 57.8003 29.5822 177.2520 38 K 4.1651 7.4571 119.8359 55.1061 34.2772 174.6961 39 D 4.4609 8.6939 127.6198 54.1614 41.2022 175.7326 40 S 4.7601 8.1992 120.7009 55.7037 67.6472 174.7455 41 I 3.6653 8.2140 123.0592 64.5188 36.8215 178.2695 42 E 3.9250 8.1220 119.6309 59.5006 29.5588 178.5398 43 N 4.3616 8.3404 116.4604 56.1675 38.5410 177.7030 44 R 3.9436 8.2377 119.8200 59.2735 30.0903 179.3618 45 R 3.9274 8.1678 117.8721 59.1990 30.0151 179.0446 46 L 3.9711 8.1506 118.7144 57.7079 41.5248 179.5205 47 A 3.9525 8.0890 120.6272 55.2455 18.3456 179.4759 48 Q 3.8727 8.2069 118.1623 59.1190 29.0831 178.4174 49 R 3.8558 8.3507 120.1156 59.6695 29.9946 178.4651 50 E 3.9840 8.1923 117.1311 59.1881 29.7167 179.1830 51 V 3.7313 8.0754 118.6393 66.2323 31.4053 177.9006 52 N 4.3907 8.1261 114.7661 55.8608 38.4333 176.6172 53 K 4.2707 7.6881 117.0844 55.8694 32.7169 177.0411 54 A 4.2304 7.1182 122.6159 50.7433 19.4237 175.7638 55 P 4.3193 0.0000 0.0000 62.7083 32.0624 177.6797 56 M 4.0632 8.7857 121.5017 58.8315 31.8700 178.2467 57 D 4.4664 8.1591 117.7046 55.3086 39.9839 177.5946 58 V 4.3534 7.5339 111.5342 60.5532 32.5821 177.1724 59 K 3.8821 7.7018 121.4358 59.4865 31.9725 178.0202 60 E 3.9039 8.1971 119.0263 59.5904 29.5114 178.0097 61 H 4.0500 8.2305 117.5578 59.4618 29.9286 177.0478 62 L 3.9905 7.9546 120.6922 57.7420 41.4201 179.3218 63 Q 3.9628 8.4840 120.0007 59.0190 29.0163 178.3346 64 K 3.9255 8.2896 119.8476 59.4209 32.0730 179.0587 65 Q 3.8759 8.1256 119.7412 58.9964 28.9453 177.8108 66 L 3.8876 8.1807 121.6878 58.4587 42.0624 178.4875 67 D 4.3506 8.5575 118.7299 57.4957 40.7060 178.8824 68 A 3.9734 8.0432 120.9750 55.0426 18.3428 179.4638 69 L 3.8593 7.9127 118.8582 58.2567 42.2114 179.3773 70 V 3.5564 8.1734 118.3722 65.9040 31.5566 177.7150 71 A 3.9915 8.3428 120.9599 55.1464 18.1545 179.2729 72 Q 3.8718 8.2923 118.0859 59.4027 29.0437 178.7977 73 K 3.9676 8.3992 119.7345 59.6712 31.8951 179.0764 74 D 4.3604 8.4675 118.0128 57.3981 40.7687 178.5226 75 A 4.1481 7.7733 120.3077 55.0142 18.4702 179.2571 76 E 4.0732 7.8229 115.6990 58.6503 29.5883 177.8217 77 K 4.2921 7.5368 122.9334 56.5475 32.4093 176.4433 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 12 V 7.91 4.13 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 13 S 8.04 3.92 0.00 3.97 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 14 I 7.85 3.75 1.87 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 1.52 0.71 0.90 0.00 0.00 15 E 8.10 3.90 0.00 2.07 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 0.00 2.38 2.46 0.00 16 K 8.29 3.93 0.00 1.80 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.61 7.81 17 A 7.76 4.02 1.37 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 0.00 0.00 18 I 8.04 3.63 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 0.91 0.00 0.00 19 V 7.91 3.61 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 1.11 0.00 0.00 1.03 0.00 0.00 20 R 8.06 3.87 0.00 2.06 2.06 0.00 3.34 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 H 8.37 4.03 0.00 3.37 3.43 0.00 5.65 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 22 D 8.22 4.44 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 3.97 0.00 2.20 2.00 0.00 0.00 0.00 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 2.57 0.00 24 R 7.95 3.92 0.00 1.93 1.93 0.00 3.11 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 25 V 7.85 3.57 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 0.84 0.00 0.00 0.96 0.00 0.00 26 K 8.61 3.95 0.00 1.91 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.45 7.81 27 S 8.05 4.05 0.00 3.96 3.97 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 28 A 7.79 3.93 1.37 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 0.00 0.00 29 N 8.62 4.22 0.00 2.80 2.99 0.00 0.00 7.30 8.39 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 30 D 8.52 4.32 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.01 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 