NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.0631 8.0549 120.3930 62.5348 32.6036 175.1418 12 Q 4.0595 8.5306 126.5673 54.9129 29.5926 175.3215 13 R 4.1131 9.1928 121.4507 55.4031 33.1987 175.7393 14 P 4.2027 0.0000 0.0000 66.2748 31.2120 179.0412 15 L 3.9912 7.8060 114.7334 57.1779 41.8784 178.6436 16 D 4.6274 8.0575 118.6637 56.9280 41.0919 178.3347 17 A 4.0386 8.2527 121.4722 54.9274 18.3139 179.3141 18 L 3.9798 7.8744 118.8406 58.1148 41.9093 179.3605 19 G 4.0066 8.1295 105.6274 47.7937 0.0000 175.3053 20 N 4.5065 8.5907 118.1327 55.7626 38.8407 176.4977 21 S 4.5829 8.0338 114.9371 57.3133 63.2518 173.9680 22 L 4.3689 7.1953 122.9279 56.3736 41.7210 176.7877 23 N 4.4468 9.6890 120.7445 54.0904 36.5937 174.0121 24 S 5.0221 7.8183 113.4194 55.7440 67.3824 171.6590 25 P 5.0274 0.0000 0.0000 63.0715 32.6656 175.5920 26 V 5.0734 9.2701 115.4821 59.7235 36.6806 174.2208 27 I 4.9698 8.9403 122.6836 59.7000 40.2901 174.7664 28 I 4.6860 9.0545 128.2110 59.4339 39.6155 174.3445 29 K 4.4579 8.1545 129.1792 54.7710 33.8094 175.6211 30 L 5.0880 8.4684 126.9127 52.5707 45.1112 175.7325 31 K 4.2096 8.5493 120.9227 57.7140 32.3516 177.8814 32 G 3.9626 9.6337 112.2468 45.0134 0.0000 174.6414 33 D 4.7333 7.9322 118.0274 53.9715 39.8779 174.5944 34 R 4.2130 7.2133 119.0569 56.6318 31.4582 174.7787 35 E 5.1223 8.4558 122.6626 54.7100 33.7640 173.9006 36 F 5.2097 9.3195 123.1719 55.7692 43.4662 174.2122 37 R 5.0550 8.6889 119.8114 54.6147 34.4050 175.1281 38 G 4.3512 8.2604 108.6193 46.4835 0.0000 171.2684 39 V 4.7381 7.7765 119.9492 61.2464 33.2731 175.3826 40 L 4.3943 8.7522 130.7909 55.4138 42.3381 176.9279 41 K 4.2710 8.9891 126.5318 58.0317 34.0069 176.3306 42 S 4.6743 7.7611 112.1650 58.0653 66.1869 173.4181 43 F 5.8573 7.9588 114.3506 57.5731 40.5839 171.9300 44 D 4.8672 8.5350 117.4850 51.4133 42.3440 175.9326 45 L 4.1739 8.4891 117.7762 57.1482 41.6582 177.7498 46 H 4.6047 8.3308 115.2033 55.4880 29.1648 175.6663 47 M 3.3926 8.3233 118.2924 55.9335 31.2976 176.1020 48 N 4.8746 8.3935 114.6176 53.3227 40.0021 174.1097 49 L 5.3457 8.9877 120.9832 53.0798 46.7242 175.4360 50 V 4.8531 8.8925 121.9502 61.1585 34.1532 174.3455 51 L 5.3589 8.8477 127.1856 53.1297 45.2993 175.3081 52 N 5.1292 9.1982 119.2813 51.5606 41.8001 174.2192 53 D 4.5943 8.4957 117.4171 55.3618 38.8628 173.9193 54 A 4.9476 8.0145 119.6495 51.3996 20.8865 177.6264 55 E 5.0472 9.1835 118.0234 54.5504 33.3681 174.2482 56 E 4.2610 9.3095 123.1782 54.7855 31.9922 174.6258 57 L 5.1105 8.3844 124.7064 52.8994 46.3460 175.2119 58 E 4.2829 8.6438 123.7879 54.7307 31.4426 174.8621 59 D 4.0417 9.8051 121.4850 55.9067 38.7841 174.2233 60 G 3.6288 8.2796 109.3415 46.0876 0.0000 170.6504 61 E 4.1496 8.5066 121.6937 54.3851 29.8294 175.1155 62 V 3.7620 8.3048 126.8109 63.7761 30.8539 175.3262 63 T 4.2644 8.3270 118.1151 62.4133 69.6683 174.9601 64 R 4.3485 7.2450 120.1979 55.9471 33.4291 173.0817 65 R 4.7387 8.7687 124.4803 54.9075 30.7473 175.7090 66 L 4.1370 8.9703 125.6657 54.3913 42.6315 179.1209 67 G 3.9986 8.3483 106.2140 45.6980 0.0000 173.2731 68 T 4.8363 8.3550 121.3363 63.3514 69.2472 174.3265 69 V 4.5139 8.8092 124.6421 59.9338 35.4553 173.6917 70 L 4.9702 8.4834 124.6309 53.6454 43.5852 175.1770 71 I 4.3221 8.5717 127.8791 59.2137 39.9026 175.2624 72 R 4.3799 8.4932 127.5612 55.6813 30.8903 177.3793 73 G 4.0028 9.9583 114.8835 48.0173 0.0000 175.0338 74 D 4.4842 8.0451 117.8820 55.3801 39.5949 176.6821 75 N 4.6056 7.9759 116.6037 54.0988 39.1508 175.0680 76 I 4.1037 7.5406 120.1420 61.2762 37.9249 175.2785 77 V 4.3101 8.5639 125.3870 64.4346 32.4739 175.1155 78 Y 5.0386 7.2044 116.1098 55.8175 41.7741 172.9542 79 I 5.3113 8.5176 120.1200 59.7214 40.5223 174.9574 80 S 4.8806 9.2449 120.6884 56.3064 67.2546 173.0008 81 R 4.3777 8.6613 119.0509 56.2618 30.3942 176.9657 82 G 4.6505 8.5324 112.5421 44.6894 0.0000 172.2884 83 K 4.8013 8.4789 118.8345 54.5084 35.6488 176.1077 84 L 4.1108 8.3565 121.1544 55.4240 41.2156 176.9514 85 A 4.2816 8.1660 122.9163 51.2063 20.0003 177.6473 86 A 4.1738 8.3923 119.9828 52.8082 18.4478 177.6979 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 11 V 8.05 4.06 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 0.99 0.00 0.00 0.93 0.00 0.00 12 Q 8.53 4.06 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 13 R 9.19 4.11 0.00 1.83 1.86 0.00 3.33 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 1.73 1.68 0.00 14 P 0.00 4.20 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 2.20 0.00 15 L 7.81 3.99 0.00 1.66 1.82 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.63 0.00 2.87 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 8.25 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 3.98 0.00 1.60 1.08 -0.15 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.13 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 20 N 8.59 4.51 0.00 2.77 2.91 0.00 0.00 6.98 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 21 S 8.03 4.58 0.00 3.99 3.89 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 22 L 7.20 4.37 0.00 1.68 1.67 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.69 4.45 0.00 2.85 2.99 0.00 0.00 6.82 7.45 0.00 0.00 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 5.02 0.00 3.96 