NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5748 8.1476 120.2697 55.2231 34.2601 173.6475 2 Q 4.8307 8.4262 120.8204 52.5283 31.0690 172.9967 3 I 4.6053 8.8723 117.8965 58.8439 41.8855 175.3373 4 F 5.4229 9.0148 121.2399 55.7105 42.2672 174.7949 5 V 4.8455 8.7131 122.2422 60.9857 34.2378 174.0908 6 K 4.7123 9.1750 130.8076 56.1188 33.6240 176.3669 7 T 4.8760 8.5848 119.0598 60.1129 71.4554 175.1279 8 L 3.9743 8.7328 120.5372 58.2482 41.5357 178.4748 9 T 4.2212 7.8386 105.2851 61.5669 69.3410 174.9999 10 G 4.0077 8.0643 111.3005 45.1680 0.0000 174.2229 11 K 4.1032 7.5917 120.6848 56.9117 33.3243 175.7734 12 T 5.0354 8.4822 123.8743 62.3824 69.9065 174.2095 13 I 4.5540 9.1519 120.1073 59.8180 40.6158 174.3984 14 T 4.9496 8.4226 119.8842 62.0726 70.3215 173.9548 15 L 4.8388 8.6560 125.3088 52.7549 46.2920 175.0589 16 E 4.8527 8.6752 121.7308 54.7667 31.0474 175.2983 17 V 4.7327 8.4352 119.3885 59.7549 36.1312 174.7657 18 E 4.7857 8.6897 120.7695 53.8842 32.5062 175.8438 19 P 4.3487 0.0000 0.0000 64.5489 31.5036 177.6802 20 S 4.6621 7.6605 112.6086 57.8691 64.4436 174.0650 21 D 4.3203 8.1827 122.1996 54.8210 40.9972 176.8833 22 T 5.1381 8.3531 115.6360 61.4779 70.9514 174.9847 23 I 3.9306 8.1712 120.4171 63.7501 37.1664 178.2580 24 E 3.9861 8.1791 119.3750 59.3573 29.2767 178.6682 25 N 4.3295 7.8797 116.5368 56.4002 38.7024 177.2780 26 V 3.5547 7.4532 119.2680 66.2935 31.6062 178.1573 27 K 4.4721 8.4171 118.9848 58.7655 31.8044 179.1163 28 A 3.9903 8.5864 121.6387 55.2953 18.3539 179.9317 29 K 4.2300 8.0536 118.1504 58.9985 32.0585 179.6380 30 I 3.8748 7.7948 120.2580 63.8492 37.0248 177.8255 31 Q 4.0323 8.5159 121.1156 59.4270 28.3929 177.8650 32 D 4.4076 8.0362 119.6541 57.5695 40.7494 179.0624 33 K 4.1296 7.7615 117.7194 57.9474 32.4843 177.3414 34 E 4.5861 8.4494 117.5017 55.2071 31.3908 176.6491 35 G 3.9561 8.5442 106.2650 45.0476 0.0000 172.5852 36 I 4.3648 7.2691 119.9877 58.3890 38.6797 174.0336 37 P 4.4158 0.0000 0.0000 61.8659 32.1966 175.3537 38 P 4.2315 0.0000 0.0000 65.9615 31.2366 178.1981 39 D 4.5349 8.1034 113.8123 54.8594 39.3371 176.3555 40 Q 4.4925 7.6381 117.6210 55.9735 30.4781 175.4919 41 Q 4.3477 8.3018 119.4046 55.4374 30.2972 175.0886 42 R 4.9107 9.0067 122.9356 54.3067 33.3784 174.6368 43 L 5.1762 8.4771 123.0052 53.0668 44.4268 175.1790 44 I 4.9591 8.9771 124.9247 59.4461 40.2172 174.4579 45 F 4.9473 8.8559 128.4944 56.7027 42.6358 174.4636 46 A 3.4277 9.2803 129.0037 53.0762 15.7822 177.8417 47 G 3.9317 8.4831 106.9406 46.5494 0.0000 174.2262 48 K 4.5762 7.9936 119.6773 54.3203 34.5711 174.6768 49 Q 4.7091 8.4257 124.0319 55.0881 29.9595 175.0419 50 L 3.8975 8.5485 127.5243 54.5483 42.7815 176.2270 51 E 4.6295 8.9851 123.2465 54.6541 31.5434 175.7087 52 D 4.6790 8.7374 124.0850 55.7537 41.3789 175.8760 53 G 4.0876 9.6786 113.7453 46.0693 0.0000 174.3048 54 R 4.3878 7.9600 118.7879 55.1946 31.9277 174.9576 55 T 5.2066 8.8397 107.9607 59.6377 71.7008 174.9038 56 L 3.9759 8.5302 122.7535 58.1804 42.1978 179.9964 57 S 4.0564 8.3926 113.1686 61.4409 62.3631 175.9345 58 D 4.2289 7.8474 118.5184 56.8480 40.5092 176.9140 59 Y 4.5054 7.7323 113.4876 56.9383 38.9845 174.5376 60 N 4.1335 8.0619 117.3759 54.6186 37.4736 174.6058 61 I 3.6757 7.8890 119.1588 60.4580 37.0106 176.0308 62 Q 4.5062 8.1714 124.6453 53.0863 31.1178 174.8773 63 K 3.8141 8.3900 119.0831 58.6788 32.1399 176.0694 64 E 4.0796 9.0848 123.5818 56.8494 28.0130 174.8378 65 S 4.5229 7.9335 116.1254 59.2836 64.1786 173.3051 66 T 5.1405 8.7494 119.9885 62.1482 69.9976 173.9155 67 L 4.9719 9.2249 127.0599 53.7034 44.4159 175.2056 68 H 5.1985 9.1237 119.3260 53.9492 31.6989 172.7115 69 L 5.1512 8.6831 125.2826 53.6960 43.5151 175.8446 70 V 4.5839 8.5615 117.7405 60.3773 36.6708 174.2619 71 L 5.3165 8.2126 121.9151 53.5708 44.3023 175.7984 72 R 4.6462 8.4772 118.1419 55.2605 32.5516 175.7143 73 L 4.5811 8.0539 123.2619 52.6942 42.1676 175.2620 74 R 4.1283 8.2574 122.7629 55.6827 30.9602 177.2762 75 G 3.7248 8.3725 109.9030 45.8567 0.0000 172.1816 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 1 M 8.15 4.57 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 2 Q 8.43 4.83 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 3 I 8.87 4.61 1.90 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 1.11 0.62 0.85 0.00 0.00 4 F 9.01 5.42 0.00 2.99 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 5 V 8.71 4.85 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 0.96 0.00 0.00 0.94 0.00 0.00 6 K 9.18 4.71 0.00 1.80 1.68 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 7 T 8.58 4.88 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 1.23 0.00 0.00 8 L 8.73 3.97 0.00 1.64 1.80 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.84 4.22 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 1.22 0.00 0.00 10 G 8.06 4.01 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 0.00 0.00 0.00 11 K 7.59 4.10 0.00 1.90 1.70 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.48 5.04 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 13 I 9.15 4.55 1.90 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 1.44 0.88 0.94 0.00 0.00 14 T 8.42 4.95 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 1.06 