NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0705 7.8976 120.3118 61.9307 33.3876 172.6157 10 N 3.9872 7.9620 120.8577 51.8720 36.4410 165.0000 11 V 3.1238 9.0699 130.4128 63.0629 33.8063 173.9028 12 Q 4.2117 8.3020 124.9713 55.5643 29.5491 176.1497 13 R 4.0777 8.3011 119.8608 55.2482 32.2394 176.0864 14 P 4.2127 0.0000 0.0000 66.2364 31.1690 179.0460 15 L 4.0160 7.8086 115.0468 57.2356 41.9817 178.7202 16 D 4.5953 8.0624 118.7240 57.0520 40.9858 178.2078 17 A 4.2430 8.3079 123.0666 54.4952 18.2388 179.1638 18 L 3.8183 7.9407 118.9394 58.3849 42.0467 179.4690 19 G 3.9508 8.1041 105.0653 47.8085 0.0000 175.1687 20 N 4.5234 8.3464 117.9546 55.5406 38.8210 176.3948 21 S 4.5719 8.0804 115.5093 57.1721 63.4125 173.9400 22 L 4.3706 7.2213 122.4280 56.6006 41.8001 176.8699 23 N 4.3851 9.7685 119.7931 53.9600 36.8042 173.9744 24 S 5.0526 7.8172 114.1623 55.6155 66.9865 171.8776 25 P 4.8943 0.0000 0.0000 63.3355 32.6391 175.5503 26 V 5.0497 9.0279 114.6606 59.9823 36.9187 174.0405 27 I 4.9880 9.1285 122.4463 59.6817 40.3702 174.8569 28 I 4.8143 9.0617 127.6652 59.3328 40.2320 174.2288 29 K 4.6658 8.2126 128.5512 54.6367 33.8306 175.2437 30 L 5.1536 8.8733 126.8703 52.4824 44.9417 176.2929 31 K 3.9277 8.8503 120.7808 58.0413 32.3726 178.0666 32 G 3.8146 8.5876 110.0272 45.2107 0.0000 173.8708 33 D 4.7097 7.7368 117.3023 53.8521 41.3698 174.5198 34 R 4.1682 7.5811 117.0595 56.8874 31.6695 174.9492 35 E 5.1047 8.2333 121.9578 54.5306 33.2354 174.3102 36 F 5.3442 9.3069 123.8455 55.9051 43.7984 173.9959 37 R 5.1039 9.0041 118.8377 54.4625 34.7722 175.0405 38 G 4.3525 7.9854 107.4876 46.5761 0.0000 171.2158 39 V 4.6758 7.8684 120.1915 61.3119 33.1406 175.0906 40 L 4.3905 8.6416 130.8929 55.3895 42.2375 177.0639 41 K 4.0380 8.7944 126.5717 57.7773 33.9056 176.5122 42 S 4.7338 7.8613 112.1764 58.2063 65.6517 174.8642 43 F 5.7383 8.1748 114.6589 56.8981 40.9339 171.9644 44 D 4.8789 8.5481 117.7550 51.1618 42.2957 175.9129 45 L 4.1802 8.4237 117.9109 58.1410 40.4960 177.2236 46 H 4.5099 8.6246 116.5698 55.7392 28.7619 175.7891 47 M 3.3931 8.4498 118.8853 56.0630 31.3991 175.7654 48 N 4.8631 8.1294 113.9552 53.4125 40.0307 173.8681 49 L 5.2770 8.9179 120.1054 53.2844 46.9860 175.2662 50 V 4.8291 8.7375 121.0318 61.1759 34.2189 174.3753 51 L 5.3385 9.0521 127.3239 53.1266 45.3337 175.2887 52 N 5.0764 9.1572 119.4382 51.7601 41.6216 174.3685 53 D 4.4253 8.5840 117.7199 55.3349 38.9082 174.0159 54 A 4.7867 8.0078 119.1862 51.9869 20.4226 177.6667 55 E 5.0930 9.2292 118.4815 54.6908 34.6305 174.0312 56 E 4.5292 9.1288 123.7729 54.4957 31.6507 174.6364 57 L 5.1829 8.3097 126.8758 53.1180 44.4749 175.9960 58 E 4.3136 9.4747 123.5323 55.8193 32.4105 174.8606 59 D 4.3594 9.8747 127.2608 55.3661 39.6806 174.1859 60 G 3.9067 8.3001 103.7001 45.3111 0.0000 173.0326 61 E 4.4680 8.3671 121.5992 53.9337 31.2233 175.0509 62 V 4.1443 8.2869 126.0543 63.0511 31.5607 175.4331 63 T 4.4227 8.5539 118.3167 62.4672 69.9647 174.8937 64 R 4.6026 7.6543 121.3208 55.3338 33.7596 173.4216 65 R 4.8359 8.6329 124.6409 54.9079 31.2570 175.8996 66 L 4.3705 9.0592 124.0297 52.7821 42.4861 179.2518 67 G 3.6320 8.0482 108.9128 47.2722 0.0000 174.1384 68 T 4.9163 8.4721 121.0878 62.6928 69.4253 174.1099 69 V 4.5357 8.8730 124.7089 60.0330 35.5028 173.4383 70 L 5.0425 8.4702 124.1929 53.5569 43.9012 175.1949 71 I 4.3076 8.4848 127.7728 59.2735 39.6008 175.2200 72 R 4.2209 8.5263 127.9552 55.6764 30.7843 176.9860 73 G 4.0903 9.2775 114.4410 47.5403 0.0000 174.3491 74 D 4.5542 7.9924 116.6356 54.7428 39.8278 176.4527 75 N 4.6113 8.0637 117.4698 54.1060 