NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4703 8.2893 120.3271 55.4531 33.1251 174.3404 2 T 4.2660 8.2624 114.2658 58.3590 70.8117 171.9982 3 L 4.2892 9.2190 129.1691 55.1947 43.2428 177.2488 4 N 4.9188 9.3296 125.2763 52.7312 40.2418 174.3506 5 I 5.1422 8.2590 113.0605 60.1077 40.5681 174.4148 6 T 4.2939 8.4059 116.9985 65.4630 70.6890 175.2129 7 S 4.4063 8.8237 115.1884 57.8312 59.7550 171.8242 8 K 4.1525 8.7443 124.4166 58.6526 33.3704 177.8432 9 Q 4.1750 8.0937 113.1950 55.5168 29.8672 175.6139 10 M 3.8600 9.1336 116.7159 54.9882 31.7099 176.8874 11 D 4.6104 8.6094 123.6994 54.0775 41.7607 175.5768 12 I 4.3864 7.9590 113.4446 60.1622 39.1666 174.8063 13 T 4.7293 7.9088 110.9817 59.2961 72.3557 172.7819 14 P 4.0857 0.0000 0.0000 65.9928 30.7753 177.9030 15 A 4.0179 7.5631 118.6128 55.6820 17.8416 179.0703 16 I 3.7658 7.9099 115.0866 64.3463 37.5768 178.1357 17 R 3.8421 8.5752 118.8995 60.1022 29.9475 178.0883 18 E 3.9689 8.8681 118.9074 60.0226 29.5709 177.8078 19 H 4.1864 8.9621 119.0448 58.5725 29.8096 176.7630 20 L 3.3073 8.6563 120.6728 57.8866 41.7026 179.5338 21 E 3.8219 8.4368 118.1554 59.6552 29.4099 179.1877 22 E 3.9209 8.6593 118.8796 59.6438 29.5449 179.7944 23 R 3.8083 8.4573 118.2670 59.0272 30.0942 178.7859 24 L 3.8762 8.1615 120.1204 58.3042 41.9343 178.8335 25 A 4.0325 8.2977 119.4120 55.1116 18.6192 179.2325 26 K 4.1175 8.3818 118.6398 59.5190 32.5033 178.6404 27 L 4.6397 8.5364 118.4257 56.2435 41.3953 179.2898 28 G 3.6905 7.8573 106.2174 47.6113 0.0000 175.0017 29 K 4.0989 7.6768 120.0047 58.5108 32.5148 177.3779 30 W 4.1501 7.8197 117.8349 56.3953 29.8691 176.8595 31 Q 4.4509 8.5479 120.4548 55.4968 25.7803 175.4522 32 T 4.4143 7.0641 113.8734 62.8464 72.7416 173.9672 33 Q 4.3660 8.3079 120.8452 53.8572 29.8992 172.9437 34 L 4.1364 8.7164 125.8860 55.5969 42.0182 177.1786 35 I 3.8107 9.4578 126.5660 61.3554 36.5564 172.2823 36 S 3.7016 8.5570 123.5358 57.5093 60.3566 168.1934 37 P 5.0579 0.0000 0.0000 61.6307 33.5607 174.3419 38 H 5.9663 8.9504 118.1358 53.5669 34.1006 172.6903 39 F 4.3501 8.5857 117.5464 56.9808 42.3694 174.1813 40 V 4.2768 9.0243 126.8864 61.7255 31.0128 173.7241 41 L 4.8552 8.2215 128.1758 54.0841 44.0463 174.5352 42 N 5.3849 9.1778 121.3667 52.0518 43.7183 172.9682 43 K 4.8341 8.4688 120.8027 55.2175 36.0482 174.9608 44 V 4.2892 8.5470 114.1265 59.7883 36.0065 173.2694 45 P 4.1111 0.0000 0.0000 66.1418 31.1629 177.4337 46 N 4.6936 8.1438 111.5089 52.9457 39.5123 175.9651 47 G 3.9028 6.6708 107.6516 45.3760 0.0000 171.9949 48 F 5.0949 9.7260 122.8890 55.5615 42.9157 174.2999 49 S 5.2804 8.9120 118.6742 56.7022 64.9367 173.3211 50 V 4.8571 9.2433 124.8667 61.0772 35.1748 174.0260 51 E 4.8304 9.1374 126.1045 55.2036 33.1166 173.7079 52 A 4.0503 8.4549 128.8516 50.4557 22.1936 176.4143 53 S 4.7130 8.0388 116.5789 58.0127 66.6182 173.4622 54 I 4.8261 8.9935 126.0688 59.1784 41.2928 174.7129 55 G 4.5823 8.3484 110.3513 43.9264 0.0000 172.3588 56 T 5.0700 8.0105 108.3571 59.1905 71.9102 173.2668 57 P 4.2783 0.0000 0.0000 65.0069 31.5936 177.0572 58 L 4.4207 7.9441 116.8693 53.6146 42.5127 176.9260 59 G 4.6111 8.0074 117.1977 44.8500 0.0000 171.4477 60 N 4.5859 8.4984 121.8503 53.9482 39.3814 174.3597 61 L 4.5855 9.2867 123.8735 53.9348 43.6400 175.7258 62 L 5.0305 8.0617 119.7168 53.9902 46.2400 174.5562 63 A 4.5363 8.7571 122.1307 51.7838 23.3406 175.4353 64 S 5.0228 8.3374 110.1778 57.8741 65.3995 174.6514 65 A 4.8105 9.4021 124.7469 50.9982 23.1631 174.8384 66 T 5.1463 8.0791 114.8572 62.2339 71.8188 173.7295 67 S 4.6403 9.0780 120.0783 57.9876 68.0269 175.7751 68 D 4.6953 9.0260 119.9912 55.1299 41.1191 176.5697 69 D 4.8400 7.6976 118.7281 53.4823 42.1166 175.8898 70 M 3.5219 8.2844 121.9671 59.6558 31.9320 178.0713 71 Y 4.2654 7.8069 116.6747 60.7691 38.2279 178.5864 72 K 3.9071 8.0207 