NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3830 8.4293 116.7570 55.1875 31.4965 175.4473 3 E 4.0487 8.5733 119.2529 55.0394 30.1445 175.0019 4 L 4.2055 9.2958 124.1627 55.6680 44.1921 177.2420 5 Q 4.5726 8.8693 124.0080 54.1022 32.6074 174.3518 6 V 4.5367 8.3524 124.1161 61.5956 33.4233 174.3611 7 I 4.3857 8.9640 129.4072 59.7307 40.0950 174.8272 8 Q 5.0213 8.9443 127.3346 52.8621 28.7257 174.1805 9 P 4.2632 0.0000 0.0000 64.8639 31.6556 176.1601 10 D 4.7856 7.8855 118.6859 52.4307 41.2108 176.3289 11 K 4.5275 8.6001 125.2148 58.8973 33.2492 177.2823 12 S 5.1448 7.8674 112.7981 56.7451 66.0821 173.7630 13 V 4.4570 8.9784 122.4004 61.1028 34.6099 174.0114 14 S 5.0415 8.6552 121.1841 56.5649 64.6993 173.0126 15 V 4.5804 8.5207 126.1728 60.7930 35.1561 174.4220 16 A 4.5445 8.4933 127.3828 51.2312 19.7552 177.0474 17 A 4.0725 8.3618 124.5506 53.6314 18.9242 178.6293 18 G 3.9023 9.3333 110.4916 45.1121 0.0000 172.9230 19 E 4.6312 7.5982 119.2366 54.7058 33.0237 175.0237 20 S 5.0980 8.3640 115.5609 57.8246 65.1079 173.3718 21 A 4.5919 8.7566 124.5389 50.1621 21.6232 175.1945 22 I 4.5191 8.1869 123.1432 59.5892 39.0926 175.0467 23 L 4.4124 8.0722 127.8128 53.2325 43.3715 175.5383 24 H 5.4811 8.6776 121.2582 54.7109 30.8102 174.9553 25 C 5.4282 8.8254 121.1173 55.7431 44.9068 172.5376 26 T 5.4529 9.2853 115.1491 60.2240 72.2383 172.9178 27 V 5.4241 8.9117 116.1801 59.2748 33.9827 176.0885 28 T 4.3685 8.7048 112.9616 62.8475 69.5434 174.3972 29 S 4.6591 7.8074 115.1847 57.2749 65.3324 173.3061 30 L 4.5208 8.5207 123.8827 54.7587 42.1426 176.5659 31 I 4.4630 7.2505 112.4815 57.8767 39.7256 173.6717 32 P 4.3543 0.0000 0.0000 61.8491 31.7734 176.2140 33 V 3.5690 8.3040 118.8205 61.8165 31.7068 175.2643 34 G 4.8443 8.3125 119.1023 44.2228 0.0000 169.8282 35 P 4.6206 0.0000 0.0000 62.4263 33.3385 174.7434 36 I 4.7740 7.9880 121.3330 60.0113 38.4681 175.2353 37 Q 4.8800 9.1388 125.3469 53.8810 33.0632 174.2572 38 W 5.2273 8.9103 121.6452 55.3188 31.5396 175.4432 39 F 5.5690 9.5712 122.1496 55.7973 43.3565 173.7591 40 R 4.5658 9.3366 121.9389 56.0568 31.5884 177.0498 41 G 4.3551 9.6709 111.7988 45.3801 0.0000 171.4178 42 A 4.3448 7.8366 120.0790 50.7030 22.2602 176.2843 43 G 3.8968 8.3095 105.0668 44.3111 0.0000 172.6431 44 P 4.2644 0.0000 0.0000 64.1212 31.3957 176.7907 45 A 4.3712 7.7215 121.3013 52.1601 18.9356 177.4302 46 R 4.1882 7.3164 113.7077 55.9922 30.4865 175.2855 47 E 4.7031 8.5484 119.7841 54.6016 31.4381 174.5358 48 L 4.4671 8.8784 129.5345 55.4205 42.3122 175.8592 49 I 4.3586 8.8052 127.4631 63.1621 38.8062 175.6958 50 Y 3.2837 7.1774 120.6235 56.0304 42.0625 173.0884 51 N 5.1698 7.0421 121.7463 51.3329 40.6553 174.3018 52 Q 4.0853 8.6899 116.7907 57.5358 29.0393 177.0045 53 K 3.9967 7.9272 118.6598 55.9095 31.8956 176.4860 54 E 3.7922 8.8632 125.0338 57.8109 29.8845 176.8843 55 G 4.0071 8.6444 111.4017 46.8966 0.0000 174.1590 56 H 4.2457 7.3813 117.1897 56.6871 29.2185 175.6505 57 F 4.8939 7.4921 117.9905 54.5244 39.2374 173.4586 58 P 4.4575 0.0000 0.0000 64.7101 31.9894 178.4380 59 R 4.2927 8.0461 117.1187 56.6178 30.9109 175.9971 60 V 4.5827 7.2084 116.4094 62.1036 32.9500 175.4598 61 T 4.6461 8.0501 119.7999 60.8896 71.1417 172.8928 62 T 4.1583 8.2921 124.7085 63.7984 68.6888 174.6864 63 V 3.9286 8.1928 125.2005 64.4832 32.5476 176.2150 64 S 4.5984 7.8029 114.3603 56.6044 64.6458 174.4224 65 E 4.3131 8.1425 118.6330 55.3794 27.8107 176.6640 66 S 4.3404 8.0906 119.3663 60.1221 63.9338 175.7475 67 T 4.2537 7.8100 110.3563 62.2437 68.8900 174.2326 68 K 4.5455 7.4671 122.0122 54.7391 33.8282 177.5161 69 R 3.8942 8.7848 125.6589 60.1645 30.1708 178.3974 70 E 4.1084 8.0359 112.1006 57.8461 30.0602 178.4693 71 N 4.3830 7.6724 116.2913 54.8250 39.2753 174.1283 72 M 4.7678 8.6328 123.4356 55.0459 33.9894 174.0357 73 D 5.3049 7.7768 119.4812 52.1150 43.0049 176.2765 74 F 5.0368 9.0719 125.9362 57.3367 40.1766 175.8706 75 S 4.9474 8.6395 114.6250 58.8009 64.1859 173.6678 76 I 4.7954 8.2296 114.8202 59.1436 41.6857 173.7506 77 S 4.9655 9.0467 118.1467 