NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.7063 8.1693 120.5794 54.7821 43.2549 175.3958 3 I 4.5507 8.6733 115.0917 58.8445 41.4691 172.4282 4 S 5.2421 9.3324 120.2384 57.5520 64.5911 175.3861 5 V 4.7152 8.9253 116.7783 59.0126 36.2772 174.7002 6 L 3.9974 8.7730 124.9763 55.7609 42.0353 176.0790 7 K 4.4657 9.0599 126.9457 57.6953 34.7454 175.9839 8 S 5.1160 7.5431 113.8315 56.9168 67.7986 173.2935 9 K 4.8281 8.9950 124.1044 55.0666 35.8864 174.5818 10 I 4.8308 8.9468 128.7451 59.7978 39.3754 174.6446 11 S 4.6057 8.9110 123.7217 57.0783 65.5969 174.0972 12 Y 3.7068 8.6428 119.9405 59.1028 35.0197 169.8500 13 A 4.2959 8.0830 122.0292 52.2414 19.7955 177.6772 14 T 5.0050 8.4036 119.8144 61.7496 70.3748 175.0200 15 V 3.9477 8.8237 127.8666 63.6496 31.9279 176.2552 16 T 4.4532 8.9717 118.2914 62.3134 70.4625 174.5537 17 G 4.3531 7.7912 107.6041 45.4940 0.0000 172.2836 18 K 5.5624 8.3020 118.8027 55.7671 35.7748 175.7433 19 D 4.5154 8.5528 122.1253 52.6510 42.7197 174.8906 20 L 3.8514 8.5265 127.4137 56.9893 43.0046 177.3110 21 F 4.9120 7.3659 117.5398 56.2977 37.6735 175.1743 22 Y 4.4731 7.6788 121.9519 57.6493 39.8210 175.5596 23 V 4.0979 7.3923 129.3204 63.1154 32.6532 175.3310 *25 S 4.4489 7.6507 117.1676 58.1839 64.8350 173.6154 26 I 4.7469 7.5265 115.8261 61.3487 40.5821 175.6456 27 T 4.9786 8.8408 126.7938 62.2645 70.3349 173.7645 28 I 4.8938 8.1932 127.0038 59.2762 41.1345 174.1677 29 D 4.7449 8.8329 125.5818 54.2754 41.1805 178.1162 30 S 4.2508 8.7010 121.4002 61.0964 63.5829 175.6458 31 E 4.1358 8.8258 121.5712 59.3636 29.5070 179.1881 32 I 3.7051 7.7601 118.7238 61.4511 36.8536 177.9619 *34 K 4.2111 8.2146 123.4033 56.6185 33.7297 177.6374 35 Q 3.9246 8.0700 116.4478 58.6955 28.6068 177.1800 36 A 4.3197 7.9026 117.6923 51.4068 19.0843 176.4235 37 N 4.1967 7.6226 112.1712 54.3503 36.7353 174.1905 38 I 4.5477 7.7818 117.5123 59.6045 39.2743 175.7249 39 I 4.4303 8.5893 118.5764 58.4433 39.7549 174.6765 40 E 4.1105 8.4265 122.0271 57.9305 29.7475 176.7633 41 N 4.6301 9.3329 122.2522 53.3214 37.3900 174.1321 42 E 4.1846 7.9628 120.8447 55.8581 30.8844 175.9186 43 K 4.7630 8.6619 127.9935 56.7239 33.1492 176.2100 44 V 4.7746 9.0791 119.5844 59.7341 36.6011 173.9031 45 Q 4.9444 9.1097 124.5519 54.8355 31.0732 174.3752 46 V 4.8552 8.9937 126.4682 61.2180 34.2335 174.5070 47 V 4.9553 8.8829 120.9549 59.4723 35.6531 174.0391 48 N 5.1051 8.5988 123.0933 51.7789 40.2635 175.3034 49 L 3.8144 8.7499 127.6386 57.8370 41.8623 178.9401 50 N 4.4295 8.6651 116.4694 55.7433 38.5430 175.7874 51 N 4.6967 8.2754 111.1129 51.7931 38.4330 175.5094 52 G 3.8939 8.2936 107.1999 45.4652 0.0000 173.8700 53 E 4.1752 8.5325 120.3957 56.6041 30.7328 176.2570 54 R 5.2643 8.3716 121.2628 54.4297 33.6922 174.4758 55 L 4.7021 8.8940 122.4897 54.7167 44.5449 174.0457 56 E 5.1888 8.5650 118.5459 55.3286 32.5824 175.5623 57 T 4.6892 8.6438 117.0659 61.6345 71.2163 171.2810 58 Y 5.3632 8.2627 117.6726 55.3620 41.9203 174.3806 59 V 4.6478 8.3583 119.7738 61.7246 33.6156 174.4926 60 I 4.8750 8.5148 128.6325 59.1548 39.8633 175.1805 61 K 4.3944 9.1806 126.9740 56.6291 32.6342 177.2116 62 G 4.1301 8.9406 112.7578 44.3405 0.0000 172.6069 63 E 4.5970 8.5609 119.7374 55.1920 30.6171 175.3846 64 P 4.5612 0.0000 0.0000 64.3726 31.7389 175.9067 65 N 4.3742 9.2465 117.3322 54.0443 35.9425 175.3814 66 S 4.1864 8.0237 114.2752 59.0277 63.4401 175.0912 67 K 3.9108 8.8333 118.7135 57.2100 30.2626 175.3581 68 T 3.9802 7.7711 116.8038 64.1845 69.6301 173.4858 69 I 5.0176 8.8120 126.0281 59.6182 40.9055 174.0036 70 A 5.6705 8.8902 128.9198 48.8596 22.4517 174.3100 71 L 4.9072 8.4361 121.9531 53.2371 43.6906 175.4522 72 N 5.1043 8.8175 121.4900 52.5105 41.8386 176.8194 73 G 4.0569 8.7642 109.0207 45.0758 0.0000 172.6778 74 P 4.1545 0.0000 