NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 3.8301 8.1227 123.3912 51.4107 19.2556 177.1980 2 L 4.0716 7.3960 114.7105 57.0624 41.8660 178.3816 3 W 4.5245 8.2261 117.8189 59.5132 28.7961 178.0261 4 Q 4.1828 7.3526 118.4872 58.7719 28.4259 177.9168 5 F 4.2867 8.6317 122.1307 61.6760 39.2599 177.2083 6 R 3.7758 7.8042 118.0670 59.3221 29.8200 178.5686 7 S 4.3408 8.0118 113.4482 61.2640 62.9169 175.8537 8 M 3.7371 8.1791 122.0055 58.2768 31.7298 178.4127 9 I 3.7124 7.4761 119.6626 64.1959 37.4857 178.0605 10 K 3.9622 7.8531 121.7092 59.1232 31.9201 177.8673 11 C 4.3531 9.0608 119.1004 59.5239 43.3237 175.3876 12 A 4.0830 7.5443 120.5500 53.4776 19.9001 177.9203 13 I 4.5075 8.1617 118.2031 59.0981 36.8491 174.8001 14 P 4.8569 0.0000 0.0000 64.6541 31.8972 177.5165 15 G 4.1536 7.9836 106.3838 45.0407 0.0000 172.8886 16 S 4.7188 8.4505 114.2605 56.6252 65.4065 172.8640 17 H 5.0366 9.1670 120.6956 53.4670 27.5662 173.4605 18 P 3.7268 0.0000 0.0000 64.7966 33.1103 177.9079 19 L 4.0037 8.3032 119.7862 59.0848 42.2445 179.3269 20 M 4.1033 7.9287 115.8396 58.6826 32.2709 177.4737 21 D 4.3203 8.4764 118.8577 56.9812 41.1471 178.1226 22 F 4.7062 7.9980 117.1113 57.6084 39.8166 176.1058 23 N 4.5824 7.6597 117.5312 54.4900 39.4658 174.0886 24 N 4.3469 8.6939 122.0039 54.7346 36.3594 172.8421 25 Y 4.6165 8.0958 118.6681 56.5728 40.7603 176.4862 26 G 4.1815 7.9291 117.1938 45.6025 0.0000 172.0832 27 C 4.4121 9.0327 114.1731 58.6423 40.7909 174.8413 28 Y 4.0093 8.7509 116.1720 58.6892 39.4181 175.3731 29 C 4.4439 8.0640 118.0664 59.1719 40.1352 172.0366 30 G 3.7317 9.1980 110.4605 43.5311 0.0000 172.2026 31 L 3.8870 8.4705 120.1680 56.4455 42.2947 178.6277 32 G 3.8919 8.5731 113.6818 45.1904 0.0000 172.3441 33 G 4.7919 7.7852 117.1370 45.9029 0.0000 171.9373 34 S 4.2930 7.1847 118.3025 58.0404 65.5797 175.4400 35 G 3.9504 8.4916 110.2573 44.9061 0.0000 172.6347 36 T 4.2293 8.3848 115.5458 62.2531 68.9897 173.2158 37 P 4.7234 0.0000 0.0000 63.4091 31.8343 176.7748 38 V 3.9122 9.3494 114.5567 62.3301 32.1968 175.9437 39 D 4.3878 7.6127 118.6009 51.5269 42.2568 176.1781 40 E 3.9121 8.9942 118.9073 59.7373 29.5301 179.2051 41 L 3.9437 7.8515 119.2275 58.3300 42.2321 178.0808 42 D 4.4369 8.8569 118.2831 57.8307 40.9460 178.7292 43 R 3.8513 8.2199 118.3434 59.1100 29.9989 178.1045 44 C 4.2390 8.2948 116.6969 60.3940 38.4453 175.6514 45 C 4.3601 8.2003 117.4718 59.6984 41.1709 175.2284 46 E 3.8631 7.9261 120.9673 59.6634 29.0898 178.9142 47 T 3.7623 8.0059 115.7616 67.0020 68.4795 175.7913 48 H 3.8934 7.9878 119.8179 59.3661 29.6882 176.6116 49 D 4.2801 8.7044 121.4092 57.8137 40.7338 178.6887 50 N 4.2911 8.3257 116.5941 56.3892 38.3988 176.8103 51 C 4.3582 8.0031 119.8553 60.0802 42.5269 175.0996 52 Y 4.0149 8.2697 118.7108 61.1764 37.1517 178.8770 53 R 3.9325 8.2229 119.0990 59.3498 30.6143 178.0022 54 D 4.3907 8.3205 118.6805 57.1353 40.7049 178.3218 55 A 3.0433 8.0937 121.6039 55.1364 18.1294 179.8111 56 K 3.7519 7.5856 115.0765 59.6923 32.0821 178.9499 57 N 4.4949 7.6266 115.7159 54.5045 38.8867 175.7929 58 L 3.6973 7.0078 120.4541 55.0998 41.9054 177.8941 59 D 4.4598 8.5824 122.9508 55.1222 39.7058 177.6163 60 S 4.0652 8.0030 116.2168 61.4051 62.8653 174.9259 61 C 4.5703 7.7936 119.5160 55.3948 38.9374 173.4235 62 K 3.7499 8.1155 123.3776 56.8847 33.3195 177.0968 63 F 5.1251 7.9001 118.6700 55.1801 41.8974 176.0070 64 L 3.8915 8.9305 123.1903 58.2057 41.6781 179.3171 65 V 3.8040 7.9199 117.2417 65.4273 31.6576 175.8995 66 D 5.7962 8.4571 118.9220 53.9218 40.9398 176.1888 67 N 4.4536 7.7920 117.6681 52.8730 39.4275 174.1621 68 P 3.8796 0.0000 0.0000 64.7970 31.5551 177.1059 69 Y 4.4036 8.2516 116.0254 59.1442 38.2374 176.8751 70 T 4.2876 7.5232 106.8503 60.9223 70.9240 173.6998 71 E 3.8755 8.3093 124.6812 56.5037 29.7523 175.5110 72 S 4.6798 8.5895 123.1444 57.4105 63.9569 172.9633 73 Y 4.9496 7.7606 122.4932 55.0717 40.6427 174.1746 74 S 5.1289 10.5105 115.8197 56.7746 64.3169 172.3538 75 Y 5.1989 8.7535 124.0151 55.5500 41.4681 174.4546 76 S 4.5299 9.1789 116.7165 57.0261 66.4939 172.4436 77 C 5.1362 8.5648 123.3605 54.1840 43.4489 173.9701 78 S 4.2548 8.1088 123.8582 56.6438 61.6731 173.9250 79 N 3.9643 8.1935 121.9390 55.1008 36.1904 172.0032 80 T 4.4208 8.0628 120.4758 63.7144 67.0159 172.0298 81 E 3.9508 7.7955 120.4374 57.1678 30.1884 175.9684 82 I 4.8853 8.0934 125.0858 