NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9405 8.3549 109.7361 45.7771 0.0000 172.7084 2 S 4.3425 7.8806 112.7371 58.0023 66.2238 175.0261 3 S 4.2083 9.0962 114.4498 58.6736 66.9289 171.6591 4 G 3.8744 9.0677 123.0928 44.5745 0.0000 173.4074 5 S 4.3192 8.5299 120.0865 58.5971 63.5954 173.5731 6 S 4.4604 8.4659 115.9611 57.6220 64.8397 174.3606 7 G 4.0428 8.8916 113.7761 44.3425 0.0000 171.1766 8 P 4.4626 0.0000 0.0000 61.9988 32.0759 176.2123 9 T 3.9930 8.2882 111.3147 61.8811 69.2215 172.8800 10 S 4.3345 7.9741 116.8736 57.8340 62.6676 173.6905 11 A 4.2859 8.8404 129.0809 51.4271 18.9108 175.3024 12 P 4.5324 0.0000 0.0000 62.7181 32.3619 175.3536 13 Q 4.5224 8.0024 115.0232 55.9242 31.9600 173.8972 14 H 4.0732 8.6046 111.4877 56.8697 25.8858 174.4061 15 L 4.9828 8.0922 122.3166 54.4300 42.4989 175.2095 16 T 4.8234 8.7057 116.0824 60.0687 73.2999 172.9104 17 V 4.3577 8.3267 121.7299 62.3460 31.4332 175.4242 18 E 4.2115 8.5341 128.2670 59.0420 29.7532 176.6481 19 D 4.9443 7.8697 116.7029 52.7065 45.7825 173.7925 20 V 4.7009 8.1688 119.9780 61.7712 35.1059 174.3497 21 T 4.7925 8.9768 125.7328 62.8307 70.5964 174.4620 22 D 4.3816 8.8359 121.7328 58.0216 41.3855 177.5814 23 T 4.9995 7.7707 106.9130 61.1315 70.4885 172.8753 24 T 5.0376 7.6721 110.5924 61.3322 72.4970 172.5121 25 T 5.0212 8.9827 118.9075 62.3936 73.3998 172.8426 26 T 5.0369 8.4966 119.7004 61.9167 72.0744 173.4535 27 L 5.1528 8.5728 123.5346 53.0119 46.6139 175.5046 28 K 4.7959 8.8511 123.1829 54.5638 35.4690 175.0272 29 W 6.0220 8.1458 123.6536 53.8047 31.8309 174.2529 30 R 4.9672 9.5233 117.9699 53.5824 33.3486 174.1798 31 P 5.0646 0.0000 0.0000 61.9045 32.6454 174.0529 32 P 4.6522 0.0000 0.0000 62.7130 32.3883 175.2108 33 D 4.7169 8.5528 116.4213 55.0958 42.4397 176.6037 34 R 4.3922 7.6427 119.4046 54.7632 28.5835 175.5043 35 I 3.8820 7.7373 119.9589 61.7160 40.3139 178.6668 36 G 3.7569 7.8291 109.1432 45.4707 0.0000 172.5674 37 A 4.1714 8.3382 124.5678 53.1963 19.0778 176.9437 38 G 4.2727 8.8398 116.0435 45.3248 0.0000 174.0886 39 G 4.1029 7.2654 107.7978 44.6589 0.0000 173.1143 40 I 3.8180 7.9186 121.5909 60.4876 38.8590 175.5879 41 D 4.4885 8.3759 126.8508 55.7620 42.3408 176.8249 42 G 4.6203 6.8772 108.1398 46.1813 0.0000 171.0300 43 Y 4.9569 7.8356 119.3152 56.5176 43.0000 173.8996 44 L 4.7664 9.4397 124.5087 53.2172 43.8634 175.5392 45 V 4.6883 8.7588 125.3521 61.6145 33.4094 174.5708 46 E 5.5352 9.3109 126.9199 54.9505 33.8955 174.0966 47 Y 6.2514 9.3795 121.7714 54.6291 41.6420 174.0578 48 C 4.4963 7.8021 120.9732 56.9900 34.3118 172.9412 49 L 4.2040 8.2702 126.7235 54.2584 42.5914 176.4281 50 E 3.8617 7.9247 122.6599 58.2706 29.8925 175.9042 51 G 4.0326 8.9411 113.4627 45.6348 0.0000 173.7624 52 S 4.3174 7.7527 113.0499 57.8340 63.0027 173.0392 53 E 4.4581 8.5128 123.3027 55.3983 30.0405 174.5246 54 E 4.6254 7.7971 118.5521 54.0135 31.4763 175.4893 55 W 4.3565 8.9340 127.8640 56.1506 29.7933 176.2800 56 V 3.9215 8.4851 126.6199 61.2925 32.5717 173.3893 57 P 4.9442 0.0000 0.0000 62.7468 31.1664 175.8486 58 A 4.6298 9.7666 128.8245 54.1616 19.0254 177.1513 59 N 4.8665 7.8199 112.8211 50.7696 38.8631 173.9574 60 K 4.0139 9.0257 123.8050 58.8899 32.2880 176.7991 61 E 4.6705 7.7747 114.2398 53.3872 31.6976 173.5128 62 P 5.0806 0.0000 0.0000 61.9687 32.0805 176.7647 63 V 4.0004 8.4459 116.8327 61.4970 32.3575 176.1645 64 E 4.4170 8.6401 117.4189 57.8079 30.8701 176.9678 65 R 4.2691 7.7934 117.0352 55.6835 31.6734 175.6084 66 C 3.4680 7.8811 113.9339 56.4343 28.5548 173.3545 67 G 3.7374 6.2236 101.9982 46.6735 0.0000 172.7004 68 F 4.9485 8.0602 123.4169 57.2804 44.0026 172.7834 69 T 4.6543 5.8114 116.5926 61.4800 71.2433 173.9543 70 V 4.2675 8.2871 127.6007 61.7590 33.0548 175.0858 71 K 4.7657 8.3727 125.8411 55.2616 35.9033 174.4017 72 D 4.3156 8.4858 121.3328 54.3795 38.9270 171.9529 73 L 4.6950 7.6015 120.8035 51.6354 46.0486 174.1829 