NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6102 8.3049 118.3215 55.0758 32.2836 174.9061 2 I 3.9134 8.9120 126.2410 58.9856 38.0354 173.8700 3 Q 5.2500 8.7836 121.9261 53.3217 32.8749 171.9438 4 P 4.5336 0.0000 0.0000 64.6871 31.1371 175.8729 5 Q 4.3212 8.9194 123.7098 55.9368 29.4488 173.5378 6 T 4.2678 8.3473 114.8661 64.1502 69.6084 172.9999 7 Y 5.0999 8.6358 121.8119 56.4922 40.6780 175.1653 8 L 4.9824 8.9591 122.0562 52.6329 45.7358 175.8549 9 E 4.3003 8.8850 125.0496 56.6443 31.0745 176.2063 10 V 4.6887 7.9297 119.6802 58.9813 32.6301 176.7326 11 A 4.6201 8.9334 134.1519 50.9168 17.3545 175.7256 12 D 4.2196 7.7510 118.6056 53.5147 42.4600 174.3048 13 N 5.0376 8.2061 113.9069 53.3247 37.5765 177.2935 14 T 3.8422 7.7746 119.0742 66.2387 68.6221 176.2405 15 G 4.0042 8.0883 108.7032 44.9724 0.0000 173.1319 16 A 4.3255 7.5970 122.3784 52.0945 19.4401 176.5807 17 R 4.5449 9.1569 121.3878 57.0348 32.9041 176.5230 18 K 4.9024 7.9381 117.8419 54.3274 35.7235 175.3239 19 I 4.7576 8.4015 118.1744 59.1308 40.8741 173.9007 20 M 4.5057 8.0371 124.3071 53.6980 34.2591 174.5664 21 C 4.4360 9.2966 127.5720 59.8418 32.1388 173.5231 22 I 4.1308 8.6790 126.5847 61.8242 39.2180 175.5388 23 R 4.5072 7.4645 118.5885 55.5396 33.0992 173.2943 24 V 4.3222 8.6230 125.8757 60.7290 32.8561 176.7378 25 L 4.3412 8.6063 126.4687 54.6140 39.6235 175.4637 26 K 4.1399 8.3953 120.8254 56.3704 33.2844 178.2444 27 G 3.9916 8.7928 111.4621 44.3711 0.0000 173.8836 28 S 3.8906 8.5855 112.9867 61.5081 62.2590 175.9251 29 N 4.6632 7.6601 115.8971 50.9696 37.4209 174.3487 30 A 3.8663 8.3538 121.0880 53.8929 18.5077 178.4159 31 K 3.7455 8.3382 123.1892 58.6888 32.4943 176.4672 32 Y 5.1652 7.1477 114.8154 56.1300 42.2616 174.0412 33 A 4.7249 9.7847 124.3772 51.3911 21.1083 176.5963 34 T 4.7973 9.7966 119.7440 60.1722 70.9463 173.2696 35 V 3.9569 8.3362 120.2261 63.0878 31.8810 176.6521 36 G 3.8476 9.3005 112.8356 45.5514 0.0000 173.5198 37 D 4.6484 7.9121 120.1177 54.2788 42.2965 175.6880 38 V 4.7840 8.3303 121.2328 61.8550 34.0123 174.5247 39 I 5.0564 8.3337 118.3511 59.4194 41.2858 174.3889 40 V 4.3644 8.6579 124.3706 63.0088 32.9256 174.6192 41 A 5.1334 9.2825 127.0772 50.4615 23.0818 175.3311 42 S 4.5049 8.9750 116.1206 57.5973 64.5401 173.2800 43 V 4.1788 7.8516 125.9171 62.3808 31.7814 176.4106 44 K 4.2891 8.9895 128.9062 58.2371 32.9568 177.1586 45 E 4.9335 7.9724 115.5607 55.4970 33.4695 176.0151 46 A 4.8355 9.9651 121.3070 50.4959 19.0130 178.4126 47 I 4.4525 9.1939 124.5944 59.5328 41.0418 170.0393 48 P 3.7607 0.0000 0.0000 66.9944 30.6518 176.1819 49 R 4.3578 8.6689 114.6853 55.1797 31.3778 177.2217 50 G 3.7541 7.5298 106.6940 45.8965 0.0000 174.4401 51 A 4.0964 8.7692 126.5485 54.2682 18.6534 177.9153 52 V 4.5529 7.3511 112.6693 60.9963 34.6412 174.7239 53 K 4.6670 8.8669 124.9891 53.8797 34.9495 175.5077 54 E 4.2465 8.5161 120.0240 58.0381 29.9964 176.1912 55 G 4.1603 9.5910 115.6867 46.3992 0.0000 172.0091 56 D 4.6437 7.8437 125.0041 53.0060 41.5676 176.6461 57 V 4.0635 7.9551 124.5604 63.3455 31.9729 175.7194 58 V 4.6131 9.5059 121.0289 59.9534 36.6611 174.1160 59 K 4.9622 8.5442 121.6518 55.9404 34.2563 175.5204 60 A 5.0480 8.8184 123.0046 51.0708 23.4491 175.4181 61 V 4.6434 8.3724 120.5749 59.4169 33.8213 175.4040 62 V 3.8736 8.1799 125.6154 63.8346 31.8402 176.4215 63 V 3.6638 9.5104 121.8418 61.6798 34.6534 175.9682 64 R 4.3401 7.5029 117.4712 54.1381 34.5078 174.5235 65 T 4.7493 8.0938 110.4850 59.7005 71.9662 174.8969 66 K 4.0396 8.8404 