NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3619 8.3344 115.2910 57.6880 63.8126 172.6091 2 N 4.3337 8.3052 118.9805 53.3029 39.0928 173.8159 3 I 4.2878 8.0954 120.6984 61.6916 37.5859 176.6454 4 I 4.4468 7.9722 115.8412 60.8699 39.2416 176.2950 5 K 4.5826 8.0584 116.8361 56.4025 32.8058 176.2704 6 Q 4.2188 8.0827 121.4176 57.5249 29.9189 175.7969 7 L 4.9499 7.6330 117.3992 53.2755 41.8932 176.3647 8 E 5.4094 7.8573 112.2448 56.2519 33.3446 176.7581 9 Q 4.9582 8.3671 117.1580 56.7243 29.3891 176.6592 10 E 4.1924 7.5948 118.5317 57.6770 30.0644 176.2461 11 Q 4.1845 8.2564 115.9999 57.0873 29.6483 176.9882 12 M 3.1859 8.6341 122.0421 55.4826 29.6204 176.9420 13 K 4.4133 7.6012 115.0817 56.6095 33.6838 177.6643 14 Q 4.4707 8.5254 120.4231 56.4699 25.9903 173.9672 15 D 4.5942 8.6306 118.1329 54.3249 40.2625 179.9568 16 V 3.1352 7.3177 117.3131 60.5933 27.3690 171.0651 17 P 4.3721 0.0000 0.0000 62.8376 30.6289 176.6205 18 S 3.4132 8.6339 116.8837 58.4259 62.9821 175.0792 19 F 3.9783 6.2332 123.2194 59.7822 39.3355 176.0896 20 R 4.7110 7.7049 119.2934 54.3246 32.4126 173.9815 21 P 3.9245 0.0000 0.0000 60.7677 32.0278 176.1463 22 G 3.9254 9.1246 106.3976 45.7860 0.0000 172.4818 23 D 4.0940 7.8442 128.2293 53.8776 40.4708 176.9339 24 T 3.8710 8.7302 105.6677 63.5737 68.6474 174.6031 25 V 3.5044 7.3894 121.3750 63.4654 32.0097 175.9167 26 E 4.6061 8.3721 123.8619 54.4515 29.0071 174.4624 27 V 3.8182 7.7176 116.1073 61.0914 32.2597 176.3707 28 K 4.8811 8.9593 125.4595 56.7800 32.7058 178.3027 29 V 3.7840 8.1314 126.8378 61.2904 32.5170 173.2299 30 W 5.3274 7.1279 116.7153 58.2791 30.8813 174.6367 31 V 4.4148 8.6326 118.6600 62.9764 32.1047 171.6894 32 V 4.3515 8.1402 116.7136 62.2019 34.4136 173.1986 33 E 4.0918 8.2712 120.6433 56.9120 29.2287 175.5670 34 G 3.6892 7.8346 107.8547 43.5857 0.0000 175.2251 35 S 4.4066 8.1991 121.5292 57.6319 62.7462 170.6093 36 K 4.4968 7.2866 118.9076 55.0297 33.9523 175.2194 37 K 3.7898 8.8153 118.8544 57.5629 32.3435 177.2573 38 R 4.1855 8.3524 125.2108 56.5114 27.6716 176.1099 39 L 4.4720 8.3153 116.6615 55.2119 45.3665 175.5955 40 Q 4.0685 8.1358 118.7815 56.0845 29.5765 176.5029 41 A 4.6382 8.1947 128.5919 51.6432 20.1011 175.5455 42 F 4.6098 9.1118 110.6647 57.9211 39.4757 173.1774 43 E 4.3639 8.4397 119.8755 56.1439 32.0108 174.3295 44 G 4.4938 7.9546 106.8483 45.0000 0.0000 172.7122 45 V 4.3596 7.8475 116.3734 60.5663 34.0906 172.1953 46 V 4.0604 8.7786 124.7646 63.0161 32.2059 175.7024 47 I 5.4515 7.7979 126.0741 60.9133 40.2985 173.7477 48 A 4.5229 7.8276 129.0560 54.1320 24.4389 175.7973 49 I 5.2318 8.0423 118.7400 60.6660 35.7441 176.3542 50 R 3.6503 8.8409 125.1933 57.3720 27.3311 175.4800 51 N 4.3725 8.0005 113.1163 54.1254 39.1328 173.6840 52 R 4.3835 7.8845 116.8587 56.0734 33.5624 173.0439 53 G 4.4325 8.4999 107.3422 43.9673 0.0000 174.3167 54 L 4.9813 8.3291 122.7724 54.2961 42.5720 175.0869 55 H 4.4162 8.4200 116.5438 57.8056 29.3466 177.5863 56 S 4.5425 7.4722 114.9920 58.8319 62.9180 175.5033 57 A 4.4853 8.0637 130.9093 49.9886 18.7193 176.8117 58 F 4.9737 8.5557 116.4098 56.5814 40.4655 175.1154 59 T 4.5769 8.2773 115.6961 62.9651 72.0018 175.0015 60 V 3.7525 8.8546 123.5934 64.0233 31.9640 177.8871 61 R 4.2433 8.1445 115.3814 56.4930 33.4341 174.9808 62 K 4.1114 7.9380 117.1452 56.3199 30.8951 177.1693 63 I 3.5161 7.8548 123.1343 64.0239 37.5906 177.0929 64 S 3.5770 7.5826 111.0977 58.9970 61.3828 171.5928 65 N 4.6998 7.5486 116.5545 53.1540 40.3753 174.8223 66 G 3.6489 8.6314 114.3483 48.2567 0.0000 173.9751 67 E 3.7894 8.0193 119.2879 57.3817 30.0276 177.9511 68 G 3.8659 8.4494 112.7804 44.4597 0.0000 172.7737 69 V 3.8424 8.4433 117.3384 65.6302 32.7621 176.1701 70 E 4.7320 7.4630 120.7078 56.1859 34.9499 179.1769 71 R 4.1944 8.4871 126.2158 56.9873 32.2620 172.5369 72 V 3.6214 9.1704 114.7811 61.9739 32.7601 169.4152 73 F 3.5620 8.5242 115.3369 57.2998 38.2625 173.7869 74 Q 4.9907 7.8671 122.5032 56.3217 30.9226 172.1379 75 T 4.4101 8.0962 119.1026 59.9273 68.7411 173.9666 76 H 4.2442 8.6562 124.6630 56.3560 28.8501 174.4412 77 S 4.9131 