60.2545 40.3362 175.1514 83 T 4.5750 8.5935 119.9267 62.7083 73.1816 172.7673 84 C 4.8621 8.9177 124.4325 55.1305 36.2524 171.9856 85 N 4.3189 8.5393 119.8545 53.3884 38.7434 176.1647 86 S 4.2110 9.1765 118.7300 60.4966 63.2441 175.9506 87 K 4.0727 8.2247 120.7448 60.2230 31.9397 176.8103 88 N 4.2675 7.7775 113.0861 52.2094 39.0693 175.8091 89 N 4.7149 9.0115 121.8680 52.2068 40.4677 175.0861 90 A 3.9605 8.5118 120.6697 55.9766 18.5317 180.3516 91 C 4.1233 8.0910 116.2276 59.9341 43.5912 175.1034 92 E 4.0062 8.7723 120.1698 59.5437 29.1226 179.3278 93 A 3.9150 8.4125 120.8188 55.1250 18.5885 179.3361 94 F 3.7627 8.1131 118.9380 61.6518 39.4351 177.3666 95 I 3.7335 7.9668 119.3293 64.3178 36.7251 177.6126 96 C 3.0782 8.1630 119.5345 59.3695 44.2717 175.1402 97 N 4.0438 7.8314 117.9085 56.7374 38.1626 176.3983 98 C 3.9391 7.7262 117.2395 60.4655 37.4614 176.2466 99 D 4.0186 7.6400 119.7733 56.9293 40.4523 178.6982 100 R 3.7681 7.9343 119.5147 59.5830 30.0916 178.4091 101 N 4.2320 8.2173 116.0659 56.2462 38.4488 177.3167 102 A 3.6950 7.6881 121.4618 54.7947 18.2071 179.4985 103 A 3.5745 7.7897 119.3209 55.3498 18.4976 179.4150 104 I 3.5653 7.7155 117.7780 64.7976 37.2380 177.4634 105 C 3.8999 8.6597 119.0309 60.0613 43.2472 175.8144 106 F 4.1718 8.0001 118.1397 60.7483 38.5815 177.5172 107 S 4.3809 8.0474 112.2729 61.7818 62.7733 176.5128 108 K 4.1187 8.0976 120.9085 57.7682 32.1063 177.8829 109 A 4.3140 7.4376 120.8604 51.0700 19.6452 178.0780 110 P 4.6249 0.0000 0.0000 62.7138 30.9815 177.4763 111 Y 4.3537 8.0144 120.6275 58.3911 40.2406 172.6596 112 N 4.8532 8.4653 126.0961 51.8290 39.3954 176.5125 113 K 4.2182 9.2189 124.1784 59.7034 32.2253 178.8617 114 E 4.0834 8.1472 113.5034 58.2801 29.5256 176.8632 115 H 4.3462 7.8608 116.7587 55.8724 29.2973 175.1955 116 K 3.9683 7.6685 122.0326 57.3548 32.5144 176.2060 117 N 4.3004 9.0156 120.8970 53.8626 36.8948 173.9924 118 L 3.7371 7.0146 117.3661 55.3940 42.6962 177.8391 119 D 4.6430 8.6935 124.2140 53.2598 40.2965 176.6705 120 T 3.8685 8.2636 117.5131 64.5682 68.5989 175.9724 121 K 3.8669 8.1056 120.8938 58.5148 32.2765 177.6124 122 K 4.1316 8.1630 118.2468 57.1911 32.7449 176.9350 123 Y 4.8623 7.9146 114.5396 57.7162 38.3736 175.0384 124 C 4.6125 8.0246 123.7058 57.2049 42.3877 173.7648 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 A 8.12 3.83 -0.33 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 2 L 7.40 4.07 0.00 2.05 1.92 1.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.23 4.52 0.00 3.64 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.35 4.18 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.64 2.12 0.00 5 F 8.63 4.29 0.00 3.26 3.34 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 6 R 7.80 3.78 0.00 1.98 2.29 0.00 3.39 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 7 S 8.01 4.34 0.00 4.31 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 0.00 8 M 8.18 3.74 0.00 2.11 1.47 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 9 I 7.48 3.71 1.99 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.23 1.21 0.00 0.00 10 K 7.85 3.96 0.00 2.07 2.05 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.41 7.81 11 C 9.06 4.35 0.00 3.19 3.35 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 12 A 7.54 4.08 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 13 I 8.16 4.51 2.00 0.00 0.00 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 1.41 0.76 0.97 0.00 0.00 14 P 0.00 4.86 0.00 2.06 2.17 0.00 3.71 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 15 G 7.98 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.45 4.72 0.00 3.88 4.02 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 0.00 0.00 0.00 17 H 9.17 5.04 0.00 3.09 3.16 0.00 5.67 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 18 P 0.00 3.73 0.00 2.23 1.96 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 19 L 8.30 4.00 0.00 1.82 1.72 1.03 0.84 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 20 M 7.93 4.10 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 21 D 8.48 4.32 0.00 2.23 1.59 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 22 F 8.00 4.71 0.00 3.05 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 23 N 7.66 4.58 0.00 2.83 2.95 0.00 0.00 7.22 8.44 0.00 0.00 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 N 8.69 4.35 0.00 3.03 2.95 0.00 0.00 6.