124.1538 59.0942 32.6829 177.3024 67 K 4.4119 7.3517 119.5804 55.4991 32.7706 176.8925 68 E 4.3934 8.7811 124.4969 56.6642 30.8973 175.8713 69 I 4.4383 8.6383 123.0914 59.7187 39.1610 175.1539 70 K 4.5152 8.7186 127.1456 56.2101 32.9472 176.5675 71 R 4.8168 8.9030 123.9516 53.4391 32.5368 175.4893 72 P 3.9053 0.0000 0.0000 65.6259 31.1391 176.5761 73 D 4.5655 8.0771 116.6472 53.2275 39.4367 177.2641 74 G 3.9402 8.8099 109.8365 45.6476 0.0000 174.1642 75 S 4.4671 7.7356 113.9906 58.4931 63.6969 172.5329 76 A 5.6047 8.1631 123.2881 49.7897 22.6429 175.3384 77 I 4.6009 8.1595 118.5386 59.4396 41.4623 173.9262 78 R 4.9809 8.4821 124.8953 54.1697 32.0470 176.0182 79 F 4.6991 8.7534 121.2902 57.8394 40.2496 177.0199 80 D 4.9943 9.1791 119.9337 55.0132 44.2350 174.8353 81 D 5.0853 8.2509 115.8524 51.5094 43.3932 174.2943 82 N 5.0738 8.6317 116.0674 51.5708 39.6633 173.6204 83 A 5.1208 9.4564 123.5000 50.9424 23.6531 174.3244 84 A 5.2283 8.8600 120.0778 50.2864 23.7421 175.0098 85 V 4.5084 8.1733 118.3256 60.9599 33.8821 175.2412 86 I 4.2871 8.3558 129.1518 61.6188 38.1670 175.1674 87 I 4.7927 8.8155 125.5128 59.6759 40.8661 174.2666 88 N 4.9585 8.9066 122.4348 51.9102 40.8651 175.7307 89 N 4.3909 8.6356 120.7936 56.3055 38.7193 176.5496 90 Q 4.0742 8.1027 114.7310 56.6570 29.1097 176.5193 91 L 4.0606 9.7621 117.2529 54.4820 40.0458 174.0941 92 E 4.3182 7.8006 118.9284 54.7941 30.6966 174.2307 93 P 4.8269 0.0000 0.0000 62.6266 31.8631 177.7299 94 R 3.9649 8.2438 122.8342 58.4492 30.1390 177.2253 95 G 3.9533 7.2876 106.1193 45.0137 0.0000 173.0869 96 T 4.5191 8.6543 106.8135 61.0640 70.1801 173.4653 97 R 4.5188 7.3229 119.1711 55.4407 34.0047 174.0084 98 V 3.8435 7.4830 115.7518 61.4653 33.5214 172.5548 99 F 4.7669 8.2271 124.8054 56.9291 40.3186 176.6854 100 G 4.0653 8.8639 110.4946 44.0959 0.0000 170.7311 101 P 4.8828 0.0000 0.0000 63.1528 32.6563 175.7082 102 V 4.5968 8.6739 111.4872 59.4600 36.5619 174.4822 103 A 4.7554 8.5383 126.2275 51.9995 18.8512 179.2486 104 R 3.9101 8.8350 119.1724 59.0318 29.3470 178.8993 105 E 3.9478 8.4753 119.2196 59.6515 28.8299 179.1653 106 L 4.0245 8.1918 119.4221 57.5391 41.6274 179.2298 107 R 3.9616 8.3084 119.0380 59.6280 29.8661 178.0560 108 E 4.0290 8.2883 116.5128 59.7011 29.5323 178.9688 109 K 4.4255 8.0820 114.6564 55.6298 33.3375 177.1676 110 G 3.7777 8.4423 107.6264 46.7465 0.0000 174.0766 111 F 4.7860 7.8228 112.2092 59.2730 41.1804 179.0056 112 M 3.6985 7.9333 121.7528 58.3292 32.8781 177.4013 113 K 3.9757 8.0876 118.4871 59.6862 32.1217 179.3465 114 I 3.7603 8.0783 119.2617 64.5703 37.1810 177.9783 115 V 3.6224 7.9766 119.0627 65.5433 31.0543 177.5673 116 S 4.1515 8.3817 115.1757 61.9977 62.9273 176.6332 117 L 3.9948 7.8430 120.9459 55.7513 41.6078 177.6550 118 A 4.3926 7.7232 121.7711 50.5368 19.6172 175.7771 119 P 4.4286 0.0000 0.0000 65.1522 32.0832 176.6259 120 E 4.6276 7.9030 118.7937 54.0196 33.3522 174.4621 121 V 4.7279 8.5517 126.6204 61.4201 32.5552 175.2709 122 L 4.3749 8.5122 126.8866 54.6909 41.7992 176.8507 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 4.61 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.33 0.00 2 I 8.91 3.91 1.99 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 1.47 0.44 0.94 0.00 0.00 3 Q 8.78 5.25 0.00 2.26 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 4 P 0.00 4.53 0.00 2.22 2.14 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 5 Q 8.92 4.32 0.00 2.11 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 6 T 8.35 4.27 