56.5909 64.9182 172.5329 78 I 4.7911 8.5279 128.8431 59.8166 38.5127 175.4051 79 S 4.7430 8.5305 121.3196 55.6996 65.6719 173.2621 80 N 4.2788 8.4110 115.5283 54.3861 35.7757 174.8253 81 I 3.9533 8.0360 120.0625 61.4932 38.4422 176.3304 82 T 4.9322 9.4968 115.3221 58.7375 71.4884 173.2102 83 P 4.4026 0.0000 0.0000 65.6790 31.4142 178.5340 84 A 4.1305 7.4082 119.4340 54.3325 18.3166 177.8978 85 D 4.6472 8.3322 114.6662 55.1034 41.4117 176.9992 86 A 4.2651 7.6734 123.1469 51.3695 18.9763 177.8446 87 G 3.9219 7.8504 108.6971 45.7861 0.0000 170.5044 88 T 4.8798 7.7112 116.1573 62.3467 70.3299 173.6900 89 Y 5.2846 9.0570 124.9260 56.4315 40.8404 174.4375 90 Y 5.2642 9.6529 121.2832 56.3614 41.8502 173.6692 91 C 4.0084 8.9101 124.4204 54.7705 45.8021 172.3674 92 V 4.7631 8.5627 126.6711 60.8553 34.5059 173.8673 93 K 4.7963 8.9493 128.7985 55.0355 34.1534 175.1349 94 F 5.3521 9.2212 125.2738 55.8581 42.8326 174.3824 95 R 5.1630 8.8375 119.4548 54.2835 32.9491 175.9698 96 K 4.6086 8.2972 121.7676 56.7177 32.7530 176.8985 97 G 3.9509 8.6156 111.0076 46.0858 0.0000 172.8267 98 S 4.7236 8.5312 115.3768 56.1012 62.1331 172.2513 99 P 4.8881 0.0000 0.0000 60.0247 33.4295 175.8101 100 D 4.9714 8.3694 117.9137 54.9706 41.4250 176.3430 101 T 4.8933 8.8055 110.3262 59.6954 72.4640 172.6500 102 E 3.7990 9.0001 124.8307 56.6699 29.8033 175.2865 103 F 4.8075 8.9489 129.9032 59.6429 40.4603 175.7152 104 K 4.4923 7.5569 116.2898 54.8197 36.5809 174.5776 105 S 4.9417 8.3011 116.9547 56.0787 64.2683 173.8553 106 G 3.9582 8.9400 113.0262 45.4430 0.0000 174.2749 107 A 4.0914 8.6270 122.3620 52.3536 18.9522 178.3220 108 G 3.6966 7.5432 104.2329 44.6450 0.0000 173.7493 109 T 4.7412 8.4850 117.8608 61.3701 72.1136 172.8801 110 E 4.6312 9.2415 129.6197 55.6149 30.8093 174.8212 111 L 5.1913 9.5804 131.2094 53.5832 44.2259 175.2596 112 S 5.0698 9.0469 120.1755 56.4873 66.5462 172.8206 113 V 4.9004 8.5423 123.2313 61.9226 33.9722 175.2845 114 R 4.7740 8.6106 127.1552 55.3118 32.0523 174.8873 115 A 4.1107 8.2743 124.5368 52.2596 18.9799 176.1637 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 2 E 8.43 4.38 0.00 2.01 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 2.13 1.88 0.00 3 E 8.57 4.05 0.00 2.18 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 2.28 2.35 0.00 4 L 9.30 4.21 0.00 1.86 1.80 1.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.87 4.57 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 6 V 8.35 4.54 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 0.95 0.00 0.00 0.85 0.00 0.00 7 I 8.96 4.39 1.90 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 1.24 0.67 0.93 0.00 0.00 8 Q 8.94 5.02 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.10 0.00 0.00 0.00 0.00 0.00 2.45 2.15 0.00 9 P 0.00 4.26 0.00 2.21 2.21 0.00 3.97 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 2.08 2.01 0.00 10 D 7.89 4.79 0.00 2.72 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 11 K 8.60 4.53 0.00 1.73 1.87 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.46 7.81 12 S 7.87 5.14 0.00 3.82 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 13 V 8.98 4.46 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 0.91 0.00 0.00 0.86 0.00 0.00 14 S 8.66 5.04 0.00 3.86 3.68 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 15 V 8.52 4.58 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 0.90 0.00 0.00 0.85 0.00 0.00 16 A 8.49 4.54 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 A 8.36 4.07 1.33 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 18 G 9.33 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 0.00 0.00 0.00 19 E 7.60 4.63 0.00 1.93 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 2.21 2.35 0.00 20 S 8.36 5.10 0.00 3.71 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 21 A 8.76 4.