7.6844 116.4206 55.7228 64.9353 172.4678 78 P 4.8474 0.0000 0.0000 62.8980 32.3782 175.1100 79 V 4.4046 8.1766 116.1813 60.8307 33.2992 174.1077 80 V 3.6713 8.6339 114.7648 63.9747 31.9712 176.7059 81 D 5.0240 7.5672 117.0483 52.1798 38.5572 174.5409 82 S 5.3234 7.3708 113.7580 57.5353 66.1507 171.6798 83 I 3.7782 5.4200 121.5404 59.5757 40.3389 173.8288 84 S 3.9525 8.0141 119.3872 58.5381 63.2432 174.5444 85 V 4.9669 7.7351 121.4402 60.3009 34.0754 172.9487 86 K 4.4377 8.3297 119.4063 56.2946 34.3771 174.2707 87 R 4.9530 8.0544 115.0237 57.0062 32.8721 175.3370 88 R 4.3680 7.6317 119.0683 56.7887 33.2682 176.6402 89 G 3.7171 8.9675 105.9987 45.3861 0.0000 173.1254 90 A 4.1998 8.2574 124.3279 51.6973 17.2509 177.1282 91 V 3.3717 7.4065 121.7763 63.3583 33.1428 172.5575 92 R 4.2918 8.0616 121.4653 55.4155 35.5288 175.3898 93 K 4.2579 7.7054 122.6046 57.2246 33.9701 174.5381 94 A 4.6475 7.8179 131.5652 50.9396 19.5353 177.2809 95 K 5.2049 6.5430 128.7416 56.2627 33.5837 172.6281 96 L 4.4957 8.1432 124.5180 54.5668 41.6250 175.5078 97 Y 4.1776 7.9258 124.6494 57.2965 34.4840 170.3073 98 Y 4.0977 6.5462 122.7955 56.4256 40.5288 174.2872 99 L 3.8690 7.3925 130.1889 53.7642 43.7169 177.3823 100 R 4.2288 7.0822 132.3713 52.8147 29.4313 178.6190 101 E 3.4657 9.4707 126.5275 58.7396 28.5284 174.9074 102 R 3.8328 8.5431 118.4274 57.9368 30.7387 176.8590 103 T 4.3230 8.7175 112.7282 61.3564 68.6234 175.0114 104 G 3.8943 9.3806 114.9130 45.7832 0.0000 174.2963 105 K 4.3229 7.1679 114.4177 55.7354 34.0437 175.2125 106 A 4.4636 7.8411 121.4079 50.0752 20.0406 175.0163 107 A 4.6894 7.9006 123.5408 50.6972 22.5084 175.4124 108 R 3.7279 8.2462 116.6907 60.7478 29.7869 177.4086 109 I 3.8869 7.9497 115.4606 62.6611 38.5002 177.8711 110 K 4.1342 7.5054 121.2945 58.8599 32.1108 177.3668 111 E 4.1292 8.9540 117.4488 56.4310 30.2711 176.6934 112 R 3.8946 8.5957 114.7660 56.5398 27.8680 175.9682 113 L 4.5527 7.4709 117.1135 53.1886 45.2969 175.2626 114 N 4.4166 8.9384 122.9607 54.1596 38.7538 174.1811 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 S 8.33 4.36 0.00 3.85 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 2 N 8.31 4.33 0.00 2.92 2.68 0.00 0.00 6.93 7.05 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 3 I 8.10 4.29 1.88 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 0.92 0.92 0.00 0.00 4 I 7.97 4.45 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.92 0.00 0.00 5 K 8.06 4.58 0.00 1.90 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.30 1.34 7.81 6 Q 8.08 4.22 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 7.51 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 7 L 7.63 4.95 0.00 1.65 1.61 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.86 5.41 0.00 2.14 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 2.30 2.35 0.00 9 Q 8.37 4.96 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 10 E 7.59 4.19 0.00 2.15 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 2.35 2.24 0.00 11 Q 8.26 4.18 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 12 M 8.63 3.19 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 13 K 7.60 4.41 0.00 1.92 2.13 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.58 7.81 14 Q 8.53 4.47 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.14 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 15 D 8.63 4.59 0.00 2.78 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 16 V 7.32 3.14 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 0.72 0.00 0.00 0.87 0.00 0.00 17 P 0.00 4.37 0.00 1.97 1.72 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 18 S 8.63 3.41 0.00 3.92 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 19 F 6.23 3.98 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 20 R 7.70 4.71 0.00 1.90 1.93 0.00 3.44 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 21 P 0.00 3.92 0.00 2.15 1.99 0.00 3.85 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 2.11 2.19 0.00 22 G 9.12 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 23 D 7.84 4.09 0.00 2.98 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 