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 1.27 0.00 0.00 7 Y 8.64 5.10 0.00 2.71 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 8 L 8.96 4.98 0.00 1.51 1.47 0.98 0.82 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 9 E 8.89 4.30 0.00 2.17 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 2.46 2.37 0.00 10 V 7.93 4.69 2.24 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 0.68 0.00 0.00 1.05 0.00 0.00 11 A 8.93 4.62 1.29 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 12 D 7.75 4.22 0.00 2.70 2.45 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 0.00 0.00 0.00 0.00 13 N 8.21 5.04 0.00 3.08 3.36 0.00 0.00 5.92 7.22 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 14 T 7.77 3.84 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 1.21 0.00 0.00 15 G 8.09 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 16 A 7.60 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 17 R 9.16 4.54 0.00 1.72 1.96 0.00 3.24 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 18 K 7.94 4.90 0.00 1.71 1.67 0.00 1.69 0.00 0.00 2.04 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.61 1.46 7.81 19 I 8.40 4.76 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 1.04 1.01 0.86 0.00 0.00 20 M 8.04 4.51 0.00 1.96 1.39 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.51 0.00 21 C 9.30 4.44 0.00 2.99 3.02 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 22 I 8.68 4.13 1.85 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 1.10 0.87 0.91 0.00 0.00 23 R 7.46 4.51 0.00 1.92 1.68 0.00 3.26 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 24 V 8.62 4.32 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 0.79 0.00 0.00 0.95 0.00 0.00 25 L 8.61 4.34 0.00 1.60 1.67 0.93 0.78 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 26 K 8.40 4.14 0.00 1.67 1.48 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.41 7.81 27 G 8.79 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 0.00 0.00 0.00 28 S 8.59 3.89 0.00 3.83 3.91 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 0.00 0.00 0.00 29 N 7.66 4.66 0.00 2.64 2.79 0.00 0.00 6.90 7.14 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 30 A 8.35 3.87 1.29 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 31 K 8.34 3.75 0.00 1.28 0.74 0.00 1.30 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.15 7.81 32 Y 7.15 5.17 0.00 2.83 2.94 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 33 A 9.78 4.72 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 34 T 9.80 4.80 4.28 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 1.28 0.00 0.00 35 V 8.34 3.96 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 0.75 0.00 0.00 0.87 0.00 0.00 36 G 9.30 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 0.00 0.00 0.00 37 D 7.91 4.65 0.00 2.92 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 38 V 8.33 4.78 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 1.05 0.00 0.00 1.07 0.00 0.00 39 I 8.33 5.06 1.98 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 1.09 0.38 0.94 0.00 0.00 40 V 8.66 4.36 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 0.95 0.00 0.00 0.93 0.00 0.00 41 A 9.28 5.13 1.16 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 0.00 0.00 42 S 8.97 4.50 0.00 3.88 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 4.18 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 0.90 0.00 0.00 0.93 0.00 0.00 44 K 8.99 4.29 0.00 1.43 1.86 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 1.17 7.81 45 E 7.97 4.93 