NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2798 8.4444 120.2314 56.1561 31.0499 175.2875 3 S 4.2596 8.5080 118.8133 56.5005 63.5990 173.1531 4 F 4.1137 9.0992 131.5704 61.4686 39.7328 176.0748 5 L 3.7490 8.1369 119.3490 58.1792 41.8040 178.5031 6 L 3.9569 7.9911 120.3577 58.2132 41.9905 179.1578 7 S 4.1722 7.8875 113.7448 61.2266 63.0461 176.7034 8 K 3.7741 7.6336 122.0352 59.0336 31.7457 179.4192 9 V 3.6792 7.9137 118.8440 66.2025 31.5569 178.3456 10 S 4.2190 8.3433 113.9799 61.0605 62.7577 176.0803 11 F 3.9375 8.2400 124.5940 61.3216 39.1561 177.3394 12 V 3.5515 7.8777 117.4547 65.6443 31.1549 178.0038 13 I 3.8087 7.8640 119.8062 64.3181 36.9586 178.1284 14 K 3.9083 7.9722 120.2509 59.3410 31.9580 178.5300 15 K 3.6664 7.8658 119.8741 59.6958 32.0268 178.8661 16 I 3.7135 7.8070 119.9912 64.0402 36.9584 178.2300 17 R 3.8667 8.1324 119.8161 59.6286 29.9045 178.5948 18 L 3.9603 8.0396 118.6634 57.7953 41.3636 179.2364 19 E 3.9724 8.0425 117.5725 59.3935 29.5566 179.0254 20 K 4.2735 8.3350 115.9277 56.2572 32.2837 177.3402 21 G 3.8791 7.8623 107.3060 46.7822 0.0000 173.4211 22 M 4.6925 7.9426 118.6190 53.5520 33.9844 177.0891 23 T 4.3646 9.0195 113.8806 60.8399 71.7421 176.1361 24 Q 4.0134 8.4402 119.5492 59.0796 28.5601 178.7920 25 E 4.0125 8.1987 119.1118 59.5358 29.4527 178.8534 26 D 4.4426 8.0802 118.7547 57.4755 40.9692 178.8235 27 L 3.9394 8.0739 120.3947 57.9166 42.1507 178.5866 28 A 4.0260 8.5344 121.1746 55.5000 18.5009 178.9166 29 Y 4.0508 8.3571 118.1405 60.9963 38.6925 178.5753 30 K 3.8609 8.2889 117.9899 58.6480 32.2378 178.6916 31 S 4.4046 7.9526 113.5426 57.7311 63.2589 174.0502 32 N 4.1669 7.3618 116.5374 54.1546 36.2879 173.8600 33 L 4.7082 7.4410 116.6768 52.6783 44.7216 176.4700 34 D 4.5767 8.2906 118.8825 53.8216 43.0576 176.7041 35 R 3.9871 8.7636 126.0115 60.0761 30.1743 179.3270 36 T 3.8802 8.1136 108.5745 64.9475 68.5896 175.6582 37 Y 4.1565 8.0010 121.8833 60.4377 38.9158 177.7452 38 I 3.5997 7.7354 120.3450 64.3723 36.7406 178.0697 39 S 4.2444 8.2903 114.2922 61.6006 62.1593 176.5799 40 G 3.5797 8.4564 108.4974 47.8514 0.0000 175.6258 41 I 3.5772 7.6749 122.4589 64.1633 36.8940 178.2109 42 E 4.1451 8.0197 117.5266 58.1349 29.3881 178.3202 43 R 4.3961 7.3042 115.7087 55.1737 30.4513 175.8616 44 N 4.3341 7.8757 114.8507 54.7440 36.2526 174.8221 45 S 4.8016 8.1942 111.2102 58.0530 63.6694 174.2656 46 R 4.6598 7.5230 117.9840 54.5214 33.7819 174.2884 47 N 4.7705 8.6055 119.8282 52.5356 40.2427 173.9569 48 L 5.0018 8.3354 123.4484 51.6067 45.2150 176.9736 49 T 4.3918 8.3931 116.2560 60.9289 71.3717 175.7716 50 I 3.7431 8.1990 121.8797 64.5841 37.1066 178.8285 51 K 3.9955 8.0262 118.7835 59.5994 31.8261 179.4612 52 S 4.1739 8.1860 115.5554 61.2746 62.6776 176.4039 53 L 3.8163 7.9748 123.1692 58.1289 41.9574 178.6660 54 E 3.8424 8.4877 119.6106 59.1776 29.5336 178.7235 55 L 3.9617 8.0170 119.0360 57.8041 41.5985 179.6091 56 I 3.6678 7.8881 119.9189 64.7406 37.0939 178.4273 57 M 3.8815 8.1586 119.8636 58.0797 31.7740 178.8378 58 K 4.0144 7.9858 119.7616 59.4595 32.1918 179.2175 59 G 3.6200 7.9673 104.8687 47.4827 0.0000 174.9552 60 L 4.1973 8.0712 118.9832 54.2128 42.8155 176.3092 61 E 3.8107 7.7642 117.8626 57.6761 27.4338 174.7835 62 V 4.5128 7.7142 116.1500 59.3146 34.7037 176.7422 63 S 4.4754 8.3249 116.8806 57.8023 65.3700 175.0064 64 D 4.3453 8.6097 122.5208 57.7255 40.6085 179.0948 65 V 3.7730 7.9758 117.9472 66.3278 31.4870 177.9653 66 V 3.6098 7.7481 117.3805 65.8927 31.2752 177.5994 67 F 3.8539 8.2015 120.2922 61.5290 39.1626 177.2327 68 F 4.3647 8.3821 117.0432 60.2193 38.7725 177.6776 69 