3.87 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 1.20 0.00 0.00 25 V 7.39 3.50 2.30 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 0.85 0.00 0.00 1.03 0.00 0.00 26 E 8.37 4.61 0.00 2.14 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 2.16 2.30 0.00 27 V 7.72 3.82 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 0.86 0.00 0.00 0.98 0.00 0.00 28 K 8.96 4.88 0.00 1.81 1.90 0.00 1.26 0.00 0.00 2.48 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.32 7.81 29 V 8.13 3.78 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 0.57 0.00 0.00 -0.20 0.00 0.00 30 W 7.13 5.33 0.00 3.30 3.33 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 31 V 8.63 4.41 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 0.73 0.00 0.00 0.96 0.00 0.00 32 V 8.14 4.35 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 0.72 0.00 0.00 0.97 0.00 0.00 33 E 8.27 4.09 0.00 1.96 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 2.48 2.24 0.00 34 G 7.83 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 35 S 8.20 4.41 0.00 4.01 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 36 K 7.29 4.50 0.00 1.76 1.69 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.63 7.81 37 K 8.82 3.79 0.00 1.86 1.90 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.50 7.81 38 R 8.35 4.19 0.00 1.79 1.93 0.00 3.44 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 39 L 8.32 4.47 0.00 1.66 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.14 4.07 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 41 A 8.19 4.64 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 42 F 9.11 4.61 0.00 3.27 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 43 E 8.44 4.36 0.00 1.80 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 2.10 2.27 0.00 44 G 7.95 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 4.36 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 0.59 0.00 0.00 1.02 0.00 0.00 46 V 8.78 4.06 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 0.81 0.00 0.00 0.93 0.00 0.00 47 I 7.80 5.45 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.53 0.89 0.00 0.00 48 A 7.83 4.52 1.03 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 0.00 0.00 49 I 8.04 5.23 1.80 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 1.58 0.21 0.95 0.00 0.00 50 R 8.84 3.65 0.00 1.91 1.87 0.00 3.07 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 51 N 8.00 4.37 0.00 2.86 2.87 0.00 0.00 6.92 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 52 R 7.88 4.38 0.00 1.79 1.93 0.00 3.27 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 53 G 8.50 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.98 0.00 1.69 1.65 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.42 4.42 0.00 3.28 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.47 4.54 0.00 3.98 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 57 A 8.06 4.49 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 58 F 8.56 4.97 0.00 3.20 3.32 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 0.00 0.00 0.00 59 T 8.28 4.58 4.27 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 1.23 0.00 0.00 60 V 8.85 3.75 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 0.92 0.00 0.00 0.83 0.00 0.00 61 R 8.14 4.24 0.00 2.13 1.95 0.00 3.27 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.00 62 K 7.94 4.11 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.50 7.81 63 I 7.85 3.52 1.56 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 1.27 0.58 0.79 0.00 0.00 64 S 7.58 3.58 0.00 4.01 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 65 N 7.55 4.70 0.00 2.77 2.65 0.00 0.00 7.26 7.98 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 66 G 8.63 3.65 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 0.00 0.00 0.00 67 E 8.02 3.79 0.00 1.91 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 2.30 2.40 0.00 68 G 8.45 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 0.00 0.00 0.00 69 V 8.44 3.84 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 0.83 0.00 0.00 0.94 0.00 0.00 70 E 7.46 4.73 0.00 1.92 