0.0000 65.3491 31.1722 178.1443 75 A 3.9748 8.0153 119.0682 54.8347 18.1078 179.0786 76 A 3.8640 8.0855 119.5859 55.3967 18.1448 179.5907 77 R 4.1578 7.9383 114.7475 57.9089 30.1037 177.5542 78 R 4.5297 7.5664 117.3219 55.5113 30.3758 174.8927 79 C 4.7972 7.3479 110.8619 57.4985 32.8558 172.6252 80 E 4.7487 9.0520 118.2948 53.9918 32.9626 175.6995 81 I 3.9356 8.1977 121.7325 63.3779 37.5021 176.8396 82 G 4.0095 9.0443 113.8808 45.1106 0.0000 173.6596 83 D 4.5356 7.8537 120.0437 54.6265 42.3176 175.3270 84 Q 4.9289 8.5796 120.6423 54.7604 30.7410 174.6991 85 L 5.1743 9.1247 123.7958 52.9450 45.5962 175.2894 86 F 5.5256 8.8550 120.1157 55.9606 42.0366 174.7903 87 I 4.9230 8.9284 123.4527 59.6416 40.2137 174.5368 88 I 4.8803 8.9193 128.0349 59.3873 40.5848 174.6640 89 S 4.9485 8.7971 120.2637 56.6499 65.8270 172.1794 90 Y 5.2830 8.6036 121.4731 56.4890 41.3304 174.7706 91 T 4.7494 8.9820 115.4230 60.4804 71.3027 172.5606 92 Q 4.9328 8.7069 126.4313 55.3496 29.8045 175.5625 93 V 4.5589 8.8597 116.8202 59.3064 36.8282 174.6661 94 D 4.7375 8.5961 122.7935 53.1064 40.9589 175.2076 95 P 4.5196 0.0000 0.0000 64.3919 31.6260 177.4107 96 T 3.9822 8.4548 112.1934 64.5468 69.0699 175.8826 97 R 4.2431 7.8988 122.9838 55.5718 30.2349 181.6578 98 E 4.1964 8.4609 112.4996 57.0541 30.1442 176.8138 99 N 4.5786 8.4418 118.7773 53.0149 39.2979 174.9747 100 I 3.9061 8.1345 122.5051 60.7389 37.8711 175.5084 101 K 4.3152 8.4333 126.9609 54.2713 32.3264 174.2254 102 P 4.5877 0.0000 0.0000 62.4034 32.4500 176.1001 103 K 4.2610 8.9642 125.5562 55.7941 33.1858 175.2506 104 L 5.0773 8.4680 127.5677 52.8872 44.1606 176.1139 105 V 4.2569 8.8580 123.6135 61.1790 34.2975 173.5426 106 D 5.1689 8.7612 128.3115 52.8952 41.9974 175.7226 107 L 4.4584 8.9485 126.0582 54.8440 42.6883 177.0580 108 K 4.0656 8.4037 125.5831 56.5589 32.0312 176.1780 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 L 8.17 4.71 0.00 1.55 1.67 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.67 4.55 1.87 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 1.23 1.45 0.91 0.00 0.00 4 S 9.33 5.24 0.00 3.66 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 5 V 8.93 4.72 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 0.76 0.00 0.00 0.97 0.00 0.00 6 L 8.77 4.00 0.00 1.63 1.56 0.64 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.06 4.47 0.00 1.84 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.37 7.81 8 S 7.54 5.12 0.00 3.68 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 9 K 9.00 4.83 0.00 1.62 1.44 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.05 1.23 7.81 10 I 8.95 4.83 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 1.20 0.50 0.91 0.00 0.00 11 S 8.91 4.61 0.00 3.59 3.21 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 0.00 12 Y 8.64 3.71 0.00 3.25 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 13 A 8.08 4.30 1.28 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 0.00 0.00 0.00 14 T 8.40 5.01 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 15 V 8.82 3.95 2.19 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 1.08 0.00 0.00 0.91 0.00 0.00 16 T 8.97 4.45 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 17 G 7.79 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 0.00 0.00 0.00 0.00 18 K 8.30 5.56 0.00 1.72 1.70 0.00 1.12 0.00 0.00 2.27 0.00 0.00 2.65 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.26 7.81 19 D 8.55 4.52 0.00 2.84 2.78 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 20 L 8.53 3.85 0.00 1.55 1.15 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.37 4.91 0.00 3.16 3.01 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 22 Y 7.68 4.47 0.00 3.01 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 23 V 7.39 4.10 1.91 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 