NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.8168 8.2448 120.2601 59.5519 33.2966 174.6116 4 T 4.1626 7.9489 113.1978 63.1784 68.4489 174.0201 5 F 4.4085 7.7515 118.7991 57.0659 41.7059 174.8995 6 F 4.6008 8.0114 122.7152 59.5928 42.3500 176.1139 7 E 4.2011 8.3505 118.7050 56.5807 29.4143 175.4819 8 K 4.4967 7.7255 117.0170 56.4243 35.4586 175.9808 9 H 4.7809 7.1372 114.0444 56.8606 30.1752 177.1636 10 H 3.9098 7.9674 116.5629 58.1119 28.5035 176.0364 11 R 5.4207 8.1162 115.2513 55.1670 31.2026 176.8877 12 K 4.2234 8.7214 121.5340 58.5958 32.6694 178.1590 13 W 4.4560 8.3895 128.4008 60.7449 30.3550 177.3306 14 D 4.3175 8.1103 118.2534 55.9902 39.1034 178.1980 15 I 3.7933 7.2224 120.6929 63.6827 38.0085 177.4508 16 L 4.0643 8.6345 121.6447 57.2991 41.5690 177.9322 17 L 4.1451 7.8347 119.3349 56.0508 42.2497 177.1749 18 E 4.2827 8.1142 118.1046 57.0355 29.7819 177.0956 19 K 4.2599 7.7285 117.0373 58.3035 33.3495 178.0328 20 S 4.4777 8.2524 114.3459 59.9152 62.7012 176.0865 21 T 4.6854 7.6029 112.0447 61.5519 68.8862 174.5430 22 G 4.6826 8.0851 107.2040 45.1837 0.0000 173.9081 23 V 4.1158 7.6760 110.8296 62.1452 34.0112 176.2743 24 M 3.1864 8.3395 116.0321 55.5936 29.8276 176.7441 25 E 5.3944 8.0664 125.0931 57.0635 29.7307 178.5406 26 A 4.0623 8.0503 121.0817 54.5655 18.7897 177.8426 27 M 4.4903 7.5960 112.6867 55.8012 34.0148 175.3678 28 K 5.3913 8.4451 116.3391 54.4871 34.4178 175.9753 29 V 4.4877 7.5881 116.4294 61.9935 31.0702 175.7640 30 T 4.3858 9.1090 112.9937 64.0692 69.7324 174.8416 31 S 4.8523 9.0835 123.6881 57.5177 60.7773 173.8238 32 E 4.0665 7.6929 126.3155 57.1341 29.3524 175.9015 33 E 4.0287 7.7929 116.9429 58.8807 30.3038 179.2052 34 K 4.2106 7.7194 116.4352 57.8895 32.9399 178.1682 35 E 4.1256 8.0546 118.3410 57.7672 29.3727 177.3088 36 Q 4.3989 7.5282 119.1021 56.7966 30.5211 176.8043 37 L 4.1070 7.7510 121.0258 58.2926 42.3605 178.9093 38 S 4.1289 8.0072 115.2918 61.6380 61.4807 176.5495 39 T 4.3588 7.8739 110.9764 63.4093 68.9090 176.1054 40 A 4.3464 7.9550 122.4259 53.1575 19.1305 177.6980 41 I 4.3156 7.4256 109.3281 61.4909 39.3093 176.6544 42 D 4.2507 7.7089 118.6193 56.9042 41.4427 177.7649 43 R 4.4932 7.7132 116.4809 57.6065 32.4769 178.6418 44 M 4.4773 7.5772 114.9322 57.9408 32.4833 177.3809 45 N 4.3975 7.7408 116.4917 56.0224 38.6331 175.4762 46 E 4.1632 8.6138 123.1597 58.4095 30.7136 178.1040 47 G 3.4844 8.4871 106.9361 47.2511 0.0000 175.7813 48 L 2.6557 7.3602 122.1121 58.3858 40.6041 178.7801 49 D 4.2657 7.5447 117.4665 57.1064 41.2627 177.2809 50 A 4.0610 8.2766 122.2528 53.6178 18.4191 178.7959 51 F 3.5050 8.3875 117.6608 61.2135 39.4809 178.0362 52 I 3.8467 7.8269 118.4230 64.0439 37.6843 177.5449 53 Q 4.2411 8.0409 116.1182 57.9155 28.5581 177.0293 54 L 4.5926 7.7208 119.3973 55.5091 42.2402 175.1210 55 Y 4.3850 8.6613 114.0042 58.2605 40.4952 176.9478 56 N 4.3505 8.7726 115.5566 54.7838 37.9628 174.3975 57 E 4.6190 8.2833 112.2617 54.8295 31.2251 175.9007 58 S 4.0395 8.5342 111.1482 58.8312 61.1091 168.1423 59 E 4.7575 8.8734 115.2713 56.7652 26.4267 174.7095 60 I 4.3270 8.1849 121.1989 63.6827 39.1759 175.9950 61 D 4.3386 8.1903 118.0802 57.1234 41.1238 176.7605 62 E 4.0661 8.6187 120.0839 55.4680 29.6845 174.7069 63 P 4.5168 0.0000 0.0000 62.5276 29.6758 174.5703 64 L 4.6796 7.8112 120.9766 55.5009 44.9094 177.5125 65 I 4.4197 7.4131 116.0157 61.6804 41.1468 175.1640 66 Q 4.6104 7.0511 129.2109 54.2545 31.8686 175.3955 67 L 5.5338 7.0691 127.9510 57.5667 38.7021 175.1796 68 D 4.3683 7.3175 119.3115 57.0875 41.8159 177.7913 69 D 4.2817 7.9557 118.5049 56.9931 41.3858 178.0426 70 D 4.4073 8.2796 118.1534 56.8594 41.3547 176.3139 71 T 4.2377 7.8296 105.9233 62.9100 70.6503 175.6405 72 A 3.8824 8.5680 125.4536 54.7598 18.2343 179.1991 73 E 3.8267 7.9329 116.7109 59.0703 29.5417 179.2084 74 L 3.9490 8.7566 120.3675 58.0670 42.0033 179.0878 75 M 4.9754 7.7701 118.4837 56.6565 31.9528 178.5528 76 K 3.9225 8.5364 121.0578 59.3809 