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 2.07 2.07 0.00 71 R 8.49 4.19 0.00 1.55 1.85 0.00 2.94 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 0.00 72 V 9.17 3.62 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 0.81 0.00 0.00 0.91 0.00 0.00 73 F 8.52 3.56 0.00 3.30 3.26 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 74 Q 7.87 4.99 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.75 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 75 T 8.10 4.41 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 1.06 0.00 0.00 76 H 8.66 4.24 0.00 3.18 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.68 4.91 0.00 4.19 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 78 P 0.00 4.85 0.00 2.12 2.57 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.40 0.00 79 V 8.18 4.40 2.36 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 0.90 0.00 0.00 0.97 0.00 0.00 80 V 8.63 3.67 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 0.76 0.00 0.00 0.95 0.00 0.00 81 D 7.57 5.02 0.00 2.86 2.90 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 82 S 7.37 5.32 0.00 4.13 3.82 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 83 I 5.42 3.78 1.55 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.65 0.00 0.00 84 S 8.01 3.95 0.00 3.75 3.66 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 85 V 7.74 4.97 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 0.85 0.00 0.00 1.24 0.00 0.00 86 K 8.33 4.44 0.00 1.72 1.78 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.54 7.81 87 R 8.05 4.95 0.00 2.01 2.05 0.00 3.36 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 88 R 7.63 4.37 0.00 1.90 1.45 0.00 3.33 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 89 G 8.97 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 0.00 0.00 0.00 90 A 8.26 4.20 1.26 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 0.00 0.00 91 V 7.41 3.37 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 0.92 0.00 0.00 0.95 0.00 0.00 92 R 8.06 4.29 0.00 1.89 1.55 0.00 3.42 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 93 K 7.71 4.26 0.00 1.81 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.34 7.81 94 A 7.82 4.65 1.32 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 0.00 0.00 0.00 0.00 0.00 95 K 6.54 5.20 0.00 1.99 1.84 0.00 1.67 0.00 0.00 2.00 0.00 0.00 3.34 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.57 1.82 7.81 96 L 8.14 4.50 0.00 1.89 1.76 0.97 0.77 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 97 Y 7.93 4.18 0.00 3.29 3.37 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 98 Y 6.55 4.10 0.00 2.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 3.87 0.00 1.57 1.33 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.08 4.23 0.00 1.68 1.35 0.00 3.68 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.67 0.00 101 E 9.47 3.47 0.00 2.07 1.90 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 2.27 2.19 0.00 102 R 8.54 3.83 0.00 1.87 1.98 0.00 3.33 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 103 T 8.72 4.32 4.19 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 1.21 0.00 0.00 104 G 9.38 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 0.00 105 K 7.17 4.32 0.00 1.72 1.65 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.35 7.81 106 A 7.84 4.46 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 0.00 107 A 7.90 4.69 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 0.00 108 R 8.25 3.73 0.00 1.89 1.76 0.00 3.23 0.00 0.00 3.39 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 109 I 7.95 3.89 1.87 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 1.41 0.70 0.91 0.00 0.00 110 K 7.51 4.13 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.50 7.81 111 E 8.95 4.13 0.00 2.01 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 0.00 2.63 2.26 0.00 112 R 8.60 3.89 0.00 1.95 2.02 0.00 3.19 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 113 L 7.47 4.55 0.00 1.57 1.81 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.94 4.42 0.00 2.69 2.69 0.00 0.00 6.97 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