74 P 4.3579 0.0000 0.0000 62.3546 31.6649 176.2198 75 T 3.9026 8.4298 120.9843 65.3869 68.6202 174.5576 76 G 3.7528 9.2697 117.2514 46.0635 0.0000 172.8663 77 A 4.5790 8.0997 119.5583 49.8698 22.0529 178.6179 78 R 4.3682 8.6557 121.8637 55.7433 29.6062 174.3775 79 I 4.4276 8.4472 124.0588 59.4464 39.8648 174.2541 80 L 4.6930 7.9395 126.0460 53.2694 43.8334 175.4793 81 F 5.9283 8.6776 122.3838 56.1392 41.8260 174.9447 82 R 4.9362 9.1128 117.7147 54.5703 33.1624 173.8693 83 V 4.6751 8.2608 120.9786 61.0820 34.5513 174.3158 84 V 4.5672 8.3321 120.4937 59.2739 35.2900 175.0021 85 G 3.4166 8.7092 113.3166 45.8897 0.0000 173.6011 86 V 4.6523 7.7478 119.3032 60.6666 33.9830 174.7289 87 N 4.0753 8.8148 119.1127 52.5028 40.2433 175.2329 88 I 3.4733 8.8055 118.9414 64.0376 37.9988 176.7257 89 A 4.1706 7.6694 122.2155 54.1603 20.0982 175.5306 90 G 4.0645 7.5898 104.4509 44.2536 0.0000 176.4171 91 R 5.4147 8.8755 118.0227 52.9955 33.0578 173.3728 92 S 4.8118 8.2168 113.5360 55.7773 66.2875 173.2314 93 E 4.0718 8.7208 119.1174 56.3306 29.7062 175.5905 94 P 4.4294 0.0000 0.0000 61.8588 32.0690 176.8154 95 A 4.3805 8.3154 130.1774 51.5124 16.6518 177.3062 96 T 4.0418 7.6712 117.0648 63.4250 69.0377 175.6769 97 L 4.3147 8.6220 124.1194 54.5357 42.3935 178.6133 98 L 4.2460 8.7390 122.5135 57.3871 41.9889 177.5589 99 Q 4.5757 7.3554 112.7197 53.2142 32.6572 172.9256 100 P 4.4771 0.0000 0.0000 62.3387 32.7322 175.3230 101 V 4.4032 8.0046 117.7706 61.3445 33.4952 176.5278 102 T 3.8742 8.4687 122.8431 64.1282 68.9745 170.7752 103 I 3.4183 7.9556 127.9370 61.6009 34.3457 172.5015 104 R 4.5004 7.9008 121.3015 55.6026 34.4325 173.9392 105 E 4.4222 8.7774 122.0146 54.7607 30.7931 175.5398 106 S 4.3251 8.4877 120.1798 56.9166 64.3845 173.3117 107 G 3.9911 8.3889 117.3918 43.0014 0.0000 170.0540 108 P 4.5971 0.0000 0.0000 62.7376 32.2324 175.2119 109 S 4.4492 8.2983 112.5335 58.2903 66.4000 174.1640 110 S 3.5717 8.5945 118.5434 59.0189 59.2764 173.0377 111 G 3.7372 8.2522 111.2868 45.3334 0.0000 171.0200 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 G 8.35 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 2 S 7.88 4.34 0.00 3.88 3.71 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 0.00 0.00 0.00 0.00 3 S 9.10 4.21 0.00 3.79 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 4 G 9.07 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 5 S 8.53 4.32 0.00 3.86 3.80 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 6 S 8.47 4.46 0.00 3.75 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 7 G 8.89 4.04 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 0.00 0.00 0.00 8 P 0.00 4.46 0.00 2.14 2.14 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 9 T 8.29 3.99 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 1.16 0.00 0.00 10 S 7.97 4.33 0.00 4.02 3.84 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 A 8.84 4.29 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 12 P 0.00 4.53 0.00 1.74 1.34 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 13 Q 8.00 4.52 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 14 H 8.60 4.07 0.00 3.44 3.48 0.00 5.60 0.00 0.00 0.00 0.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.09 4.98 0.00 1.74 1.65 1.22 1.00 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 16 T 8.71 4.82 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 1.26 0.00 0.00 17 V 8.33 4.36 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 0.88 0.00 0.00 1.13 0.00 0.00 18 E 8.53 4.21 0.00 1.96 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 2.33 2.37 0.00 19 D 7.87 4.94 0.00 2.72 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 4.70 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 1.06 0.00 0.00 1.01 0.00 0.00 21 T 8.98 4.79 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 1.19 0.00 0.00 22 D 8.84 4.38 0.00 2.64 2.71 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 