E 4.0158 8.6896 119.0870 59.7523 29.2074 179.2729 70 M 4.0302 8.0082 118.7431 57.9862 31.8945 178.4401 71 L 3.7849 7.7431 120.6863 58.1981 42.2613 179.0630 72 I 3.6965 7.9695 119.7608 64.2981 36.8578 178.0520 73 K 3.8267 7.6406 118.7708 59.6014 32.2339 177.9650 74 E 3.9815 8.2797 119.2689 59.5240 29.4093 178.8392 75 I 3.8281 7.8724 118.6272 64.0738 37.2312 177.5937 76 L 4.4179 7.9101 119.8809 55.7731 41.8865 177.5752 77 K 4.1291 7.7176 125.6259 54.8444 31.5903 182.0811 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 2 E 8.44 4.28 0.00 2.00 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 2.27 0.00 3 S 8.51 4.26 0.00 4.01 3.77 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 4 F 9.10 4.11 0.00 3.08 3.06 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 0.00 0.00 0.00 0.00 5 L 8.14 3.75 0.00 1.85 1.70 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.99 3.96 0.00 1.83 1.80 0.92 0.90 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 7 S 7.89 4.17 0.00 4.07 4.16 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 0.00 0.00 0.00 0.00 8 K 7.63 3.77 0.00 1.71 1.70 0.00 1.39 0.00 0.00 1.20 0.00 0.00 2.45 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.54 0.90 7.81 9 V 7.91 3.68 2.27 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 1.19 0.00 0.00 1.08 0.00 0.00 10 S 8.34 4.22 0.00 4.20 4.10 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 0.00 0.00 0.00 0.00 11 F 8.24 3.94 0.00 3.31 3.23 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 0.00 12 V 7.88 3.55 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 0.17 0.00 0.00 0.90 0.00 0.00 13 I 7.86 3.81 2.06 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 1.50 0.80 0.90 0.00 0.00 14 K 7.97 3.91 0.00 1.81 1.66 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.54 7.81 15 K 7.87 3.67 0.00 1.53 1.78 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.36 7.81 16 I 7.81 3.71 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.94 0.00 0.00 17 R 8.13 3.87 0.00 1.93 2.09 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 18 L 8.04 3.96 0.00 1.79 1.65 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.97 0.00 2.06 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 2.33 0.00 20 K 8.34 4.27 0.00 1.82 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.74 7.81 21 G 7.86 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 0.00 0.00 0.00 22 M 7.94 4.69 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 23 T 9.02 4.36 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 24 Q 8.44 4.01 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 25 E 8.20 4.01 0.00 2.06 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 2.40 2.48 0.00 26 D 8.08 4.44 0.00 2.99 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 27 L 8.07 3.94 0.00 1.78 1.83 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.53 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.36 4.05 0.00 3.00 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 30 K 8.29 3.86 0.00 1.94 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.78 1.68 7.81 31 S 7.95 4.40 0.00 3.90 3.90 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 32 N 7.36 4.17 0.00 2.91 2.86 0.00 0.00 6.83 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 33 L 7.44 4.71 0.00 1.72 1.71 1.11 0.90 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 34 D 8.29 4.58 0.00 2.72 2.60 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 35 R 8.76 3.99 0.00 1.92 2.02 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 36 T 8.11 3.88 4.29 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 1.24 