NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2470 8.3344 116.7855 58.4812 64.9826 173.8514 -7 D 5.3303 7.6131 123.2425 51.3114 40.7478 173.9685 -6 P 3.6233 0.0000 0.0000 65.6385 32.2143 177.5988 -5 S 5.0695 8.3265 111.2415 58.5009 63.2614 174.5677 -4 S 4.7346 8.8130 116.5310 58.2015 64.4272 176.0420 -3 I 4.1597 7.7730 122.7320 63.6081 37.4015 177.6277 -2 N 4.7479 7.5873 115.7564 51.9109 39.6173 176.2915 -1 G 3.9432 7.8626 107.7048 44.5368 0.0000 172.3473 -7 G 4.6503 7.6031 111.6425 42.2114 0.0000 172.5685 -6 I 3.3733 9.3094 128.6042 63.4385 38.9143 176.6988 -5 V 4.7195 8.0465 114.7415 62.4009 32.3614 176.2677 -4 V 4.3846 8.5330 120.0310 62.1015 33.5272 177.7420 -3 A 4.3097 8.0130 126.6320 55.0081 17.7015 179.0277 -2 M 4.4879 7.4673 116.6564 54.2109 33.6173 177.3915 -1 T 4.3332 7.6826 112.5048 61.2368 68.1905 172.1473 8 G 3.9860 8.8228 111.6467 43.9736 0.0000 170.9146 9 K 4.0852 8.6385 121.2079 57.2505 31.6569 176.2305 10 D 4.5030 8.8461 125.7091 54.7285 38.6838 173.1682 11 C 4.7644 7.5449 111.5564 57.2705 32.6907 172.8191 12 V 4.9863 7.9070 112.0777 59.7790 35.2858 174.7389 13 A 4.7026 8.4252 123.4969 50.2718 22.3040 175.3410 14 I 5.3399 8.1056 119.4931 59.5409 40.9774 173.9890 15 A 4.9921 8.5446 129.6030 50.6758 22.5280 174.1594 16 C 5.2858 8.2729 112.3578 57.3078 32.6907 173.3970 17 D 4.7886 8.5087 120.1475 52.8491 41.2706 175.6861 18 L 5.0610 8.2872 114.7984 53.5141 43.5996 176.8542 19 R 4.5734 8.0546 119.7717 56.3395 31.3567 175.8808 20 L 4.3513 8.7973 126.5076 54.0308 45.0592 174.8755 21 G 4.4830 8.3982 114.1104 44.5450 0.0000 172.4343 22 S 4.6149 8.5489 112.6794 57.1007 63.5166 175.5913 23 Q 3.5996 7.9056 128.8043 56.4330 26.9140 176.5547 24 S 4.1735 8.8434 120.9064 61.7246 63.2569 174.2295 25 L 4.0774 7.8403 124.1431 54.2185 42.1865 175.8614 26 G 4.0314 8.5901 115.8292 45.4210 0.0000 172.6856 27 V 4.1879 8.4018 122.3126 63.5436 33.8912 175.6942 28 S 4.7064 8.2900 112.7358 56.6851 65.3834 173.3208 29 N 5.0598 8.8476 122.0097 52.6748 37.3716 174.5789 30 K 4.5851 8.1959 115.1636 56.5354 34.0608 176.8984 31 F 4.5443 8.5202 125.4100 57.5493 38.8302 173.8634 32 E 4.1333 8.2251 124.1615 55.6718 30.2720 176.6263 33 K 4.2257 8.4240 121.0341 56.0137 33.9314 175.1109 34 I 4.7310 6.9654 121.1753 59.4397 39.3951 174.7635 35 F 4.9416 9.4769 125.2500 56.0131 43.7364 173.3323 36 H 4.9915 7.3629 113.0632 54.7700 31.4054 172.5723 *38 Y 4.8233 7.9513 116.9859 58.7452 39.2592 174.9004 39 G 3.9475 8.2483 116.0275 47.4144 0.0000 173.1126 40 H 4.7466 8.9196 120.8149 55.0569 28.8819 174.3617 41 V 4.3144 7.5104 121.0453 61.6860 33.2785 174.4396 42 F 5.0779 9.3274 126.7057 55.6041 41.8557 174.3693 43 L 5.3137 9.4253 124.7066 53.4247 45.2344 175.2440 44 G 4.5846 9.4033 113.7583 44.7484 0.0000 172.5666 45 I 5.1229 8.9215 123.7258 59.9823 40.7544 175.0522 46 T 4.4837 8.8318 117.4566 60.4705 71.6759 172.5303 47 G 3.7753 8.7522 105.9560 44.0918 0.0000 172.9713 48 L 4.1376 8.9515 124.0089 54.8795 42.6095 178.4393 49 A 4.1857 10.0296 128.6641 56.0239 18.0651 179.1000 50 T 3.8362 7.9780 110.6936 65.4370 67.3893 175.8647 51 D 4.4287 8.1672 120.4468 56.9641 41.1706 178.5732 52 V 3.6531 8.0970 119.0535 66.4010 31.6223 178.3345 53 T 3.8492 8.3569 115.5582 66.9133 68.3634 176.9186 54 T 3.7701 8.1158 117.8637 66.6606 68.4034 176.7158 55 L 3.3264 8.2210 121.1392 57.4850 41.5260 179.0869 56 N 4.3037 7.6189 117.9889 56.1706 38.8094 176.8294 57 E 3.9765 7.9128 119.8136 59.3440 29.3827 179.0885 58 M 3.7435 7.6857 118.3247 58.6690 32.2196 178.4216 59 F 4.3651 7.8750 117.9954 59.9707 38.9575 177.8346 60 R 3.8945 7.9740 118.8459 59.5407 29.8678 177.4936 61 Y 4.0969 7.8911 119.1667 61.0103 38.7037 178.6446 62 K 4.2628 8.5765 119.5239 59.7982 32.2514 179.5934 63 T 4.0614 8.3293 110.0832 64.3553 68.6129 176.5953 64 N 4.3408 8.3013 119.8763 56.4741 38.7918 177.3894 65 L 4.0699 7.7610 120.3530 57.6315 41.5478 178.9698 66 Y 4.0021 8.0560 119.9671 