0.77 0.00 0.00 0.90 0.00 0.00 *25 S 7.65 4.45 0.00 3.49 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 26 I 7.53 4.75 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.33 0.86 0.00 0.00 27 T 8.84 4.98 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 1.21 0.00 0.00 28 I 8.19 4.89 1.85 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 1.08 0.78 0.90 0.00 0.00 29 D 8.83 4.74 0.00 2.82 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 30 S 8.70 4.25 0.00 4.06 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 31 E 8.83 4.14 0.00 2.17 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 0.00 2.33 2.57 0.00 32 I 7.76 3.71 2.01 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 1.18 0.64 0.91 0.00 0.00 *34 K 8.21 4.21 0.00 1.89 2.01 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 35 Q 8.07 3.92 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 36 A 7.90 4.32 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 37 N 7.62 4.20 0.00 2.89 2.89 0.00 0.00 6.83 7.22 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 38 I 7.78 4.55 1.86 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 1.45 0.69 0.91 0.00 0.00 39 I 8.59 4.43 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 1.38 0.73 0.92 0.00 0.00 40 E 8.43 4.11 0.00 1.98 1.93 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 2.36 2.56 0.00 41 N 9.33 4.63 0.00 2.92 2.96 0.00 0.00 6.96 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 42 E 7.96 4.18 0.00 2.19 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 2.33 2.29 0.00 43 K 8.66 4.76 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.54 7.81 44 V 9.08 4.77 2.14 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 0.64 0.00 0.00 0.97 0.00 0.00 45 Q 9.11 4.94 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 46 V 8.99 4.86 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 0.89 0.00 0.00 0.90 0.00 0.00 47 V 8.88 4.96 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 0.70 0.00 0.00 0.99 0.00 0.00 48 N 8.60 5.11 0.00 2.69 2.69 0.00 0.00 7.09 5.96 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 49 L 8.75 3.81 0.00 1.47 1.59 -0.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.67 4.43 0.00 2.85 2.84 0.00 0.00 6.84 7.51 0.00 0.00 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 8.28 4.70 0.00 2.75 2.86 0.00 0.00 6.06 7.00 0.00 0.00 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 G 8.29 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 53 E 8.53 4.18 0.00 1.92 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 2.40 2.57 0.00 54 R 8.37 5.26 0.00 1.63 1.79 0.00 3.20 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 55 L 8.89 4.70 0.00 1.71 1.70 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.56 5.19 0.00 1.85 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 2.24 2.28 0.00 57 T 8.64 4.69 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 1.09 0.00 0.00 58 Y 8.26 5.36 0.00 3.17 3.01 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 59 V 8.36 4.65 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 0.99 0.00 0.00 0.99 0.00 0.00 60 I 8.51 4.88 1.77 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 1.36 0.74 0.99 0.00 0.00 61 K 9.18 4.39 0.00 1.81 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.42 7.81 62 G 8.94 4.13 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 0.00 0.00 0.00 63 E 8.56 4.60 0.00 1.92 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 2.42 2.27 0.00 64 P 0.00 4.56 0.00 2.18 2.07 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 65 N 9.25 4.37 0.00 2.91 2.99 0.00 0.00 7.07 7.57 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 66 S 8.02 4.19 0.00 4.02 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 67 K 8.83 3.91 0.00 