NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4161 8.3044 118.1948 55.3026 32.9906 177.0249 2 D 4.4315 7.9455 117.8206 52.9982 39.1705 174.4074 3 G 4.0944 7.8857 103.9494 45.0912 0.0000 170.3681 4 V 4.1834 8.2672 118.6723 61.2027 34.2709 175.9658 5 M 4.2175 7.8346 118.8628 54.0403 30.8673 175.2764 6 S 4.4634 8.1738 119.9269 56.8448 63.6669 173.8015 7 A 4.2452 8.7193 124.5356 55.1326 18.8269 177.9775 8 V 4.4654 7.7095 107.0390 60.9442 33.2988 176.2378 9 T 4.6388 8.4206 120.3663 62.0588 72.6724 174.0533 10 V 4.1973 8.5174 126.2673 63.0836 32.9445 174.2348 11 N 4.9659 8.6523 120.2870 52.0389 42.5719 174.0901 12 D 4.5792 8.7692 117.9729 57.8729 41.1964 178.9579 13 D 4.9056 7.5620 117.3733 53.2972 42.4423 174.8275 14 G 4.4130 7.6451 105.3178 47.1763 0.0000 172.6154 15 L 5.0427 7.7069 117.7343 54.8983 44.1360 175.1299 16 V 4.4989 8.9571 121.7682 62.4549 33.7899 174.5960 17 L 4.9928 8.3049 126.2023 53.7422 45.3644 175.4063 18 R 4.6601 8.2767 125.9588 56.3589 31.3852 174.5251 19 L 4.9371 8.6214 123.9181 54.6926 46.8067 175.0053 20 Y 5.1474 8.4385 117.7838 57.7012 40.6064 174.7545 21 I 4.4880 7.8144 123.8228 61.1925 39.0276 175.4185 22 Q 4.4568 8.6525 122.7446 53.8536 32.6149 173.2812 23 P 5.0843 0.0000 0.0000 62.5651 32.6360 174.5230 24 K 3.6783 8.9879 124.1254 56.8543 28.6193 173.7396 25 A 4.5180 8.4422 125.1850 51.9087 26.0602 177.4810 26 S 4.3889 10.0867 108.4966 58.3059 62.1163 168.5540 27 R 4.5296 7.1113 115.3896 54.9166 33.8881 175.8820 28 D 4.7769 8.3612 122.3620 54.2248 37.8915 173.9886 29 S 4.2000 7.9692 115.3739 57.6750 63.7000 172.9863 30 I 3.8646 8.3437 122.5508 60.4983 36.5530 175.9969 31 V 3.5673 8.1977 128.8218 64.1250 31.4284 176.5525 32 G 4.2426 7.2682 103.1494 44.7524 0.0000 173.7260 33 L 4.1970 7.7330 119.4535 56.8866 39.2124 177.1250 34 H 4.8221 7.7898 123.4570 55.6746 29.6126 174.1268 35 G 3.7059 8.9936 109.2411 47.2598 0.0000 169.5345 36 D 4.7285 8.9191 121.5310 53.7054 39.3360 174.1574 37 E 5.0680 7.3993 112.7632 55.8998 31.8894 176.0267 38 V 4.0695 8.0210 125.4189 61.5730 32.0126 175.0041 39 K 4.8362 8.5177 128.0166 56.5922 33.7307 176.3635 40 V 4.9067 9.3440 121.5804 62.2952 35.8023 172.6635 41 A 5.2238 8.1977 124.2080 50.8211 22.7114 175.2048 42 I 4.6661 8.5104 121.2524 60.0148 41.8973 176.0969 43 T 4.0597 8.7284 118.0533 63.0680 67.5928 173.8826 44 A 4.5121 7.5016 123.9581 50.4377 20.2281 175.4285 45 P 4.4708 0.0000 0.0000 61.8984 31.9655 175.1521 46 P 4.5621 0.0000 0.0000 63.3057 30.9806 176.2326 47 V 3.5975 7.5554 119.8880 62.2203 30.4675 176.4224 48 D 4.0267 8.9474 126.4334 55.9989 39.1703 179.4783 49 G 3.4031 8.0880 108.3307 48.3240 0.0000 174.3704 50 Q 4.3143 7.8833 118.6353 56.5267 30.6870 177.9886 51 A 4.0956 8.8367 121.0805 55.1805 18.2418 179.3838 52 N 4.3371 7.7560 115.3090 56.8122 37.2001 176.5666 53 S 4.0587 7.9194 116.8349 61.4557 62.6950 175.9616 54 H 4.1414 7.5784 117.8748 59.3358 29.0242 176.9840 55 L 3.9064 7.7980 121.5316 58.6492 41.7311 179.3259 56 V 3.5925 8.0575 117.6003 65.8915 31.5667 177.8185 57 K 3.8897 8.3185 118.5235 60.2111 31.9775 178.3140 58 F 3.9244 8.9659 120.6717 61.7932 39.3429 176.8011 59 L 4.4289 8.6761 118.4651 56.8840 41.4768 179.8229 60 G 3.5948 8.2368 106.9409 47.6082 0.0000 176.1197 61 K 3.9088 8.0242 121.6212 58.6701 31.8942 179.3867 62 Q 3.9056 7.6089 117.2578 58.9284 28.8801 178.5940 63 F 4.2437 8.1145 114.3251 56.0729 40.1373 175.7831 64 R 3.8919 7.7897 116.4426 57.4860 27.7735 175.0082 65 V 4.4082 8.2463 111.8451 61.9173 35.5401 174.2058 66 A 4.3289 8.2489 121.6616 52.1534 21.7981 177.0067 67 K 3.5866 8.5050 117.0651 60.5866 32.0849 178.5315 68 S 4.3611 8.0019 111.5784 60.1652 62.6850 173.7698 69 Q 4.5981 7.9224 114.6054 57.0663 34.7228 174.8970 70 V 4.2041 8.6990 120.7960 62.2419 32.6352 175.9777 71 V 