0.00 0.00 0.00 0.00 23 T 7.77 5.00 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 1.26 0.00 0.00 24 T 7.67 5.04 4.17 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 1.15 0.00 0.00 25 T 8.98 5.02 4.10 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 1.41 0.00 0.00 26 T 8.50 5.04 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 L 8.57 5.15 0.00 1.69 1.68 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.85 4.80 0.00 1.68 1.55 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.21 7.81 29 W 8.15 6.02 0.00 3.22 3.08 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 30 R 9.52 4.97 0.00 1.95 1.87 0.00 2.86 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 31 P 0.00 5.06 0.00 2.19 2.24 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 32 P 0.00 4.65 0.00 2.25 2.44 0.00 3.88 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 2.03 2.11 0.00 33 D 8.55 4.72 0.00 2.65 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 34 R 7.64 4.39 0.00 1.96 1.86 0.00 3.21 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 35 I 7.74 3.88 1.88 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 1.36 0.58 0.91 0.00 0.00 36 G 7.83 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 0.00 0.00 0.00 37 A 8.34 4.17 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 38 G 8.84 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 0.00 0.00 0.00 0.00 39 G 7.27 4.10 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 0.00 0.00 0.00 40 I 7.92 3.82 1.78 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.90 0.00 0.00 41 D 8.38 4.49 0.00 2.63 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 42 G 6.88 4.62 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 0.00 0.00 0.00 43 Y 7.84 4.96 0.00 2.97 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 44 L 9.44 4.77 0.00 1.43 1.70 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.76 4.69 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 1.09 0.00 0.00 0.94 0.00 0.00 46 E 9.31 5.54 0.00 2.04 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 2.27 2.27 0.00 47 Y 9.38 6.25 0.00 3.19 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.80 4.50 0.00 1.23 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 49 L 8.27 4.20 0.00 1.58 1.54 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.92 3.86 0.00 2.09 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 2.25 2.38 0.00 51 G 8.94 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 52 S 7.75 4.32 0.00 3.69 3.80 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 53 E 8.51 4.46 0.00 1.89 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 2.26 0.00 54 E 7.80 4.63 0.00 1.98 1.73 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 2.15 2.24 0.00 55 W 8.93 4.36 0.00 3.12 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 56 V 8.49 3.92 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 0.00 0.00 0.88 0.00 0.00 0.73 0.00 0.00 57 P 0.00 4.94 0.00 2.16 2.10 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 58 A 9.77 4.63 1.53 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 59 N 7.82 4.87 0.00 2.66 1.58 0.00 0.00 5.99 7.24 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 60 K 9.03 4.01 0.00 1.81 1.98 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 61 E 7.77 4.67 0.00 2.07 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 2.22 2.30 0.00 62 P 0.00 5.08 0.00 2.24 2.07 0.00 3.38 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 63 V 8.45 4.00 2.27 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 0.91 0.00 0.00 1.42 0.00 0.00 64 E 8.64 4.42 0.00 2.11 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 2.24 2.35 0.00 65 R 7.79 4.27 0.00 1.79 1.77 0.00 3.29 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 66 C 7.88 3.47 0.00 2.42 2.99 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 67 G 6.22 3.74 