32.6335 178.3838 77 Q 3.9448 8.0565 119.5724 58.9713 28.3172 178.3018 78 A 4.0431 7.9929 121.9877 55.0448 18.5256 179.4263 79 R 4.6359 7.7482 112.6428 57.3608 29.6202 176.9044 80 D 4.7788 7.9822 117.4543 54.5195 42.8380 176.5564 81 M 4.2071 7.7813 117.3477 57.0901 33.0040 175.6781 82 Y 4.7563 8.7495 112.0942 57.8589 41.1015 177.2467 83 G 5.6093 9.2145 120.3812 45.2947 0.0000 174.1208 84 Q 5.4853 7.1423 132.3715 57.8250 26.2114 173.7537 85 E 4.4136 7.7676 115.8793 56.0932 30.9367 175.8280 86 K 3.5158 8.6191 115.2523 56.2814 29.7610 175.5787 87 L 4.6910 6.9995 115.2328 54.4116 43.1861 178.1861 88 N 4.3597 8.0360 116.7441 56.1578 37.7951 176.4087 89 E 3.8821 8.1439 117.7525 58.6170 29.9123 178.5244 90 K 4.4680 7.7183 116.3072 56.3186 33.5853 177.7824 91 L 3.9409 9.1988 119.9452 58.3441 41.7067 178.6657 92 N 4.1214 8.4552 117.2611 57.0724 38.7276 176.4638 93 T 4.1294 7.6862 116.0513 65.9006 69.0072 177.0664 94 I 3.7029 7.5527 121.6976 64.2860 37.1269 178.3418 95 I 3.7184 9.3617 119.5363 63.8438 37.9222 177.8522 96 K 4.0182 8.0044 119.9615 59.1626 31.9267 178.7907 97 Q 4.0895 8.2466 118.7384 58.5138 28.7764 177.4574 98 I 4.1835 7.8074 117.5292 61.9122 37.1621 176.5831 99 L 4.6200 8.0201 121.2147 54.8658 43.4695 177.1010 100 S 4.2756 7.9272 111.4565 58.8708 62.6537 175.1804 101 I 3.8951 7.4820 121.0910 62.8651 37.0317 175.9518 102 S 4.5156 8.0751 115.1465 59.2869 60.5543 170.1519 103 V 4.5297 7.7505 119.9961 62.8154 33.4491 176.5859 104 S 4.2055 7.4452 114.5653 59.5554 61.9860 175.5773 105 E 5.7982 8.6485 125.5923 58.6940 31.6824 176.0384 106 E 3.7547 8.1256 114.8708 56.9469 28.7061 175.5419 107 G 4.0281 7.7610 105.9024 44.8191 0.0000 174.0968 108 E 3.8408 8.7470 109.3804 57.2188 27.3765 174.9471 109 K 4.4859 8.4745 120.9901 54.9610 31.7155 176.0071 110 E 5.9800 8.1809 128.7119 57.5090 30.3737 175.5477 111 L 3.6798 8.4410 120.9663 53.8422 41.6822 175.0102 112 V 4.4358 7.8177 119.0160 60.7038 34.7401 173.7272 113 P 4.3235 0.0000 0.0000 65.4877 31.7623 176.1871 114 R 4.1647 7.8224 122.7034 55.5891 30.0402 175.4143 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 3 C 8.24 4.82 0.00 3.06 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 4 T 7.95 4.16 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 1.11 0.00 0.00 5 F 7.75 4.41 0.00 3.10 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 6 F 8.01 4.60 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.20 0.00 2.30 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 2.67 2.47 0.00 8 K 7.73 4.50 0.00 1.50 1.31 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.32 7.81 9 H 7.14 4.78 0.00 3.36 3.52 0.00 5.52 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.97 3.91 0.00 3.35 3.45 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.12 5.42 0.00 2.04 2.00 0.00 3.50 0.00 0.00 3.45 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 12 K 8.72 4.22 0.00 2.17 2.00 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 13 W 8.39 4.46 0.00 2.64 2.20 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 14 D 8.11 4.32 0.00 2.98 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 15 I 7.22 3.79 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 1.02 0.00 0.00 16 L 8.63 4.06 0.00 1.74 1.85 0.97 0.62 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 17 L 7.83 4.15 0.00 1.48 1.55 0.63 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.11 4.28 0.00 2.06 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 0.00 2.23 2.47 0.00 19 K 7.73 4.26 0.00 1.89 1.83 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.56 7.81 20 S 8.25 4.48 0.00 3.93 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 21 T 7.60 4.69 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 1.23 0.00 0.00 22 G 8.09 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.68 4.12 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 0.87 0.00 0.00 1.03 0.00 0.00 24 M 8.34 3.19 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 25 E 