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.52 1.68 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 1.22 0.84 0.68 0.00 0.00 23 L 8.07 4.41 0.00 0.44 0.93 -0.18 0.43 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 24 H 8.68 5.48 0.00 3.17 3.25 0.00 5.90 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.83 5.43 0.00 3.15 3.19 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 26 T 9.29 5.45 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 1.26 0.00 0.00 27 V 8.91 5.42 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 0.96 0.00 0.00 1.28 0.00 0.00 28 T 8.70 4.37 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 29 S 7.81 4.66 0.00 3.83 3.76 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 30 L 8.52 4.52 0.00 1.72 1.76 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.25 4.46 1.84 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 1.36 0.64 0.91 0.00 0.00 32 P 0.00 4.35 0.00 1.92 1.83 0.00 3.55 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.00 33 V 8.30 3.57 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 0.96 0.00 0.00 0.91 0.00 0.00 34 G 8.31 4.84 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 0.00 0.00 0.00 35 P 0.00 4.62 0.00 2.18 2.21 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 36 I 7.99 4.77 1.08 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.61 0.00 0.00 37 Q 9.14 4.88 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 38 W 8.91 5.23 0.00 3.23 3.13 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 39 F 9.57 5.57 0.00 3.10 3.04 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 0.00 0.00 0.00 40 R 9.34 4.57 0.00 1.52 1.68 0.00 2.86 0.00 0.00 2.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 41 G 9.67 4.36 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 0.00 42 A 7.84 4.34 0.76 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 0.00 0.00 43 G 8.31 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 0.00 0.00 0.00 44 P 0.00 4.26 0.00 2.15 2.14 0.00 3.70 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 1.95 1.92 0.00 45 A 7.72 4.37 1.27 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 0.00 0.00 46 R 7.32 4.19 0.00 2.12 1.91 0.00 2.35 0.00 0.00 2.86 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 0.00 47 E 8.55 4.70 0.00 2.19 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 2.37 2.35 0.00 48 L 8.88 4.47 0.00 1.98 1.78 0.61 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.81 4.36 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.94 0.00 0.00 50 Y 7.18 3.28 0.00 2.73 2.67 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 51 N 7.04 5.17 0.00 2.62 2.71 0.00 0.00 6.15 7.39 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 52 Q 8.69 4.09 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 53 K 7.93 4.00 0.00 2.03 1.84 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.40 7.81 54 E 8.86 3.79 0.00 1.97 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 2.33 2.33 0.00 55 G 8.64 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 56 H 7.38 4.25 0.00 1.56 2.37 0.00 5.60 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 57 F 7.49 4.89 0.00 3.21 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 58 P 0.00 4.46 0.00 2.21 2.21 0.00 3.84 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 2.03 2.01 0.00 59 R 8.05 4.29 0.00 1.95 2.02 0.00 3.42 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 60 V 7.21 4.58 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 0.48 0.00 0.00 1.01 0.00 0.00 61 T 8.05 4.65 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 1.17 0.00 0.00 62 T 8.29 4.16 4.21 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 1.25 0.00 0.00 63 V 8.19 3.93 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 0.73 0.00 0.00 0.80 0.00 0.00 64 S 7.80 4.60 0.00 3.93 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 65 E 8.14 4.31 0.00 2.12 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 2.28 2.21 0.00 66 S 8.09 4.34 0.00 4.07 3.97 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 67 T 7.81 4.25 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 1.25 0.00 0.00 68 K 7.47 4.55 0.00 1.98 1.74 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.34 7.81 69 R 8.78 3.89 0.00 1.78 1.97 0.00 3.25 