120.4884 59.1334 32.4164 178.4942 73 A 4.0223 8.9654 122.3277 55.3441 18.3635 179.7092 74 I 3.7382 8.1866 118.7184 64.4429 36.9107 178.0206 75 N 4.2959 8.7472 118.5873 56.6490 38.5991 176.5722 76 E 3.9243 8.9501 121.6035 59.2425 29.8378 178.4589 77 V 3.5268 8.2773 118.6740 66.4235 31.5299 177.4628 78 E 3.9203 8.6802 118.9307 59.3229 29.3132 178.5102 79 E 3.8751 7.7994 119.1912 59.0687 29.6956 178.8700 80 K 3.8588 8.1985 118.7694 59.4351 32.2029 178.9799 81 L 3.8003 8.3602 119.4273 57.9789 41.6203 179.4573 82 E 3.1271 8.3267 119.0107 58.9325 29.4606 178.5047 83 R 3.7763 8.1631 119.0111 59.6923 29.9794 178.3737 84 Q 3.8942 8.5076 117.7250 58.8919 28.6731 178.3929 85 L 4.0125 8.0072 120.3275 58.2338 41.6145 179.2436 86 N 5.0462 8.4511 118.0377 56.0406 38.7045 176.7784 87 K 3.9066 8.1714 121.3407 59.3936 32.0715 178.5710 88 L 4.2295 8.3085 118.9290 58.2297 42.0382 179.5262 89 Q 4.2042 8.4434 117.5707 59.3237 28.3549 177.9804 90 H 4.3790 8.4603 117.9597 56.0160 29.2195 177.9621 91 K 3.5761 9.2064 120.9070 56.9953 33.8245 174.4286 92 S 4.2606 8.4152 111.8008 59.0179 63.1713 173.7430 93 E 4.6009 8.3504 122.5873 56.3249 30.3104 176.8936 94 S 4.7096 7.3688 106.9019 58.4224 65.4898 178.7494 95 R 4.1215 7.3102 124.1533 56.7591 27.2460 173.8844 96 R 4.1110 7.4871 118.9654 55.4061 29.2797 176.5679 97 A 4.5326 7.5309 120.0783 51.4038 19.9748 176.3408 98 D 4.2549 7.4617 120.5398 55.6505 41.8227 172.5797 99 E 4.3033 8.4724 118.3939 54.7854 31.1688 175.8059 100 R 4.0013 7.8610 119.1996 55.6672 30.8934 174.8025 101 L 4.7489 8.1975 119.9395 54.3582 42.5541 175.7634 102 K 4.6258 7.7601 116.0148 54.8616 34.5904 175.1326 103 D 4.5777 7.6791 118.8953 52.6668 41.7717 173.9594 104 S 4.5263 8.5311 122.7271 59.2170 65.7524 176.5302 105 F 5.0460 8.4661 116.1610 57.7518 47.0249 173.3790 106 E 3.7452 8.3362 118.8462 55.0066 25.7413 174.0558 107 N 4.0909 7.8559 118.3062 53.5922 36.6924 175.4558 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 8.29 4.47 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.78 0.00 2 T 8.26 4.27 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 1.21 0.00 0.00 3 L 9.22 4.29 0.00 1.68 1.61 0.64 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4 N 9.33 4.92 0.00 2.30 2.64 0.00 0.00 6.20 7.32 0.00 0.00 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 I 8.26 5.14 1.94 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 1.38 0.97 0.99 0.00 0.00 6 T 8.41 4.29 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 1.20 0.00 0.00 7 S 8.82 4.41 0.00 3.98 4.11 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 0.00 0.00 0.00 0.00 8 K 8.74 4.15 0.00 1.89 1.96 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.39 7.81 9 Q 8.09 4.18 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 10 M 9.13 3.86 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 11 D 8.61 4.61 0.00 2.69 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 12 I 7.96 4.39 1.89 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 1.50 0.88 0.94 0.00 0.00 13 T 7.91 4.73 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 1.22 0.00 0.00 14 P 0.00 4.09 0.00 2.20 2.18 0.00 3.62 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 2.13 2.13 0.00 15 A 7.56 4.02 1.27 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 0.00 0.00 0.00 16 I 7.91 3.77 1.91 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 1.59 0.81 0.92 0.00 0.00 17 R 8.58 3.84 0.00 1.93 1.98 0.00 3.10 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 18 E 8.87 3.97 0.00 2.05 2.22 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 2.33 2.32 0.00 19 H 8.96 4.19 0.00 3.40 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.66 3.31 0.00 1.38 0.90 0.84 0.69 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 21 E 8.44 3.82 0.00 2.12 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 2.28 2.49 0.00 22 E 8.66 3.92 0.00 2.15 1.97 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 2.27 2.50 0.00 23 R 8.46 3.81 0.00 1.70 1.84 0.00 3.18 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 24 L 8.16 3.88 0.00 1.66 1.82 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.30 4.03 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 26 K 8.38 4.12 0.00 1.97 2.04 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 27 L 8.54 4.64 0.00 1.91 1.68 0.80 0.21 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 28 G 7.