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.10 4.62 0.00 2.97 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 26 G 7.93 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.03 4.41 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.75 4.01 0.00 3.28 3.11 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 29 C 8.06 4.44 0.00 3.45 3.36 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 30 G 9.20 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 31 L 8.47 3.89 0.00 1.62 1.64 0.95 0.99 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 32 G 8.57 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 0.00 0.00 0.00 33 G 7.79 4.79 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 0.00 0.00 0.00 34 S 7.18 4.29 0.00 3.90 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 35 G 8.49 3.95 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 0.00 0.00 0.00 36 T 8.38 4.23 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 1.24 0.00 0.00 37 P 0.00 4.72 0.00 2.01 2.05 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.70 0.00 38 V 9.35 3.91 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 0.68 0.00 0.00 0.73 0.00 0.00 39 D 7.61 4.39 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 3.91 0.00 1.95 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 0.00 2.32 2.40 0.00 41 L 7.85 3.94 0.00 1.50 1.60 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.86 4.44 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 43 R 8.22 3.85 0.00 2.07 1.89 0.00 3.13 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 44 C 8.29 4.24 0.00 3.40 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 45 C 8.20 4.36 0.00 3.30 3.38 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 46 E 7.93 3.86 0.00 1.16 1.77 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 2.01 1.64 0.00 47 T 8.01 3.76 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 1.14 0.00 0.00 48 H 7.99 3.89 0.00 3.10 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.70 4.28 0.00 3.06 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 50 N 8.33 4.29 0.00 2.94 2.89 0.00 0.00 6.77 7.19 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 51 C 8.00 4.36 0.00 3.16 3.18 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 0.00 0.00 0.00 0.00 52 Y 8.27 4.01 0.00 2.97 2.83 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 53 R 8.22 3.93 0.00 1.83 2.14 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 54 D 8.32 4.39 0.00 3.16 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 55 A 8.09 3.04 1.19 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 0.00 0.00 56 K 7.59 3.75 0.00 1.82 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.67 7.81 57 N 7.63 4.49 0.00 2.77 2.78 0.00 0.00 6.99 7.16 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 58 L 7.01 3.70 0.00 1.49 1.47 0.13 0.89 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 59 D 8.58 4.46 0.00 2.69 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 60 S 8.00 4.07 0.00 3.79 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 61 C 7.79 4.57 0.00 2.85 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 62 K 8.12 3.75 0.00 1.15 1.60 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.51 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.11 0.61 7.81 63 F 7.90 5.13 0.00 3.42 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 64 L 8.93 3.89 0.00 1.70 1.82 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.92 3.80 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 1.06 0.00 0.00 0.96 0.00 0.00 66 D 8.46 5.80 0.00 2.83 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 67 N 7.79 4.45 0.00 2.94 2.74 0.00 0.00 7.26 9.00 0.00 0.00 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 P 0.00 3.88 0.00 0.49 0.61 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 69 Y 8.25 4.40 0.00 3.21 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 70 T 7.52 4.29 4.38 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 1.42 0.00 0.00 71 E 8.31 3.88 0.00 2.14 1.80 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 2.31 2.37 0.00 72 S 8.59 4.68 0.00 3.97 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 73 Y 7.76 4.95 0.00 3.21 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 S 10.51 5.13 0.00 3.86 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 75 Y 8.75 5.20 0.00 3.11 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 