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 70 E 8.04 4.11 0.00 2.03 1.85 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 2.23 1.86 0.00 71 N 7.67 4.38 0.00 2.65 2.79 0.00 0.00 7.01 7.32 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 72 M 8.63 4.77 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 73 D 7.78 5.30 0.00 2.56 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 74 F 9.07 5.04 0.00 2.99 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 75 S 8.64 4.95 0.00 3.86 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 76 I 8.23 4.80 1.29 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.13 0.46 0.00 0.00 77 S 9.05 4.97 0.00 3.70 3.58 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 78 I 8.53 4.79 1.65 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.24 0.84 0.00 0.00 79 S 8.53 4.74 0.00 3.89 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 80 N 8.41 4.28 0.00 2.79 2.84 0.00 0.00 6.97 7.45 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 81 I 8.04 3.95 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.89 0.00 0.00 82 T 9.50 4.93 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 83 P 0.00 4.40 0.00 2.21 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 84 A 7.41 4.13 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 85 D 8.33 4.65 0.00 2.77 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 86 A 7.67 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 87 G 7.85 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 88 T 7.71 4.88 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 0.78 0.00 0.00 89 Y 9.06 5.28 0.00 2.93 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 90 Y 9.65 5.26 0.00 2.95 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 91 C 8.91 4.01 0.00 1.23 2.33 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 92 V 8.56 4.76 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 0.49 0.00 0.00 1.04 0.00 0.00 93 K 8.95 4.80 0.00 1.76 1.73 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.52 1.53 7.81 94 F 9.22 5.35 0.00 2.99 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 95 R 8.84 5.16 0.00 1.72 1.72 0.00 2.21 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.27 0.00 96 K 8.30 4.61 0.00 1.64 1.74 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.54 7.81 97 G 8.62 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 98 S 8.53 4.72 0.00 3.84 3.81 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 99 P 0.00 4.89 0.00 2.16 2.06 0.00 3.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 100 D 8.37 4.97 0.00 2.49 2.77 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 0.00 101 T 8.81 4.89 4.33 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 1.32 0.00 0.00 102 E 9.00 3.80 0.00 1.96 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 2.06 1.78 0.00 103 F 8.95 4.81 0.00 2.90 3.10 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 0.00 0.00 0.00 104 K 7.56 4.49 0.00 1.49 1.44 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.27 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 0.75 7.81 105 S 8.30 4.94 0.00 3.82 3.56 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 0.00 106 G 8.94 3.96 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 0.00 0.00 0.00 107 A 8.63 4.09 1.33 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 0.00 108 G 7.54 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.48 4.74 4.40 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 1.28 0.00 0.00 110 E 9.24 4.63 0.00 2.09 1.85 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 2.31 2.32 0.00 111 L 9.58 5.19 0.00 1.69 1.79 0.84 -0.50 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 0.00 112 S 9.05 5.07 0.00 3.89 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 0.00 113 V 8.54 4.90 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 0.80 0.00 0.00 0.97 0.00 0.00 114 R 8.61 4.77 0.00 1.53 1.76 0.00 3.36 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 115 A 8.27 4.11 1.20 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 0.00 0.00