0.00 0.00 37 Y 8.00 4.16 0.00 3.03 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.74 3.60 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.68 0.89 0.00 0.00 39 S 8.29 4.24 0.00 3.94 4.06 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 0.00 0.00 0.00 0.00 40 G 8.46 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.67 3.58 1.76 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.34 0.80 0.00 0.00 42 E 8.02 4.15 0.00 1.91 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 2.29 2.44 0.00 43 R 7.30 4.40 0.00 1.79 1.94 0.00 3.26 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 44 N 7.88 4.33 0.00 2.92 2.95 0.00 0.00 6.70 7.55 0.00 0.00 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 S 8.19 4.80 0.00 3.82 3.82 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 46 R 7.52 4.66 0.00 1.53 1.73 0.00 3.40 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 47 N 8.61 4.77 0.00 2.71 2.75 0.00 0.00 6.74 7.78 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 48 L 8.34 5.00 0.00 1.57 1.46 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.39 4.39 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 1.24 0.00 0.00 50 I 8.20 3.74 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.96 0.95 0.00 0.00 51 K 8.03 4.00 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 52 S 8.19 4.17 0.00 4.14 4.10 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 0.00 0.00 0.00 0.00 53 L 7.97 3.82 0.00 1.84 1.81 0.55 0.66 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 54 E 8.49 3.84 0.00 2.14 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 0.00 2.27 2.32 0.00 55 L 8.02 3.96 0.00 1.91 1.68 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.89 3.67 1.90 0.00 0.00 0.84 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 0.78 0.85 0.00 0.00 57 M 8.16 3.88 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.78 0.00 58 K 7.99 4.01 0.00 1.92 1.95 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 7.97 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.07 4.20 0.00 1.76 1.74 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.76 3.81 0.00 2.13 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 2.25 2.31 0.00 62 V 7.71 4.51 2.12 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 0.80 0.00 0.00 1.00 0.00 0.00 63 S 8.32 4.48 0.00 4.11 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 64 D 8.61 4.35 0.00 2.88 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 65 V 7.98 3.77 2.15 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 1.18 0.00 0.00 1.01 0.00 0.00 66 V 7.75 3.61 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 0.96 0.00 0.00 67 F 8.20 3.85 0.00 3.04 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 68 F 8.38 4.36 0.00 3.25 3.09 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 69 E 8.69 4.02 0.00 2.23 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 2.36 2.40 0.00 70 M 8.01 4.03 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.49 0.00 71 L 7.74 3.78 0.00 1.57 1.90 0.87 1.28 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 72 I 7.97 3.70 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.93 0.00 0.00 73 K 7.64 3.83 0.00 2.00 1.84 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 E 8.28 3.98 0.00 2.30 1.86 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 2.39 2.03 0.00 75 I 7.87 3.83 2.04 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 1.59 0.68 1.07 0.00 0.00 76 L 7.91 4.42 0.00 1.63 1.71 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.72 4.13 0.00 1.79 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.27 7.81