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 0.00 0.00 0.00 68 F 8.06 4.95 0.00 3.20 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 69 T 5.81 4.65 3.74 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 1.03 0.00 0.00 70 V 8.29 4.27 1.78 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 0.86 0.00 0.00 0.91 0.00 0.00 71 K 8.37 4.77 0.00 1.72 1.69 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.39 7.81 72 D 8.49 4.32 0.00 2.77 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 73 L 7.60 4.69 0.00 1.62 1.49 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.36 0.00 2.18 2.08 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 75 T 8.43 3.90 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 1.27 0.00 0.00 76 G 9.27 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 77 A 8.10 4.58 1.25 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 0.00 0.00 0.00 78 R 8.66 4.37 0.00 1.78 1.83 0.00 3.13 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 79 I 8.45 4.43 1.59 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 1.24 0.71 0.90 0.00 0.00 80 L 7.94 4.69 0.00 1.37 1.84 0.96 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.68 5.93 0.00 3.10 2.96 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 82 R 9.11 4.94 0.00 1.56 1.66 0.00 2.46 0.00 0.00 2.62 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.69 0.00 83 V 8.26 4.68 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 -0.57 0.00 0.00 0.53 0.00 0.00 84 V 8.33 4.57 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 0.79 0.00 0.00 0.88 0.00 0.00 85 G 8.71 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 4.65 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 0.83 0.00 0.00 0.86 0.00 0.00 87 N 8.81 4.08 0.00 2.68 2.78 0.00 0.00 6.81 7.31 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 88 I 8.81 3.47 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 1.33 0.79 0.89 0.00 0.00 89 A 7.67 4.17 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 90 G 7.59 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.88 5.41 0.00 1.68 1.80 0.00 2.50 0.00 0.00 2.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 92 S 8.22 4.81 0.00 3.81 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 93 E 8.72 4.07 0.00 1.83 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 2.24 0.00 94 P 0.00 4.43 0.00 1.79 1.79 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 95 A 8.32 4.38 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 96 T 7.67 4.04 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 1.32 0.00 0.00 97 L 8.62 4.31 0.00 1.85 1.87 1.23 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.74 4.25 0.00 1.66 1.76 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.36 4.58 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 100 P 0.00 4.48 0.00 2.10 2.00 0.00 3.71 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 1.95 1.92 0.00 101 V 8.00 4.40 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 1.23 0.00 0.00 1.11 0.00 0.00 102 T 8.47 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 1.21 0.00 0.00 103 I 7.96 3.42 2.01 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 1.71 0.78 0.97 0.00 0.00 104 R 7.90 4.50 0.00 1.79 1.78 0.00 3.15 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 105 E 8.78 4.42 0.00 2.14 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 2.22 2.27 0.00 106 S 8.49 4.33 0.00 3.80 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 0.00 107 G 8.39 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 0.00 108 P 0.00 4.60 0.00 2.19 2.08 0.00 3.80 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 1.98 1.98 0.00 109 S 8.30 4.45 0.00 3.84 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 0.00 110 S 8.59 3.57 0.00 3.99 3.88 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 0.00 0.00 0.00 111 G 8.25 3.74 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 0.00 0.00 0.00