32 I 7.87 3.66 2.01 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 1.52 0.82 0.91 0.00 0.00 33 S 8.31 4.11 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 34 K 8.55 3.88 0.00 1.88 1.97 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 L 7.69 4.07 0.00 1.67 1.89 0.92 1.06 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 N 8.25 4.41 0.00 2.72 3.02 0.00 0.00 7.30 7.90 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 37 E 7.90 4.34 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 38 K 7.46 4.17 0.00 1.69 1.66 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.37 7.81 39 D 8.69 4.46 0.00 2.65 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 40 S 8.20 4.76 0.00 4.01 3.88 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 I 8.21 3.67 1.87 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 1.52 0.85 0.91 0.00 0.00 42 E 8.12 3.93 0.00 2.07 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 0.00 2.37 2.46 0.00 43 N 8.34 4.36 0.00 2.78 2.85 0.00 0.00 7.06 7.13 0.00 0.00 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 R 8.24 3.94 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 45 R 8.17 3.93 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 46 L 8.15 3.97 0.00 1.68 1.71 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.09 3.95 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 0.00 0.00 48 Q 8.21 3.87 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 49 R 8.35 3.86 0.00 1.94 2.11 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 50 E 8.19 3.98 0.00 1.96 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 2.55 2.46 0.00 51 V 8.08 3.73 2.13 0.00 0.00 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 0.94 0.00 0.00 52 N 8.13 4.39 0.00 2.96 2.87 0.00 0.00 7.11 7.16 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 53 K 7.69 4.27 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.61 7.81 54 A 7.12 4.23 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 55 P 0.00 4.32 0.00 2.19 1.90 0.00 3.50 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 1.57 1.90 0.00 56 M 8.79 4.06 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 57 D 8.16 4.47 0.00 2.89 2.82 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 58 V 7.53 4.35 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 0.84 0.00 0.00 1.01 0.00 0.00 59 K 7.70 3.88 0.00 1.95 1.81 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.59 7.81 60 E 8.20 3.90 0.00 2.08 1.96 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 2.39 2.38 0.00 61 H 8.23 4.05 0.00 3.30 3.48 0.00 5.92 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 L 7.95 3.99 0.00 1.89 1.71 0.93 0.91 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 63 Q 8.48 3.96 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 64 K 8.29 3.93 0.00 2.04 1.77 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 65 Q 8.13 3.88 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 66 L 8.18 3.89 0.00 1.75 1.80 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.56 4.35 0.00 2.79 2.71 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 68 A 8.04 3.97 1.37 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 0.00 0.00 69 L 7.91 3.86 0.00 1.87 1.83 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.17 3.56 2.08 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 0.78 0.00 0.00 0.99 0.00 0.00 71 A 8.34 3.99 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 72 Q 8.29 3.87 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 73 K 8.40 3.97 0.00 1.89 2.02 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.62 7.81 74 D 8.47 4.36 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.15 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 0.00 0.00 76 E 7.82 4.07 0.00 2.12 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 2.34 2.50 0.00 77 K 7.54 4.29 0.00 1.85 1.71 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.52 7.81