0.00 1.99 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 2.32 2.32 0.00 46 A 9.97 4.84 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 47 I 9.19 4.45 2.14 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 1.48 0.99 0.94 0.00 0.00 48 P 0.00 3.76 0.00 2.22 1.94 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 49 R 8.67 4.36 0.00 1.83 1.99 0.00 3.40 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 50 G 7.53 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 0.00 0.00 0.00 51 A 8.77 4.10 1.36 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 0.00 0.00 52 V 7.35 4.55 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 0.83 0.00 0.00 0.92 0.00 0.00 53 K 8.87 4.67 0.00 1.82 1.67 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.36 7.81 54 E 8.52 4.25 0.00 1.95 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 2.32 2.32 0.00 55 G 9.59 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 0.00 0.00 0.00 56 D 7.84 4.64 0.00 2.65 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 57 V 7.96 4.06 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 0.72 0.00 0.00 0.92 0.00 0.00 58 V 9.51 4.61 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 0.74 0.00 0.00 0.99 0.00 0.00 59 K 8.54 4.96 0.00 1.72 1.73 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.44 7.81 60 A 8.82 5.05 1.16 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 0.00 0.00 61 V 8.37 4.64 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 0.45 0.00 0.00 0.30 0.00 0.00 62 V 8.18 3.87 2.19 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 0.87 0.00 0.00 0.89 0.00 0.00 63 V 9.51 3.66 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 0.55 0.00 0.00 0.79 0.00 0.00 64 R 7.50 4.34 0.00 1.19 0.66 0.00 2.77 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.15 0.00 65 T 8.09 4.75 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 1.18 0.00 0.00 66 K 8.84 4.04 0.00 1.75 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 67 K 7.35 4.41 0.00 1.88 1.72 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.41 7.81 68 E 8.78 4.39 0.00 2.01 1.94 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 2.27 2.28 0.00 69 I 8.64 4.44 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 1.01 0.00 0.00 70 K 8.72 4.52 0.00 1.65 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 71 R 8.90 4.82 0.00 1.89 1.86 0.00 3.16 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 72 P 0.00 3.91 0.00 2.18 2.22 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 73 D 8.08 4.57 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 74 G 8.81 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 0.00 0.00 0.00 75 S 7.74 4.47 0.00 4.05 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 76 A 8.16 5.60 1.18 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 77 I 8.16 4.60 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.39 0.97 0.00 0.00 78 R 8.48 4.98 0.00 1.88 1.83 0.00 3.07 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 79 F 8.75 4.70 0.00 3.21 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 80 D 9.18 4.99 0.00 2.56 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 81 D 8.25 5.09 0.00 2.64 2.62 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 82 N 8.63 5.07 0.00 2.83 2.93 0.00 0.00 5.57 8.04 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 83 A 9.46 5.12 1.11 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 84 A 8.86 5.23 1.15 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 85 V 8.17 4.51 