4.4457 8.0744 126.2629 61.1391 34.9082 174.1804 72 I 3.7962 8.4652 129.0775 61.8248 37.1332 174.7957 73 E 4.2557 8.9601 128.3854 57.0791 29.2477 178.2742 74 K 4.3128 7.7526 117.0611 56.7364 37.1237 176.4812 75 G 4.2935 9.2557 107.2095 46.3647 0.0000 175.0651 76 E 3.8898 8.0552 117.4905 58.7873 29.7108 177.2261 77 L 4.3992 7.4804 120.2950 52.6492 41.6912 176.3381 78 G 3.7272 6.9820 105.2384 46.2063 0.0000 171.6491 79 R 4.0768 7.8566 117.9351 59.5187 31.4068 176.5310 80 H 3.8731 7.3608 119.5687 55.2758 28.9463 173.4931 81 K 4.9525 8.1632 124.4494 54.8081 36.1639 174.5648 82 Q 5.3147 8.7730 124.1149 54.3490 32.5438 174.6935 83 I 4.9602 8.3796 121.7238 59.6296 42.2722 173.9977 84 K 4.6719 8.6125 127.8483 55.0983 34.0024 175.3850 85 I 4.2994 8.7557 130.3519 60.2240 37.8308 175.1072 86 I 4.1120 8.3901 128.8187 62.6487 37.9116 177.7239 87 N 4.0000 8.7970 117.1260 54.3548 35.6170 174.3496 88 P 4.9028 0.0000 0.0000 62.4515 32.8094 175.1173 89 Q 4.6111 8.6802 115.5863 58.1539 34.6966 174.1276 90 Q 4.5323 7.6261 112.5530 55.0384 32.9114 173.1270 91 I 3.8596 7.4622 110.4766 59.3483 40.1841 172.4105 92 P 4.3744 0.0000 0.0000 61.2378 31.8670 175.9065 93 P 4.2343 0.0000 0.0000 66.2297 31.2083 178.2628 94 E 3.9689 8.3600 117.6236 59.7025 29.7209 179.1921 95 V 3.7432 7.8036 117.4267 65.3726 31.3817 177.3749 96 A 4.0929 7.4247 119.5180 54.1414 18.2037 178.9331 97 A 4.0582 7.6547 119.1185 54.5618 19.9659 178.7213 98 L 4.3325 7.4856 117.2186 53.1815 40.2162 177.7848 99 I 4.3800 7.0743 112.5338 61.7821 40.1718 174.7715 100 N 4.2464 7.8168 117.8072 53.5066 39.5103 175.3085 101 L 3.5204 7.7924 115.4552 54.7941 38.8873 173.3555 102 E 3.7777 8.0774 117.6511 56.6056 30.1996 178.2402 103 H 4.4715 8.5397 118.7495 55.5442 29.6709 175.0272 104 H 4.1387 8.5859 118.7409 56.8782 29.1474 172.3160 105 H 3.9031 8.9516 127.8518 55.7257 28.9563 174.0115 106 H 4.2913 8.5725 123.0575 55.2689 29.0381 174.9965 107 H 4.3800 8.2429 119.9685 54.8912 29.4402 174.7092 108 H 4.2848 8.9808 120.6080 56.9395 29.5121 174.6211 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 8.30 4.42 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 D 7.95 4.43 0.00 2.74 2.65 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 3 G 7.89 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 4 V 8.27 4.18 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 0.75 0.00 0.00 0.94 0.00 0.00 5 M 7.83 4.22 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 6 S 8.17 4.46 0.00 3.89 3.94 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 7 A 8.72 4.25 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 8 V 7.71 4.47 2.13 0.00 0.00 0.00 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 0.97 0.00 0.00 9 T 8.42 4.64 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 10 V 8.52 4.20 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 0.78 0.00 0.00 0.95 0.00 0.00 11 N 8.65 4.97 0.00 2.77 2.69 0.00 0.00 6.96 7.62 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 12 D 8.77 4.58 0.00 2.66 2.75 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 13 D 7.56 4.91 0.00 2.64 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 14 G 7.65 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.71 5.04 0.00 1.86 1.75 1.00 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 16 V 8.96 4.50 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 0.84 0.00 0.00 0.98 0.00 0.00 17 L 8.30 4.99 0.00 1.70 1.36 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.28 4.66 0.00 1.96 1.88 0.00 3.45 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 19 L 8.62 4.94 0.00 1.86 1.40 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.44 5.15 0.00 3.04 2.85 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 21 I 7.81 4.49 1.81 