NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4180 8.3044 120.3284 54.6528 33.4753 174.3498 2 E 3.7986 8.3487 120.8475 55.2316 30.1255 174.7056 3 A 4.1021 9.2809 129.6380 52.7623 20.0109 177.2068 4 L 4.0347 8.5440 121.9397 57.0930 41.9872 178.9147 5 G 3.9230 9.6128 104.1684 44.7719 0.0000 172.4339 6 A 4.5550 7.3342 116.2083 50.8320 22.1200 176.5016 7 D 4.6515 8.9060 122.6247 53.6625 42.2552 175.6855 8 V 4.5845 8.4446 123.3415 61.3951 33.9883 175.0066 9 T 4.4470 7.7965 123.9281 61.7465 69.2898 174.4532 10 Q 3.9083 8.8553 126.0824 56.9335 28.8540 177.4942 11 G 3.9885 9.0619 110.4439 46.3359 0.0000 172.7102 12 L 5.0564 8.2679 120.6027 52.9386 45.8344 175.0001 13 E 5.1104 8.5735 118.5523 54.0157 34.5834 175.2933 14 K 4.0450 8.2303 122.3826 58.1559 32.3909 177.1288 15 G 4.0094 9.2507 115.6748 45.0104 0.0000 173.9147 16 S 4.3285 8.1049 116.2886 58.6131 64.2578 173.2168 17 L 5.1437 8.4145 122.8152 53.1939 43.1654 175.7081 18 I 4.6806 8.7738 117.2272 59.0099 41.7254 174.5722 19 T 4.4288 8.5439 118.9327 63.3409 69.9098 174.3083 20 C 4.7646 8.5366 126.4376 57.3910 31.5212 174.0280 21 A 4.5143 8.4242 133.1946 49.7669 15.6713 174.7080 22 D 5.1419 7.5639 119.5009 53.6358 40.9993 176.2131 23 N 4.9300 8.2024 114.3961 52.9320 37.5233 177.0437 24 T 3.9337 7.8210 111.4207 63.9677 69.0569 175.0304 25 G 3.9326 7.6256 109.2310 45.0837 0.0000 172.8773 26 A 4.7206 7.4371 123.4565 51.2364 19.9860 176.7869 27 R 4.3426 9.1138 122.9793 57.8294 32.0219 176.2668 28 E 5.1450 8.0605 119.1849 54.2198 32.5996 174.3911 29 L 5.1911 8.9775 126.3461 52.7612 45.5399 175.2917 30 K 4.9646 8.7586 123.7068 54.2637 34.7032 175.4772 31 V 3.8977 8.7094 128.9211 63.8466 31.8871 175.8546 32 I 4.2096 8.5614 127.9517 62.7772 39.1634 175.7804 33 S 4.7075 7.7541 115.1657 57.2102 68.2143 173.1437 34 V 4.5317 8.1761 120.3312 61.0236 33.8829 174.3230 35 H 4.1624 9.0920 128.5632 57.9626 30.0007 175.0649 36 G 3.8630 8.5706 113.2566 46.1653 0.0000 172.3217 37 Y 4.5043 7.7696 120.2551 56.1676 39.9049 175.1617 38 S 4.2597 7.0664 120.0170 56.8177 65.8105 173.1144 39 G 4.1338 7.9197 125.0999 45.2570 0.0000 173.6147 40 T 4.5339 8.1703 117.8779 59.7660 70.2586 172.4645 41 K 4.0023 8.4440 126.1130 58.4247 32.3060 176.6736 42 N 4.6684 9.0310 122.4863 53.3849 37.1938 174.6084 43 R 4.1007 7.6346 118.6487 55.9594 30.6901 175.4437 44 H 4.5248 8.6790 123.0627 54.4864 29.6765 173.0580 45 P 4.5137 0.0000 0.0000 63.2177 31.9200 175.3553 46 K 4.7503 8.0803 124.1500 55.7439 34.1029 175.9407 47 A 4.6684 8.9290 124.6217 50.5053 22.7471 175.4565 48 G 4.2251 8.7602 106.2647 44.7566 0.0000 171.4336 49 L 4.0833 8.6890 122.2516 56.9900 42.0757 177.8833 50 G 4.0869 9.0033 114.2648 45.3449 0.0000 172.7011 51 D 4.9046 7.9166 119.8669 53.0491 43.2103 175.3106 52 K 4.7943 8.6102 123.1157 55.1311 33.7860 175.1949 53 I 5.0137 8.4595 120.5135 59.3910 41.3009 174.7087 54 T 4.7175 8.5359 120.1610 63.1161 70.3436 174.0997 55 V 5.0348 8.8264 123.5587 61.7291 35.8167 173.1706 56 S 5.2293 8.7430 118.6705 56.3939 66.3868 173.5221 57 V 4.2443 8.2821 122.7818 62.8839 31.4316 176.6767 58 T 4.0327 8.7773 126.0820 65.9982 68.9378 175.6866 59 K 4.5586 8.9794 119.2333 54.2848 36.3194 177.2979 60 G 3.5312 8.3182 109.1460 45.3813 0.0000 172.6508 61 T 4.1442 7.8945 111.5219 60.6502 69.6950 173.6340 62 P 4.2314 0.0000 0.0000 66.2143 31.3450 178.4880 63 E 4.1103 8.0165 115.5974 59.7398 29.5220 178.8208 64 M 4.1939 7.7233 117.3162 57.1159 32.2171 177.3425 65 R 4.0261 7.5750 117.3624 57.6332 30.6783 177.4519 66 R 3.9905 8.4671 118.3408 56.6263 29.1889 176.8103 67 Q 4.2429 7.5345 117.7560 55.5877 30.3061 175.4021 68 V 4.4219 8.2963 122.7459 61.5941 32.4525 174.6589 69 L 4.9563 8.9384 127.7029 52.9180 46.3963 175.9703 