39.2101 175.0016 76 I 4.3078 7.5118 120.1525 61.2000 37.9235 175.3267 77 V 4.2662 8.5527 125.9012 64.4675 32.1620 175.1770 78 Y 5.0367 7.1583 116.2424 55.8244 41.6775 172.7953 79 I 5.3078 8.5084 120.3531 59.7144 40.5028 174.9371 80 S 4.8498 9.3080 120.7483 56.2686 67.2104 172.8051 81 R 4.3753 8.6164 120.5893 56.1593 30.6471 176.1800 82 G 4.1803 8.2561 113.9496 44.1735 0.0000 173.1334 83 K 4.0022 8.4078 119.2613 57.5365 32.6534 176.7602 84 L 4.2374 8.8604 124.7865 54.7239 42.5505 172.8875 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 9 V 7.90 4.07 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 0.77 0.00 0.00 0.93 0.00 0.00 10 N 7.96 3.99 0.00 2.91 2.94 0.00 0.00 5.99 6.79 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 11 V 9.07 3.12 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 0.74 0.00 0.00 0.93 0.00 0.00 12 Q 8.30 4.21 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 13 R 8.30 4.08 0.00 1.83 1.85 0.00 3.32 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 14 P 0.00 4.21 0.00 2.13 2.10 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 15 L 7.81 4.02 0.00 1.65 1.84 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.60 0.00 2.86 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 17 A 8.31 4.24 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 18 L 7.94 3.82 0.00 1.50 0.83 0.12 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.10 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 0.00 0.00 0.00 20 N 8.35 4.52 0.00 2.77 2.91 0.00 0.00 6.96 7.12 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 21 S 8.08 4.57 0.00 3.97 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 22 L 7.22 4.37 0.00 1.74 1.68 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.77 4.39 0.00 2.85 2.96 0.00 0.00 6.82 5.12 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 24 S 7.82 5.05 0.00 3.94 3.73 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 25 P 0.00 4.89 0.00 2.13 2.19 0.00 3.65 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 2.08 2.01 0.00 26 V 9.03 5.05 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 27 I 9.13 4.99 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.20 0.99 0.00 0.00 28 I 9.06 4.81 1.95 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 1.00 0.85 0.00 0.00 29 K 8.21 4.67 0.00 1.01 0.74 0.00 1.42 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.13 1.21 7.81 30 L 8.87 5.15 0.00 1.76 1.58 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.85 3.93 0.00 1.69 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.56 7.81 32 G 8.59 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 33 D 7.74 4.71 0.00 2.82 2.87 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 0.00 0.00 0.00 34 R 7.58 4.17 0.00 2.01 1.78 0.00 3.18 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 35 E 8.23 5.10 0.00 1.91 1.59 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 2.17 2.26 0.00 36 F 9.31 5.34 0.00 3.01 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 37 R 9.00 5.10 0.00 1.75 1.78 0.00 3.22 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 7.99 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 4.68 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 1.00 0.00 0.00 0.95 0.00 0.00 40 L 8.64 4.39 0.00 1.88 1.74 1.03 0.58 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 41 K 8.79 4.04 0.00 1.77 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.52 7.81 42 S 7.86 4.73 0.00 3.72 3.87 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 0.00 0.00 0.00 43 F 8.17 5.74 0.00 3.11 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 