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 1.30 0.30 0.87 0.00 0.00 22 Q 8.65 4.46 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 23 P 0.00 5.08 0.00 1.92 1.98 0.00 3.86 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 24 K 8.99 3.68 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.47 7.81 25 A 8.44 4.52 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 26 S 10.09 4.39 0.00 3.97 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.11 4.53 0.00 1.67 1.76 0.00 3.29 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 28 D 8.36 4.78 0.00 1.58 1.61 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 29 S 7.97 4.20 0.00 3.86 3.71 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 30 I 8.34 3.86 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 1.08 0.00 0.00 31 V 8.20 3.57 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 0.68 0.00 0.00 0.95 0.00 0.00 32 G 7.27 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 0.00 0.00 0.00 0.00 33 L 7.73 4.20 0.00 1.83 1.80 1.01 0.80 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 34 H 7.79 4.82 0.00 3.14 3.21 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.99 3.71 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 0.00 0.00 0.00 36 D 8.92 4.73 0.00 2.85 2.82 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 37 E 7.40 5.07 0.00 1.95 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 1.95 2.04 0.00 38 V 8.02 4.07 2.26 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 1.11 0.00 0.00 0.99 0.00 0.00 39 K 8.52 4.84 0.00 1.75 1.72 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.42 7.81 40 V 9.34 4.91 2.04 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 0.81 0.00 0.00 0.89 0.00 0.00 41 A 8.20 5.22 1.17 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 0.00 0.00 42 I 8.51 4.67 1.81 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 0.98 0.75 0.79 0.00 0.00 43 T 8.73 4.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 44 A 7.50 4.51 1.22 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 0.00 0.00 0.00 45 P 0.00 4.47 0.00 2.10 2.02 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 46 P 0.00 4.56 0.00 2.17 2.16 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 47 V 7.56 3.60 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 0.90 0.00 0.00 0.98 0.00 0.00 48 D 8.95 4.03 0.00 2.83 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 49 G 8.09 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 4.31 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 51 A 8.84 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.76 4.34 0.00 2.77 3.16 0.00 0.00 6.97 7.50 0.00 0.00 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 7.92 4.06 0.00 3.75 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 H 7.58 4.14 0.00 3.19 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.80 3.91 0.00 1.93 1.83 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.06 3.59 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 1.07 0.00 0.00 0.99 0.00 0.00 57 K 8.32 3.89 0.00 2.04 1.93 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.63 7.81 58 F 8.97 3.92 0.00 3.33 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 59 L 8.68 4.43 0.00 1.94 1.66 0.97 0.88 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 60 G 8.24 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.02 3.91 0.00 1.70 1.80 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.60 7.81 62 Q 7.61 3.91 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 1.97 2.38 0.00 63 F 8.11 4.24 0.00 3.23 3.16 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 64 R 7.79 3.89 0.00 1.98 1.99 0.00 3.08 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 65 V 8.25 4.41 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 