0.00 0.00 15 L 8.66 4.84 0.00 1.47 1.45 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.85 0.00 1.87 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 2.15 2.32 0.00 17 V 8.44 4.73 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 8.69 4.79 0.00 1.87 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 2.38 0.00 19 P 0.00 4.35 0.00 2.15 2.07 0.00 3.53 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 2.09 2.09 0.00 20 S 7.66 4.66 0.00 3.81 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 21 D 8.18 4.32 0.00 2.79 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 22 T 8.35 5.14 4.53 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 1.21 0.00 0.00 23 I 8.17 3.93 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.77 0.91 0.00 0.00 24 E 8.18 3.99 0.00 2.05 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 2.41 2.48 0.00 25 N 7.88 4.33 0.00 2.83 2.86 0.00 0.00 6.65 7.59 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 26 V 7.45 3.55 2.18 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 1.00 0.00 0.00 0.93 0.00 0.00 27 K 8.42 4.47 0.00 1.98 1.91 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.60 7.81 28 A 8.59 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 4.23 0.00 1.87 1.86 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.37 7.81 30 I 7.79 3.87 2.17 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 1.41 1.03 0.94 0.00 0.00 31 Q 8.52 4.03 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 8.04 4.41 0.00 2.85 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 33 K 7.76 4.13 0.00 1.92 1.83 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 34 E 8.45 4.59 0.00 2.05 1.92 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 2.21 2.32 0.00 35 G 8.54 3.96 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 0.00 0.00 0.00 36 I 7.27 4.36 1.87 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 1.42 0.67 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.23 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.10 4.53 0.00 2.77 2.79 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 40 Q 7.64 4.49 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 41 Q 8.30 4.35 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 42 R 9.01 4.91 0.00 1.85 1.80 0.00 3.09 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.48 5.18 0.00 1.51 1.54 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.98 4.96 1.90 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 1.11 0.77 0.93 0.00 0.00 45 F 8.86 4.95 0.00 2.99 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 46 A 9.28 3.43 0.60 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 47 G 8.48 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 48 K 7.99 4.58 0.00 1.97 1.72 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.36 7.81 49 Q 8.43 4.71 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 50 L 8.55 3.90 0.00 1.52 1.46 0.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.99 4.63 0.00 2.06 1.92 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 2.35 2.47 0.00 52 D 8.74 4.68 0.00 2.68 2.64 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 0.00 0.00 0.00 0.00 53 G 9.68 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 54 R 7.96 4.39 0.00 2.06 1.95 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 55 T 8.84 5.21 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 1.26 0.00 0.00 56 L 8.53 3.98 0.00 1.88 1.73 0.89 0.71 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 57 S 8.39 4.06 0.00 4.01 3.83 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 0.00 0.00 0.00 58 D 7.85 4.23 0.00 2.59 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 0.00 0.00 0.00 0.00 59 Y 7.73 4.51 0.00 2.91 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 60 N 8.06 4.13 0.00 2.94 3.07 0.00 0.00 7.15 7.70 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 61 I 7.89 3.68 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.19 0.64 0.00 0.00 62 Q 8.17 4.51 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.97 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 63 K 8.39 3.81 0.00 1.69 1.75 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.51 7.81 64 E 9.08 4.08 0.00 2.27 2.29 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 2.48 2.36 0.00 65 S 7.93 4.52 0.00 3.87 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 66 T 8.75 5.14 4.28 0.00 0.00 0.00 0.00 0.00 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 67 L 9.22 4.97 0.00 1.61 1.59 0.83 0.79 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 68 H 9.12 5.20 0.00 3.23 3.18 0.00 5.78 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 69 L 8.68 5.15 0.00 1.63 1.69 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.56 4.58 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 0.66 0.00 0.00 0.99 0.00 0.00 71 L 8.21 5.32 0.00 1.59 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.48 4.65 0.00 1.76 1.81 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 L 8.05 4.58 0.00 1.53 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.26 4.13 0.00 1.84 1.85 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 G 8.37 3.72 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 0.00 0.00 0.00