8.07 5.39 0.00 2.20 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 0.00 2.12 2.15 0.00 26 A 8.05 4.06 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 27 M 7.60 4.49 0.00 2.05 1.96 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 2.45 2.56 0.00 28 K 8.45 5.39 0.00 1.87 1.75 0.00 1.71 0.00 0.00 2.42 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.25 7.81 29 V 7.59 4.49 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 0.87 0.00 0.00 0.91 0.00 0.00 30 T 9.11 4.39 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 31 S 9.08 4.85 0.00 3.91 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 32 E 7.69 4.07 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 33 E 7.79 4.03 0.00 2.06 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 2.38 2.31 0.00 34 K 7.72 4.21 0.00 1.85 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.36 7.81 35 E 8.05 4.13 0.00 1.96 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 2.44 2.34 0.00 36 Q 7.53 4.40 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 37 L 7.75 4.11 0.00 1.81 1.89 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.01 4.13 0.00 3.99 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 39 T 7.87 4.36 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 1.24 0.00 0.00 40 A 7.95 4.35 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 41 I 7.43 4.32 1.88 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 1.46 0.87 0.92 0.00 0.00 42 D 7.71 4.25 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.49 0.00 1.91 1.99 0.00 3.18 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 44 M 7.58 4.48 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.85 0.00 45 N 7.74 4.40 0.00 2.87 2.67 0.00 0.00 6.67 7.30 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 46 E 8.61 4.16 0.00 2.09 1.88 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 0.00 2.31 2.37 0.00 47 G 8.49 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.36 2.66 0.00 2.23 2.04 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.54 4.27 0.00 2.88 2.68 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 0.00 0.00 0.00 0.00 50 A 8.28 4.06 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 51 F 8.39 3.50 0.00 2.59 1.64 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 52 I 7.83 3.85 1.76 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 1.85 1.73 0.90 0.00 0.00 53 Q 8.04 4.24 0.00 2.22 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 54 L 7.72 4.59 0.00 1.83 1.90 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.66 4.38 0.00 3.49 3.27 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 56 N 8.77 4.35 0.00 3.15 2.99 0.00 0.00 7.13 8.16 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 57 E 8.28 4.62 0.00 2.01 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 0.00 2.28 2.34 0.00 58 S 8.53 4.04 0.00 4.13 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 59 E 8.87 4.76 0.00 1.95 2.34 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 2.58 2.44 0.00 60 I 8.18 4.33 2.00 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 1.42 2.15 0.95 0.00 0.00 61 D 8.19 4.34 0.00 1.58 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.07 0.00 2.28 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 0.00 2.48 2.68 0.00 63 P 0.00 4.52 0.00 2.22 2.10 0.00 3.81 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 1.98 0.00 64 L 7.81 4.68 0.00 1.82 1.63 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.41 4.42 1.88 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 1.30 1.14 0.92 0.00 0.00 66 Q 7.05 4.61 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.87 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 67 L 7.07 5.53 0.00 2.15 2.03 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.32 4.37 0.00 2.78 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 69 D 7.96 4.28 0.00 2.74 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 70 D 8.28 4.41 0.00 2.73 2.84 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 71 T 7.83 4.24 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 0.91 0.00 0.00 72 A 8.57 3.88 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 73 E 7.93 3.83 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 74 L 8.76 3.95 0.00 1.69 1.61 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 M 7.77 4.98 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.35 0.00 76 K 8.54 3.92 0.00 1.81 1.79 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 77 Q 8.06 3.94 0.00 2.