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.10 0.00 1.80 2.04 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.52 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.30 1.34 7.81 30 W 7.82 4.15 0.00 3.64 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.45 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 32 T 7.06 4.41 4.34 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 1.23 0.00 0.00 33 Q 8.31 4.37 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.12 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 34 L 8.72 4.14 0.00 1.56 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 35 I 9.46 3.81 1.78 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 1.12 1.31 0.91 0.00 0.00 36 S 8.56 3.70 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 5.06 0.00 2.21 2.18 0.00 3.78 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 2.16 1.99 0.00 38 H 8.95 5.97 0.00 3.21 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.59 4.35 0.00 3.11 2.97 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 40 V 9.02 4.28 2.28 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 0.97 0.00 0.00 0.88 0.00 0.00 41 L 8.22 4.86 0.00 1.97 1.61 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.18 5.38 0.00 2.84 2.66 0.00 0.00 6.24 6.83 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 43 K 8.47 4.83 0.00 1.46 1.61 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.32 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.06 0.92 7.81 44 V 8.55 4.29 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 0.48 0.00 0.00 0.90 0.00 0.00 45 P 0.00 4.11 0.00 1.99 2.09 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 46 N 8.14 4.69 0.00 2.69 2.84 0.00 0.00 6.84 7.65 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 47 G 6.67 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 0.00 0.00 0.00 48 F 9.73 5.09 0.00 3.01 2.95 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 49 S 8.91 5.28 0.00 3.92 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 50 V 9.24 4.86 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 1.09 0.00 0.00 1.04 0.00 0.00 51 E 9.14 4.83 0.00 2.00 1.82 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 2.10 2.30 0.00 52 A 8.45 4.05 0.11 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 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.04 4.71 0.00 3.62 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.99 4.83 1.84 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 1.18 1.00 0.93 0.00 0.00 55 G 8.35 4.58 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 56 T 8.01 5.07 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 1.24 0.00 0.00 57 P 0.00 4.28 0.00 2.07 2.19 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 58 L 7.94 4.42 0.00 1.59 1.73 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.01 4.61 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 0.00 0.00 0.00 60 N 8.50 4.59 0.00 2.59 2.86 0.00 0.00 7.04 7.85 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 61 L 9.29 4.59 0.00 1.62 1.47 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.06 5.03 0.00 1.45 1.43 0.88 0.64 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 63 A 8.76 4.54 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.34 5.02 0.00 3.80 