1.90 1.95 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 68 T 7.77 3.98 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 1.26 0.00 0.00 69 I 8.81 5.02 2.07 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 1.33 1.02 0.89 0.00 0.00 70 A 8.89 5.67 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 71 L 8.44 4.91 0.00 1.53 1.50 0.86 0.60 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 72 N 8.82 5.10 0.00 2.14 2.10 0.00 0.00 7.10 7.53 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 73 G 8.76 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 74 P 0.00 4.15 0.00 2.14 2.09 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 75 A 8.02 3.97 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 76 A 8.09 3.86 1.37 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 0.00 0.00 77 R 7.94 4.16 0.00 1.90 1.96 0.00 3.09 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 78 R 7.57 4.53 0.00 1.85 1.88 0.00 3.50 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 79 C 7.35 4.80 0.00 3.04 2.83 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 80 E 9.05 4.75 0.00 1.94 1.80 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 2.19 2.38 0.00 81 I 8.20 3.94 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 1.34 0.45 0.95 0.00 0.00 82 G 9.04 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 83 D 7.85 4.54 0.00 2.69 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 84 Q 8.58 4.93 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 85 L 9.12 5.17 0.00 1.52 1.51 0.89 0.89 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 86 F 8.86 5.53 0.00 2.74 2.62 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 87 I 8.93 4.92 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.88 0.00 0.00 88 I 8.92 4.88 1.81 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 0.98 0.71 0.32 0.00 0.00 89 S 8.80 4.95 0.00 3.79 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 90 Y 8.60 5.28 0.00 2.86 2.78 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 91 T 8.98 4.75 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 1.29 0.00 0.00 92 Q 8.71 4.93 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 93 V 8.86 4.56 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 0.75 0.00 0.00 0.95 0.00 0.00 94 D 8.60 4.74 0.00 2.68 2.56 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 95 P 0.00 4.52 0.00 2.22 2.16 0.00 3.82 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 1.99 1.95 0.00 96 T 8.45 3.98 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 97 R 7.90 4.24 0.00 1.86 1.77 0.00 3.28 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 98 E 8.46 4.20 0.00 1.98 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 0.00 2.23 1.91 0.00 99 N 8.44 4.58 0.00 2.69 2.79 0.00 0.00 7.02 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 0.00 100 I 8.13 3.91 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 1.31 0.75 0.98 0.00 0.00 101 K 8.43 4.32 0.00 1.70 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 102 P 0.00 4.59 0.00 1.92 1.91 0.00 3.70 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 1.99 2.06 0.00 103 K 8.96 4.26 0.00 1.84 1.65 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.43 7.81 104 L 8.47 5.08 0.00 1.49 1.48 0.87 0.80 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 0.00 105 V 8.86 4.26 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 0.99 0.00 0.00 0.91 0.00 0.00 106 D 8.76 5.17 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.95 4.46 0.00 1.92 1.74 0.95 1.21 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 0.00 108 K 8.40 4.07 0.00 1.30 1.63 0.00 0.93 0.00 0.00 1.39 0.00 0.00 2.50 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.25 1.15 7.81 * Residues marked with a * may have inaccurate shift predictions.