70 E 4.8534 8.6178 119.3816 56.2234 31.6550 175.2713 71 A 4.9321 8.8003 123.0911 50.9802 23.9220 174.9342 72 V 4.5058 8.1384 117.9119 60.8988 34.9371 174.8330 73 V 4.0021 8.5405 128.1913 63.1793 31.4613 176.2123 74 V 3.9119 8.8328 129.4457 64.4003 33.0948 175.7788 75 R 4.1863 7.4383 117.2831 54.4814 34.8845 174.1415 76 Q 4.9356 7.8222 117.6729 55.2591 31.4890 175.8156 77 R 4.2575 9.2881 120.9068 58.6565 30.4351 177.8094 78 K 4.1950 7.8582 118.3762 55.6187 31.3328 175.2862 79 P 4.9564 0.0000 0.0000 62.8422 32.9196 175.0741 80 I 4.8769 8.5415 114.5837 59.2189 41.3801 173.9585 81 R 5.0175 9.1634 124.8637 55.0998 31.7520 175.6560 82 R 4.6212 8.8665 125.6651 54.5113 31.6337 175.8622 83 P 4.2192 0.0000 0.0000 66.0091 31.2511 176.8272 84 D 4.6462 8.1814 115.9533 53.1813 39.3259 178.3734 85 G 3.9992 8.5398 108.7844 46.5489 0.0000 174.8699 86 T 4.1205 7.3435 116.7715 63.7271 69.5281 173.9252 87 R 4.9900 8.4523 123.7965 55.1015 32.3385 175.9768 88 V 4.5427 8.6239 121.4950 61.0532 34.8100 174.3840 89 K 5.0829 8.4463 125.3969 55.3849 35.9336 175.2997 90 F 4.6831 8.8287 119.9558 55.5821 41.5756 176.7089 91 E 4.1009 8.9899 120.9868 59.0710 29.7662 175.4049 92 D 4.7533 7.7282 115.3356 52.5388 42.5695 173.4926 93 N 5.2588 8.7767 114.6174 51.8811 41.2410 173.9477 94 A 5.2346 8.8737 124.1150 50.6196 23.4332 174.6371 95 A 4.9782 9.1966 120.7781 50.2424 23.5181 175.2286 96 V 4.5358 8.1579 120.0598 60.7504 33.9045 175.3496 97 I 4.1979 8.3486 128.9566 61.7541 38.0384 175.3449 98 V 4.9076 8.5697 125.5063 61.3791 35.2685 175.2101 99 D 4.8261 8.1701 124.2469 51.9996 41.8000 176.3554 100 E 3.9348 8.7998 118.3661 59.3041 29.6567 177.9222 101 N 4.7610 8.5596 114.1491 52.6708 38.6966 174.7572 102 E 3.8352 8.0066 115.8157 57.2692 27.7286 173.5117 103 D 5.3059 8.2792 118.5061 50.8344 42.4585 174.2457 104 P 4.5969 0.0000 0.0000 63.4372 31.3746 176.4804 105 R 3.9121 8.6653 122.5009 58.6576 30.2445 176.6571 106 G 4.0131 7.6966 105.8235 44.8176 0.0000 172.5998 107 T 4.3383 8.6985 114.5602 64.3263 69.7292 175.4731 108 E 4.8096 8.0271 119.2779 54.3924 33.2054 175.2817 109 L 4.9068 8.5265 122.7520 53.5355 43.6463 175.8651 110 K 4.4402 8.1930 121.3975 55.6393 34.0196 177.5844 111 G 3.9331 8.9162 113.6075 43.7022 0.0000 170.5854 112 P 4.8824 0.0000 0.0000 63.0461 32.3641 175.2939 113 I 4.7701 8.3943 118.5408 59.7045 42.3403 174.4294 114 A 5.0914 8.0585 126.3950 51.1806 19.4162 179.1900 115 R 3.9636 8.9764 119.2001 59.4735 28.9964 179.4118 116 E 3.8738 8.1871 119.0194 59.1371 29.4720 179.1511 117 V 3.7585 7.8893 118.0342 65.8105 31.3707 177.6519 118 A 4.0415 7.3825 119.3441 55.7305 18.2003 179.1438 119 Q 3.9939 7.5205 113.7812 59.2237 28.8646 178.9555 120 R 3.8877 7.6874 117.9801 57.9969 31.3614 177.6387 121 F 4.7635 7.8069 121.1070 55.0698 38.9445 176.2740 122 G 3.6448 8.3829 112.5275 47.5864 0.0000 172.6730 123 S 4.0097 8.0589 117.4045 60.3969 62.7750 176.6917 124 V 3.6026 7.7833 120.8204 65.6209 31.7487 177.3665 125 A 4.1847 8.1111 120.8121 54.8229 19.1077 179.0487 126 S 4.4618 8.8361 113.3926 57.0470 62.1215 174.5070 127 A 4.3574 7.2705 119.8613 53.3497 24.2144 176.8217 128 A 4.2670 8.3075 120.7091 52.0317 19.1646 177.8892 129 T 4.1080 8.6844 120.3180 66.1459 69.0834 174.9843 130 M 4.8391 7.8956 119.9821 53.4330 35.6635 174.9460 131 I 4.7383 8.4096 123.0551 59.5945 40.2825 175.5702 132 V 3.9698 8.8535 127.2130 62.8734 31.5227 175.6466 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 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.35 3.80 0.00 1.93 1.75 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 2.24 2.33 0.00 3 A 9.28 4.10 1.24 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 4 L 8.54 4.03 0.00 1.66 1.75 