76 S 9.18 4.53 0.00 3.76 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 77 C 8.56 5.14 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 78 S 8.11 4.25 0.00 4.06 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 79 N 8.19 3.96 0.00 2.89 2.93 0.00 0.00 7.37 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 80 T 8.06 4.42 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 1.23 0.00 0.00 81 E 7.80 3.95 0.00 2.05 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 2.40 2.44 0.00 82 I 8.09 4.89 1.89 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 1.45 0.96 1.00 0.00 0.00 83 T 8.59 4.57 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 1.23 0.00 0.00 84 C 8.92 4.86 0.00 2.79 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.54 4.32 0.00 2.85 2.84 0.00 0.00 6.59 7.31 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 86 S 9.18 4.21 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.07 0.00 1.85 1.95 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81 88 N 7.78 4.27 0.00 2.74 2.79 0.00 0.00 6.92 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 9.01 4.71 0.00 2.96 3.03 0.00 0.00 6.50 7.88 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 90 A 8.51 3.96 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 91 C 8.09 4.12 0.00 3.02 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 92 E 8.77 4.01 0.00 2.27 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 0.00 2.66 2.58 0.00 93 A 8.41 3.92 1.40 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 94 F 8.11 3.76 0.00 3.21 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 95 I 7.97 3.73 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.29 0.81 0.00 0.00 96 C 8.16 3.08 0.00 2.49 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 97 N 7.83 4.04 0.00 2.59 2.61 0.00 0.00 7.09 7.24 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 98 C 7.73 3.94 0.00 3.22 3.12 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 0.00 0.00 0.00 99 D 7.64 4.02 0.00 2.70 2.83 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 0.00 100 R 7.93 3.77 0.00 1.69 1.93 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 101 N 8.22 4.23 0.00 2.63 2.73 0.00 0.00 6.98 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.69 3.69 1.01 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 0.00 103 A 7.79 3.57 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 0.00 104 I 7.72 3.57 1.94 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 1.38 0.71 0.89 0.00 0.00 105 C 8.66 3.90 0.00 3.03 3.20 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 0.00 106 F 8.00 4.17 0.00 2.91 2.56 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 0.00 0.00 0.00 0.00 107 S 8.05 4.38 0.00 4.06 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 0.00 108 K 8.10 4.12 0.00 1.76 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.46 7.81 109 A 7.44 4.31 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 0.00 110 P 0.00 4.62 0.00 2.10 1.96 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 111 Y 8.01 4.35 0.00 2.92 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 0.00 112 N 8.47 4.85 0.00 2.98 3.32 0.00 0.00 6.79 7.09 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 0.00 113 K 9.22 4.22 0.00 1.88 1.96 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.56 7.81 114 E 8.15 4.08 0.00 1.96 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 1.96 2.13 0.00 115 H 7.86 4.35 0.00 2.60 2.28 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.67 3.97 0.00 2.04 1.69 0.00 1.86 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.71 1.74 7.81 117 N 9.02 4.30 0.00 2.84 2.87 0.00 0.00 6.86 7.88 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 0.00 118 L 7.01 3.74 0.00 1.75 1.56 0.80 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.69 4.64 0.00 2.83 2.69 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 0.00 120 T 8.26 3.87 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 1.26 0.00 0.00 121 K 8.11 3.87 0.00 1.74 2.01 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.46 7.81 122 K 8.16 4.13 0.00 1.66 1.36 0.00 1.63 0.00 0.00 1.37 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.66 1.17 7.81 123 Y 7.91 4.86 0.00 3.09 2.87 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 0.00 124 C 8.02 4.61 0.00 2.88 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