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 25 P 0.00 5.03 0.00 2.20 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 2.19 2.07 0.00 26 V 9.27 5.07 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 0.82 0.00 0.00 1.02 0.00 0.00 27 I 8.94 4.97 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 1.03 0.00 0.00 28 I 9.05 4.69 1.96 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 1.17 1.08 0.87 0.00 0.00 29 K 8.15 4.46 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.10 1.25 7.81 30 L 8.47 5.09 0.00 1.66 1.67 1.14 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.55 4.21 0.00 1.64 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.48 7.81 32 G 9.63 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 33 D 7.93 4.73 0.00 2.84 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 34 R 7.21 4.21 0.00 1.99 1.83 0.00 3.22 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 35 E 8.46 5.12 0.00 1.94 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 36 F 9.32 5.21 0.00 3.02 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 8.69 5.05 0.00 1.76 1.79 0.00 3.18 0.00 0.00 3.18 7.18 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 8.26 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 7.78 4.74 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 8.75 4.39 0.00 1.87 1.75 1.07 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.99 4.27 0.00 1.65 1.83 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.63 7.81 42 S 7.76 4.67 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 7.96 5.86 0.00 3.10 3.04 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 0.00 0.00 0.00 44 D 8.53 4.87 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 8.49 4.17 0.00 1.57 1.75 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.33 4.60 0.00 3.37 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.32 3.39 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 48 N 8.39 4.87 0.00 3.02 2.74 0.00 0.00 6.77 6.12 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 49 L 8.99 5.35 0.00 1.49 1.50 0.88 1.00 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 50 V 8.89 4.85 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 1.06 0.00 0.00 0.92 0.00 0.00 51 L 8.85 5.36 0.00 1.61 1.53 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.20 5.13 0.00 2.63 2.71 0.00 0.00 7.21 7.77 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 53 D 8.50 4.59 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 4.95 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 55 E 9.18 5.05 0.00 2.07 2.01 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 2.33 2.19 0.00 56 E 9.31 4.26 0.00 1.75 1.66 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 1.89 1.47 0.00 57 L 8.38 5.11 0.00 1.47 1.39 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.64 4.28 0.00 1.89 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 2.16 2.32 0.00 59 D 9.81 4.04 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.28 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 61 E 8.51 4.15 0.00 1.95 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 2.23 2.21 0.00 62 V 8.30 3.76 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 0.92 0.00 0.00 0.96 0.00 0.00 63 T 8.33 4.26 4.20 0.00 0.00 0.00 0.00 0.00 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 64 R 7.25 4.35 0.00 1.84 1.71 0.00 3.33 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 65 R 8.77 4.74 0.00 1.72 1.87 0.00 3.42 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 66 L 8.97 4.14 0.00 1.61 1.78 1.02 0.96 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 67 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.84 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 1.24 0.00 0.00 69 V 8.81 4.51 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 0.63 0.00 0.00 0.81 0.00 0.00 70 L 8.48 4.97 0.00 1.61 1.56 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.57 4.32 1.70 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.25 0.69 0.00 0.00 72 R 8.49 4.38 0.00 1.81 1.98 0.00 3.16 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.73 0.00 73 G 9.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.48 0.00 2.79 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 75 N 7.98 4.61 0.00 2.86 2.89 0.00 0.00 6.86 6.93 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 76 I 7.54 4.10 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.89 0.00 0.00 77 V 8.56 4.31 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 0.91 0.00 0.00 0.96 0.00 0.00 78 Y 7.20 5.04 0.00 3.00 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 79 I 8.52 5.31 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.91 0.00 0.00 80 S 9.24 4.88 0.00 3.85 3.99 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 81 R 8.66 4.38 0.00 1.73 1.92 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 82 G 8.53 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.80 0.00 1.80 1.75 0.00 1.48 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.47 7.81 84 L 8.36 4.11 0.00 1.79 1.73 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.17 4.28 1.28 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 0.00 0.00 0.00 86 A 8.39 4.17 1.25 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 0.00 0.00 0.00