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.40 4.81 1.21 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 0.00 0.00 0.00 66 T 8.08 5.15 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 1.24 0.00 0.00 67 S 9.08 4.64 0.00 3.75 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 68 D 9.03 4.70 0.00 2.69 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 69 D 7.70 4.84 0.00 2.80 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 70 M 8.28 3.52 0.00 1.74 1.51 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 71 Y 7.81 4.27 0.00 2.89 2.96 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 72 K 8.02 3.91 0.00 1.91 2.01 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.74 7.81 73 A 8.97 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 3.74 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.45 0.62 0.00 0.00 75 N 8.75 4.30 0.00 2.96 2.97 0.00 0.00 6.85 7.60 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 76 E 8.95 3.92 0.00 2.31 1.93 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 2.31 2.36 0.00 77 V 8.28 3.53 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 0.81 0.00 0.00 1.03 0.00 0.00 78 E 8.68 3.92 0.00 2.15 1.91 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 2.29 2.41 0.00 79 E 7.80 3.88 0.00 2.21 1.89 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 2.30 2.49 0.00 80 K 8.20 3.86 0.00 1.90 1.77 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.59 7.81 81 L 8.36 3.80 0.00 1.66 1.59 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.33 3.13 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.11 0.00 83 R 8.16 3.78 0.00 1.91 2.03 0.00 3.27 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 84 Q 8.51 3.89 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 85 L 8.01 4.01 0.00 1.25 1.36 0.49 0.56 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 86 N 8.45 5.05 0.00 2.96 2.87 0.00 0.00 6.42 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.17 3.91 0.00 1.95 1.79 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.61 7.81 88 L 8.31 4.23 0.00 1.73 1.73 0.94 0.04 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 89 Q 8.44 4.20 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 90 H 8.46 4.38 0.00 3.24 3.32 0.00 6.00 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.21 3.58 0.00 1.90 2.03 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.37 7.81 92 S 8.42 4.26 0.00 4.00 3.92 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 93 E 8.35 4.60 0.00 1.97 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 2.23 2.30 0.00 94 S 7.37 4.71 0.00 3.79 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.31 4.12 0.00 1.85 1.84 0.00 3.30 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 96 R 7.49 4.11 0.00 2.01 1.94 0.00 3.36 0.00 0.00 3.23 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 97 A 7.53 4.53 1.23 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 0.00 0.00 98 D 7.46 4.25 0.00 2.76 2.66 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 0.00 0.00 0.00 99 E 8.47 4.30 0.00 1.92 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 2.19 2.32 0.00 100 R 7.86 4.00 0.00 1.94 1.93 0.00 3.32 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 101 L 8.20 4.75 0.00 1.60 1.59 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.76 4.63 0.00 1.89 1.77 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.40 7.81 103 D 7.68 4.58 0.00 2.72 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 0.00 104 S 8.53 4.53 0.00 3.79 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 0.00 105 F 8.47 5.05 0.00 3.05 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.34 3.75 0.00 2.18 2.05 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 2.24 2.31 0.00 107 N 7.86 4.09 0.00 2.73 2.73 0.00 0.00 6.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00