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 78 A 7.99 4.04 1.49 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 79 R 7.75 4.64 0.00 1.97 2.17 0.00 3.06 0.00 0.00 3.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 80 D 7.98 4.78 0.00 2.73 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 81 M 7.78 4.21 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.40 0.00 82 Y 8.75 4.76 0.00 2.95 2.86 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 83 G 9.21 5.61 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 0.00 0.00 0.00 84 Q 7.14 5.49 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 85 E 7.77 4.41 0.00 1.92 1.76 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 2.15 2.29 0.00 86 K 8.62 3.52 0.00 1.34 1.55 0.00 1.28 0.00 0.00 1.26 0.00 0.00 2.57 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.44 0.21 7.81 87 L 7.00 4.69 0.00 1.75 1.54 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.04 4.36 0.00 2.93 3.07 0.00 0.00 6.17 7.71 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 89 E 8.14 3.88 0.00 1.93 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 2.33 2.35 0.00 90 K 7.72 4.47 0.00 1.81 1.73 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.54 7.81 91 L 9.20 3.94 0.00 1.79 1.69 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.46 4.12 0.00 2.96 2.84 0.00 0.00 7.25 7.08 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 93 T 7.69 4.13 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 1.21 0.00 0.00 94 I 7.55 3.70 1.92 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 1.58 0.90 0.92 0.00 0.00 95 I 9.36 3.72 1.86 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 1.39 1.21 0.95 0.00 0.00 96 K 8.00 4.02 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 97 Q 8.25 4.09 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 98 I 7.81 4.18 2.10 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 1.45 0.43 0.92 0.00 0.00 99 L 8.02 4.62 0.00 1.80 1.68 0.88 0.75 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 0.00 100 S 7.93 4.28 0.00 4.01 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 0.00 101 I 7.48 3.90 2.06 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 1.54 0.55 0.97 0.00 0.00 102 S 8.08 4.52 0.00 3.99 4.68 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 0.00 0.00 0.00 0.00 103 V 7.75 4.53 2.63 0.00 0.00 0.00 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 0.99 0.00 0.00 104 S 7.45 4.21 0.00 4.04 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 0.00 105 E 8.65 5.80 0.00 2.02 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 2.11 2.18 0.00 106 E 8.13 3.75 0.00 2.20 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 0.00 2.27 2.39 0.00 107 G 7.76 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 0.00 0.00 0.00 108 E 8.75 3.84 0.00 2.15 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 2.22 2.29 0.00 109 K 8.47 4.49 0.00 1.84 2.17 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.43 7.81 110 E 8.18 5.98 0.00 2.08 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 2.08 2.07 0.00 111 L 8.44 3.68 0.00 1.77 1.59 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.82 4.44 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 0.82 0.00 0.00 0.94 0.00 0.00 113 P 0.00 4.32 0.00 2.22 2.16 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 114 R 7.82 4.16 0.00 1.78 1.83 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00