60.4586 38.6506 177.9521 67 K 4.4590 8.2641 122.0046 59.1312 32.1499 178.8301 68 L 3.9619 7.8300 118.1483 57.0923 41.4912 179.0720 69 K 4.2200 7.5146 116.7928 58.8358 32.8366 178.7181 70 E 3.8529 7.9451 117.5118 56.9703 29.5017 176.8976 71 E 3.8932 8.7307 117.2658 56.6416 27.3453 174.1156 72 R 4.5033 7.3878 110.9777 55.2369 31.9126 173.6407 73 A 4.3941 8.4706 122.3799 51.4719 19.3297 177.6409 74 I 3.6616 8.1216 121.3311 61.0884 38.6251 175.9164 75 E 4.5931 8.2802 124.9324 54.1580 32.4945 175.5026 76 P 4.3715 0.0000 0.0000 66.1627 31.2779 178.6232 77 E 3.9702 8.2442 116.4045 59.9757 29.4384 179.6314 78 T 3.8897 7.8461 114.9826 66.4941 68.6162 176.3595 79 F 4.0195 8.5018 122.9515 61.5892 39.3890 177.0124 80 T 3.6660 8.1569 115.5643 67.0231 68.2863 176.4939 81 Q 3.9288 7.7329 119.6460 58.6798 28.6610 178.5476 82 L 3.8816 7.6438 121.5533 57.8762 42.0415 179.1881 83 V 3.2159 7.5828 118.5133 65.7613 31.3611 177.7516 84 S 4.0625 7.9429 113.0644 61.6441 62.1566 176.4373 85 S 4.1861 8.1421 116.6994 61.5086 62.4336 176.5892 86 S 4.1881 7.9419 118.2180 61.2851 62.8557 176.3161 87 L 4.2532 8.2264 121.8459 58.0998 41.3988 178.9704 88 Y 3.8783 8.2657 119.2632 60.2996 38.4150 177.5307 89 E 3.9747 7.9820 119.1772 58.0392 29.8575 177.2293 90 R 4.3973 7.4939 117.6361 56.1701 30.7745 178.2111 91 R 3.2394 7.2115 121.0234 59.0498 29.8618 177.9982 92 F 4.9244 7.4364 114.5767 56.1528 39.9629 176.1025 93 G 4.9140 7.1063 114.4322 45.6105 0.0000 171.4737 94 P 4.0974 0.0000 0.0000 62.2756 32.5753 175.8764 95 Y 4.1992 7.8264 116.9260 57.7800 38.8233 176.8649 96 F 4.6825 9.1378 125.0245 56.4605 37.6131 174.6893 97 V 5.0346 7.8420 114.1803 59.4379 36.4855 176.0142 98 G 4.2372 8.9071 108.4272 43.4793 0.0000 170.8335 99 P 4.9301 0.0000 0.0000 63.5995 32.9852 176.3535 100 V 4.5019 8.7610 121.2410 61.5932 35.1835 173.5724 101 V 5.1414 8.6192 127.0502 61.1836 33.8662 174.4072 102 A 4.7691 9.3224 128.4873 49.8961 22.7389 175.2890 103 G 4.2943 7.9310 107.9959 46.6515 0.0000 172.0091 104 I 4.6016 8.1990 120.4822 58.9563 39.4427 175.7297 105 N 4.9693 8.7251 121.6131 53.4564 38.7824 174.3648 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 -8 S 8.33 4.25 0.00 3.84 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 -7 D 7.61 5.33 0.00 2.75 2.53 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 -6 P 0.00 3.62 0.00 1.20 1.41 0.00 3.27 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.60 0.00 -5 S 8.33 5.07 0.00 4.02 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 -4 S 8.81 4.73 0.00 3.76 3.79 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 0.00 0.00 0.00 -3 I 7.77 4.16 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.88 0.87 0.00 0.00 -2 N 7.59 4.75 0.00 2.76 2.73 0.00 0.00 7.54 7.59 0.00 0.00 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 G 7.86 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 -7 G 7.60 4.65 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 -6 I 9.31 3.37 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 0.58 0.91 0.00 0.00 -5 V 8.05 4.72 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 0.96 0.00 0.00 0.93 0.00 0.00 -4 V 8.53 4.38 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 0.86 0.00 0.00 0.93 0.00 0.00 -3 A 8.01 4.31 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 -2 M 7.47 4.49 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.68 4.33 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 8 G 8.82 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 9 K 8.64 4.09 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.85 4.50 0.00 2.82 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 11 C 7.54 4.76 0.00 3.00 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 12 V 7.91 4.99 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 0.71 0.00 0.00 0.88 0.00 0.00 13 A 8.43 4.70 1.10 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 14 I 8.11 5.34 