0.97 0.00 0.00 1.02 0.00 0.00 66 A 8.25 4.33 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 67 K 8.50 3.59 0.00 1.94 2.12 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.47 7.81 68 S 8.00 4.36 0.00 3.85 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 69 Q 7.92 4.60 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 70 V 8.70 4.20 2.14 0.00 0.00 0.00 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 0.90 0.00 0.00 71 V 8.07 4.45 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 0.86 0.00 0.00 0.98 0.00 0.00 72 I 8.47 3.80 1.85 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 1.32 0.63 0.88 0.00 0.00 73 E 8.96 4.26 0.00 2.00 1.83 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 2.28 2.41 0.00 74 K 7.75 4.31 0.00 1.65 1.67 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 75 G 9.26 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 0.00 0.00 0.00 0.00 76 E 8.06 3.89 0.00 2.04 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 0.00 2.25 2.32 0.00 77 L 7.48 4.40 0.00 1.64 1.67 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 78 G 6.98 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 0.00 0.00 0.00 79 R 7.86 4.08 0.00 1.44 2.04 0.00 3.37 0.00 0.00 3.62 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 80 H 7.36 3.87 0.00 3.07 3.03 0.00 5.76 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.16 4.95 0.00 1.77 1.52 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.65 7.81 82 Q 8.77 5.31 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 83 I 8.38 4.96 1.79 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 1.07 1.07 0.89 0.00 0.00 84 K 8.61 4.67 0.00 1.85 1.66 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.39 7.81 85 I 8.76 4.30 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.67 0.91 0.00 0.00 86 I 8.39 4.11 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.35 0.92 0.00 0.00 87 N 8.80 4.00 0.00 2.82 3.09 0.00 0.00 7.07 7.38 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 88 P 0.00 4.90 0.00 2.13 2.13 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 89 Q 8.68 4.61 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 90 Q 7.63 4.53 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 91 I 7.46 3.86 1.61 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 1.33 0.20 0.24 0.00 0.00 92 P 0.00 4.37 0.00 2.12 1.90 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 93 P 0.00 4.23 0.00 2.19 2.31 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 94 E 8.36 3.97 0.00 1.97 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 0.00 2.34 2.37 0.00 95 V 7.80 3.74 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 1.03 0.00 0.00 0.95 0.00 0.00 96 A 7.42 4.09 1.31 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 0.00 0.00 97 A 7.65 4.06 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 98 L 7.49 4.33 0.00 1.66 1.66 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.07 4.38 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.93 0.00 0.00 100 N 7.82 4.25 0.00 2.71 2.70 0.00 0.00 7.36 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 0.00 101 L 7.79 3.52 0.00 1.70 1.69 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.08 3.78 0.00 2.05 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 2.29 0.00 103 H 8.54 4.47 0.00 3.16 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.59 4.14 0.00 3.20 3.28 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.95 3.90 0.00 3.28 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.57 4.29 0.00 3.22 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.24 4.38 0.00 3.24 3.37 0.00 5.75 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 0.00 108 H 8.98 4.28 0.00 3.12 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00