44 D 8.55 4.88 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.18 0.00 1.76 1.83 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.62 4.51 0.00 3.54 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.45 3.39 0.00 2.25 2.16 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 2.44 2.47 0.00 48 N 8.13 4.86 0.00 3.02 2.74 0.00 0.00 6.78 6.74 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 49 L 8.92 5.28 0.00 1.53 1.53 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.74 4.83 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 1.07 0.00 0.00 0.93 0.00 0.00 51 L 9.05 5.34 0.00 1.58 1.52 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.16 5.08 0.00 2.62 2.71 0.00 0.00 7.18 7.73 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 53 D 8.58 4.43 0.00 2.79 2.72 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 54 A 8.01 4.79 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.23 5.09 0.00 1.88 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 2.23 2.26 0.00 56 E 9.13 4.53 0.00 1.80 1.62 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 1.74 1.47 0.00 57 L 8.31 5.18 0.00 1.39 1.47 0.87 0.65 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 58 E 9.47 4.31 0.00 1.78 1.68 0.00 0.00 0.00 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 59 D 9.87 4.36 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 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 0.00 0.00 0.00 61 E 8.37 4.47 0.00 2.06 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 2.20 2.24 0.00 62 V 8.29 4.14 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 0.89 0.00 0.00 0.91 0.00 0.00 63 T 8.55 4.42 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 1.21 0.00 0.00 64 R 7.65 4.60 0.00 1.88 1.76 0.00 3.20 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 65 R 8.63 4.84 0.00 1.71 1.86 0.00 3.30 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 66 L 9.06 4.37 0.00 1.59 1.75 1.24 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.05 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 4.92 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 1.26 0.00 0.00 69 V 8.87 4.54 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 0.87 0.00 0.00 0.85 0.00 0.00 70 L 8.47 5.04 0.00 1.63 1.55 0.91 0.97 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 71 I 8.48 4.31 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.29 0.74 0.00 0.00 72 R 8.53 4.22 0.00 1.81 1.77 0.00 3.18 0.00 0.00 3.63 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 73 G 9.28 4.09 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 0.00 0.00 0.00 74 D 7.99 4.55 0.00 2.80 2.80 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 75 N 8.06 4.61 0.00 2.87 2.86 0.00 0.00 6.92 7.83 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 76 I 7.51 4.31 1.96 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 1.13 0.42 0.89 0.00 0.00 77 V 8.55 4.27 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 0.91 0.00 0.00 0.92 0.00 0.00 78 Y 7.16 5.04 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 5.31 1.88 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 1.39 0.68 0.91 0.00 0.00 80 S 9.31 4.85 0.00 3.84 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 81 R 8.62 4.38 0.00 1.84 1.87 0.00 3.31 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 82 G 8.26 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 83 K 8.41 4.00 0.00 1.88 1.87 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 84 L 8.86 4.24 0.00 1.72 1.86 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00