1.95 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 1.00 0.00 0.00 0.80 0.00 0.00 86 I 8.36 4.29 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 1.20 0.34 0.97 0.00 0.00 87 I 8.82 4.79 2.01 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 1.37 0.98 1.01 0.00 0.00 88 N 8.91 4.96 0.00 2.80 2.66 0.00 0.00 7.57 6.59 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 89 N 8.64 4.39 0.00 2.75 2.87 0.00 0.00 7.00 7.83 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 90 Q 8.10 4.07 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.96 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 91 L 9.76 4.06 0.00 1.67 1.88 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.80 4.32 0.00 2.03 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 2.38 2.28 0.00 93 P 0.00 4.83 0.00 2.18 2.18 0.00 3.72 0.00 0.00 3.83 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 R 8.24 3.96 0.00 1.78 2.04 0.00 3.15 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 95 G 7.29 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 96 T 8.65 4.52 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 1.27 0.00 0.00 97 R 7.32 4.52 0.00 1.35 1.65 0.00 3.26 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 98 V 7.48 3.84 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 0.59 0.00 0.00 0.87 0.00 0.00 99 F 8.23 4.77 0.00 3.08 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 0.00 100 G 8.86 4.07 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 0.00 101 P 0.00 4.88 0.00 2.43 2.23 0.00 3.88 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 2.44 2.21 0.00 102 V 8.67 4.60 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 0.66 0.00 0.00 0.95 0.00 0.00 103 A 8.54 4.76 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 0.00 104 R 8.83 3.91 0.00 2.11 2.25 0.00 2.83 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 105 E 8.48 3.95 0.00 2.09 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 0.00 2.44 2.53 0.00 106 L 8.19 4.02 0.00 1.92 1.71 0.68 0.26 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 0.00 107 R 8.31 3.96 0.00 1.89 2.05 0.00 3.15 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 108 E 8.29 4.03 0.00 2.07 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 2.56 2.42 0.00 109 K 8.08 4.43 0.00 2.18 2.15 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.69 7.81 110 G 8.44 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 111 F 7.82 4.79 0.00 3.18 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 0.00 112 M 7.93 3.70 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 113 K 8.09 3.98 0.00 1.88 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 114 I 8.08 3.76 1.84 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 1.79 0.74 0.83 0.00 0.00 115 V 7.98 3.62 2.31 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 1.11 0.00 0.00 0.97 0.00 0.00 116 S 8.38 4.15 0.00 4.05 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 0.00 117 L 7.84 3.99 0.00 1.89 1.74 0.87 0.69 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 0.00 118 A 7.72 4.39 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 0.00 119 P 0.00 4.43 0.00 2.23 2.23 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 120 E 7.90 4.63 0.00 2.04 1.81 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 2.30 2.31 0.00 121 V 8.55 4.73 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 0.90 0.00 0.00 0.95 0.00 0.00 122 L 8.51 4.37 0.00 1.80 1.52 0.90 0.76 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