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.61 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 0.00 0.00 0.00 6 A 7.33 4.55 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 7 D 8.91 4.65 0.00 2.65 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 8 V 8.44 4.58 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 0.85 0.00 0.00 1.01 0.00 0.00 9 T 7.80 4.45 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 1.22 0.00 0.00 10 Q 8.86 3.91 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 11 G 9.06 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 12 L 8.27 5.06 0.00 1.61 1.50 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.57 5.11 0.00 1.89 1.79 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 2.21 2.23 0.00 14 K 8.23 4.05 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 15 G 9.25 4.01 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 0.00 16 S 8.10 4.33 0.00 3.90 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 17 L 8.41 5.14 0.00 1.49 1.58 0.95 0.75 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 18 I 8.77 4.68 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.88 0.00 0.00 19 T 8.54 4.43 4.22 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 1.20 0.00 0.00 20 C 8.54 4.76 0.00 2.96 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 21 A 8.42 4.51 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 22 D 7.56 5.14 0.00 2.77 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 23 N 8.20 4.93 0.00 2.95 3.04 0.00 0.00 5.71 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 24 T 7.82 3.93 4.22 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 1.25 0.00 0.00 25 G 7.63 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 0.00 0.00 0.00 26 A 7.44 4.72 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 27 R 9.11 4.34 0.00 1.84 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.06 5.15 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 2.24 2.43 0.00 29 L 8.98 5.19 0.00 1.55 1.48 0.88 0.46 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 30 K 8.76 4.96 0.00 1.76 1.62 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.32 7.81 31 V 8.71 3.90 2.21 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 0.84 0.00 0.00 0.93 0.00 0.00 32 I 8.56 4.21 1.86 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 1.22 0.94 0.91 0.00 0.00 33 S 7.75 4.71 0.00 3.74 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 34 V 8.18 4.53 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 0.95 0.00 0.00 0.82 0.00 0.00 35 H 9.09 4.16 0.00 3.19 3.37 0.00 6.12 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 36 G 8.57 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.77 4.50 0.00 2.93 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 38 S 7.07 4.26 0.00 3.65 3.44 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 0.00 0.00 0.00 0.00 39 G 7.92 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.17 4.53 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 1.23 0.00 0.00 41 K 8.44 4.00 0.00 1.75 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 N 9.03 4.67 0.00 2.95 3.06 0.00 0.00 7.05 7.66 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 43 R 7.63 4.10 0.00 1.83 2.08 0.00 3.37 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 44 H 8.68 4.52 0.00 3.30 3.21 0.00 5.77 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 45 P 0.00 4.51 0.00 2.10 2.47 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 46 K 8.08 4.75 0.00 1.67 1.76 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.19 1.20 7.81 47 A 8.93 4.67 1.12 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 0.00 0.00 48 G 8.76 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 