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.77 0.00 0.00 15 A 8.54 4.99 1.15 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 0.00 0.00 0.00 16 C 8.27 5.29 0.00 3.07 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 17 D 8.51 4.79 0.00 2.73 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 18 L 8.29 5.06 0.00 1.61 1.74 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.05 4.57 0.00 1.85 1.86 0.00 3.21 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.80 4.35 0.00 1.48 1.35 0.73 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.40 4.48 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 22 S 8.55 4.61 0.00 3.70 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 23 Q 7.91 3.60 0.00 2.24 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.84 4.17 0.00 3.97 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 25 L 7.84 4.08 0.00 1.73 1.74 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.59 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 27 V 8.40 4.19 2.17 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 0.81 0.00 0.00 0.96 0.00 0.00 28 S 8.29 4.71 0.00 3.86 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 29 N 8.85 5.06 0.00 2.85 2.86 0.00 0.00 5.87 7.13 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 30 K 8.20 4.59 0.00 1.68 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.52 4.54 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.13 0.00 1.60 1.60 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 2.22 2.38 0.00 33 K 8.42 4.23 0.00 1.63 1.97 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.57 7.81 34 I 6.97 4.73 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 1.01 0.00 0.00 35 F 9.48 4.94 0.00 2.76 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 36 H 7.36 4.99 0.00 1.85 1.82 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.82 0.00 2.71 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 39 G 8.25 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 40 H 8.92 4.75 0.00 3.35 3.40 0.00 5.51 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.51 4.31 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 0.70 0.00 0.00 0.66 0.00 0.00 42 F 9.33 5.08 0.00 3.12 2.92 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 43 L 9.43 5.31 0.00 2.11 1.84 1.15 1.72 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 44 G 9.40 4.58 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 0.00 0.00 0.00 45 I 8.92 5.12 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.01 1.05 0.00 0.00 46 T 8.83 4.48 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 1.29 0.00 0.00 47 G 8.75 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 0.00 0.00 0.00 48 L 8.95 4.14 0.00 1.97 1.75 0.97 1.54 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 49 A 10.03 4.19 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 50 T 7.98 3.84 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 1.29 0.00 0.00 51 D 8.17 4.43 0.00 3.09 2.82 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 52 V 8.10 3.65 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 1.36 0.00 0.00 1.23 0.00 0.00 53 T 8.36 3.85 4.46 0.00 0.00 0.00 0.00 0.00 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 54 T 8.12 3.77 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 1.13 0.00 0.00 55 L 8.22 3.33 0.00 1.51 1.42 0.77 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.62 4.30 0.00 1.53 2.35 0.00 0.00 6.83 7.15 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 57 E 7.91 3.98 0.00 2.14 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 2.30 2.43 0.00 58 M 7.69 3.74 0.00 1.49 1.63 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 59 F 7.87 4.37 0.00 2.84 2.52 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 60 R 7.97 3.89 0.00 2.24 2.15 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 61 Y 7.89 4.10 0.00 3.18 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 