0.00 0.00 0.00 0.00 49 L 8.69 4.08 0.00 1.66 1.62 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.00 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 51 D 7.92 4.90 0.00 2.76 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 52 K 8.61 4.79 0.00 1.92 1.71 0.00 1.60 0.00 0.00 1.91 0.00 0.00 2.67 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.45 7.81 53 I 8.46 5.01 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.87 0.00 0.00 54 T 8.54 4.72 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 1.21 0.00 0.00 55 V 8.83 5.03 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 1.06 0.00 0.00 0.94 0.00 0.00 56 S 8.74 5.23 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 57 V 8.28 4.24 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 0.92 0.00 0.00 0.93 0.00 0.00 58 T 8.78 4.03 4.31 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 1.28 0.00 0.00 59 K 8.98 4.56 0.00 1.64 1.63 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 60 G 8.32 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.14 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 1.20 0.00 0.00 62 P 0.00 4.23 0.00 2.03 2.18 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 63 E 8.02 4.11 0.00 1.93 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 2.31 2.34 0.00 64 M 7.72 4.19 0.00 2.08 2.09 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 2.73 2.71 0.00 65 R 7.57 4.03 0.00 1.76 1.86 0.00 3.25 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 66 R 8.47 3.99 0.00 1.99 2.09 0.00 3.15 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.53 4.24 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.30 4.42 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.94 4.96 0.00 1.53 1.45 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.62 4.85 0.00 1.88 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 2.35 2.30 0.00 71 A 8.80 4.93 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 72 V 8.14 4.51 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 -0.16 0.00 0.00 73 V 8.54 4.00 2.18 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 0.76 0.00 0.00 0.91 0.00 0.00 74 V 8.83 3.91 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 0.79 0.00 0.00 0.91 0.00 0.00 75 R 7.44 4.19 0.00 1.52 1.24 0.00 3.36 0.00 0.00 3.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.39 0.00 76 Q 7.82 4.94 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.63 0.00 77 R 9.29 4.26 0.00 1.83 2.06 0.00 3.15 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.56 0.00 78 K 7.86 4.19 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 79 P 0.00 4.96 0.00 2.13 1.97 0.00 3.61 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 2.12 2.10 0.00 80 I 8.54 4.88 2.02 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 1.40 1.00 0.98 0.00 0.00 81 R 9.16 5.02 0.00 1.87 1.84 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 82 R 8.87 4.62 0.00 1.91 1.83 0.00 3.23 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 83 P 0.00 4.22 0.00 2.04 2.16 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 84 D 8.18 4.65 0.00 2.82 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 85 G 8.54 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 86 T 7.34 4.12 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 1.20 0.00 0.00 87 R 8.45 4.99 0.00 1.68 1.85 0.00 3.32 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 88 V 8.62 4.54 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 0.81 0.00 0.00 0.92 0.00 0.00 89 K 8.45 5.08 0.00 1.97 1.72 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.40 7.81 90 F 8.83 4.68 0.00 3.34 3.05 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 91 E 8.99 4.10 0.00 