62 K 8.58 4.26 0.00 1.99 1.98 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.56 1.65 7.81 63 T 8.33 4.06 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 1.00 0.00 0.00 64 N 8.30 4.34 0.00 2.99 2.86 0.00 0.00 6.85 6.09 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 65 L 7.76 4.07 0.00 1.72 1.74 0.96 0.63 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 66 Y 8.06 4.00 0.00 3.20 3.06 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 67 K 8.26 4.46 0.00 2.16 1.96 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 68 L 7.83 3.96 0.00 1.83 1.70 0.89 0.96 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 69 K 7.51 4.22 0.00 1.61 1.75 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.58 7.81 70 E 7.95 3.85 0.00 1.64 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 1.48 1.47 0.00 71 E 8.73 3.89 0.00 2.08 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 2.21 2.34 0.00 72 R 7.39 4.50 0.00 1.99 2.00 0.00 3.02 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 73 A 8.47 4.39 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 74 I 8.12 3.66 1.06 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.12 0.64 0.00 0.00 75 E 8.28 4.59 0.00 2.05 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 2.41 2.39 0.00 76 P 0.00 4.37 0.00 2.19 2.16 0.00 3.65 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 2.16 2.20 0.00 77 E 8.24 3.97 0.00 2.07 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 2.42 2.49 0.00 78 T 7.85 3.89 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 1.25 0.00 0.00 79 F 8.50 4.02 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.67 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 1.16 0.00 0.00 81 Q 7.73 3.93 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 82 L 7.64 3.88 0.00 1.65 1.47 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.58 3.22 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 0.81 0.00 0.00 -0.49 0.00 0.00 84 S 7.94 4.06 0.00 3.95 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 85 S 8.14 4.19 0.00 4.12 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 86 S 7.94 4.19 0.00 4.24 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 87 L 8.23 4.25 0.00 1.90 1.77 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.27 3.88 0.00 3.14 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 89 E 7.98 3.97 0.00 2.09 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 2.29 2.33 0.00 90 R 7.49 4.40 0.00 1.75 1.71 0.00 2.88 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.22 0.00 91 R 7.21 3.24 0.00 0.67 0.99 0.00 2.68 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.44 4.92 0.00 2.99 2.92 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 93 G 7.11 4.91 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 0.00 0.00 0.00 94 P 0.00 4.10 0.00 1.88 1.82 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.77 0.00 95 Y 7.83 4.20 0.00 2.90 2.82 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 96 F 9.14 4.68 0.00 3.07 3.06 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 97 V 7.84 5.03 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 0.81 0.00 0.00 1.01 0.00 0.00 98 G 8.91 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 0.00 0.00 0.00 0.00 99 P 0.00 4.93 0.00 1.98 2.09 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 100 V 8.76 4.50 2.15 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 1.00 0.00 0.00 0.98 0.00 0.00 101 V 8.62 5.14 2.15 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 1.00 0.00 0.00 1.07 0.00 0.00 102 A 9.32 4.77 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 0.00 103 G 7.93 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 0.00 0.00 0.00 104 I 8.20 4.60 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 1.31 0.98 0.92 0.00 0.00 105 N 8.73 4.97 0.00 2.71 2.72 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.