1.96 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 0.00 2.31 2.26 0.00 92 D 7.73 4.75 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.78 5.26 0.00 2.61 2.70 0.00 0.00 6.49 7.10 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 94 A 8.87 5.23 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 95 A 9.20 4.98 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.16 4.54 1.98 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 0.96 0.00 0.00 0.91 0.00 0.00 97 I 8.35 4.20 1.83 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 1.07 0.63 0.92 0.00 0.00 98 V 8.57 4.91 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 0.70 0.00 0.00 0.84 0.00 0.00 99 D 8.17 4.83 0.00 2.97 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 0.00 100 E 8.80 3.93 0.00 1.95 2.03 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 2.30 2.34 0.00 101 N 8.56 4.76 0.00 2.95 2.82 0.00 0.00 7.08 8.38 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 0.00 102 E 8.01 3.84 0.00 2.29 2.32 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 0.00 2.32 2.34 0.00 103 D 8.28 5.31 0.00 2.85 2.58 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 0.00 104 P 0.00 4.60 0.00 2.15 2.07 0.00 3.77 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 2.00 2.10 0.00 105 R 8.67 3.91 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.70 4.01 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 0.00 107 T 8.70 4.34 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 1.21 0.00 0.00 108 E 8.03 4.81 0.00 1.87 1.79 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 2.28 2.29 0.00 109 L 8.53 4.91 0.00 1.52 1.57 0.95 0.91 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 0.00 110 K 8.19 4.44 0.00 1.62 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.36 7.81 111 G 8.92 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 0.00 0.00 0.00 112 P 0.00 4.88 0.00 2.29 2.18 0.00 3.80 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 2.18 2.11 0.00 113 I 8.39 4.77 1.91 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 1.14 0.73 0.93 0.00 0.00 114 A 8.06 5.09 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.98 3.96 0.00 2.09 2.25 0.00 2.80 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.19 3.87 0.00 2.12 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 2.43 2.45 0.00 117 V 7.89 3.76 2.25 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 1.18 0.00 0.00 0.99 0.00 0.00 118 A 7.38 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 3.99 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 R 7.69 3.89 0.00 1.24 0.66 0.00 3.18 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 0.00 121 F 7.81 4.76 0.00 3.13 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 0.00 122 G 8.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.06 4.01 0.00 4.08 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 0.00 124 V 7.78 3.60 2.39 0.00 0.00 0.00 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 0.94 0.00 0.00 125 A 8.11 4.18 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 0.00 126 S 8.84 4.46 0.00 3.99 4.08 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 0.00 127 A 7.27 4.36 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 0.00 128 A 8.31 4.27 1.30 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 0.00 0.00 0.00 129 T 8.68 4.11 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 0.00 130 M 7.90 4.84 0.00 1.95 1.95 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 2.58 2.54 0.00 131 I 8.41 4.74 1.90 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 1.27 0.63 0.95 0.00 0.00 132 V 8.85 3.97 2.16 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 0.83 0.00 0.00 0.97 0.00 0.00