NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3053 8.2027 121.9673 55.5622 31.3242 174.0924 2 V 3.7304 7.6129 117.4661 62.4271 31.7584 173.6262 3 Q 4.7333 10.0320 127.4267 54.2214 33.9026 173.7536 4 L 5.2485 8.4834 121.2708 53.2949 46.4146 175.0287 5 Q 4.5658 9.0122 123.9934 54.5335 32.5578 173.6929 6 E 5.1921 8.9940 125.7694 56.1222 31.1957 175.3998 7 S 4.5850 9.4934 116.9539 57.3657 66.9788 174.6457 8 G 3.9420 9.1856 107.2510 45.1937 0.0000 174.0702 9 G 3.7108 7.6891 108.7449 44.5743 0.0000 172.4928 10 G 3.8380 7.2075 105.5890 45.2652 0.0000 170.3945 11 L 4.9420 7.9581 122.0560 54.3138 42.8418 176.8144 12 V 4.6086 8.7301 125.0145 60.0095 35.4061 174.8042 13 Q 4.5276 8.5400 120.6059 54.6514 30.2636 173.9044 14 P 4.4886 0.0000 0.0000 64.4486 31.7947 177.3006 15 G 3.9108 9.3149 110.6414 45.3540 0.0000 173.7399 16 G 3.9880 7.9194 107.6190 45.9637 0.0000 172.6580 17 S 5.4173 8.3596 114.0040 56.9621 67.2613 173.5804 18 L 4.6260 8.6450 120.7574 53.3022 46.6121 174.9007 19 R 4.8218 8.2920 120.9143 54.6238 32.2709 174.8857 20 L 4.6720 8.6343 126.7030 53.9005 43.7990 175.8785 21 S 5.3652 9.2155 117.2929 57.0958 67.3266 172.6200 22 C 5.2718 9.0600 121.6720 55.1925 47.5828 172.4234 23 A 4.7000 8.9053 128.9568 50.6069 20.1383 175.3968 24 A 5.3516 8.1372 125.0475 50.2409 21.4326 175.7060 25 S 4.2239 8.9456 115.3932 57.7910 67.1692 175.1253 26 G 4.1359 10.6788 106.5490 46.4539 0.0000 172.6160 27 F 4.7194 7.0347 112.3759 55.9134 40.6160 174.5605 28 T 4.0991 8.3099 118.0309 62.1156 67.4061 175.4139 29 F 3.7688 8.3764 129.5327 60.9981 39.4117 177.6396 30 S 4.2076 8.0981 112.5561 60.4860 62.7225 174.2606 31 N 4.6480 7.7989 117.0144 53.0944 39.0121 174.2793 32 S 4.7238 7.6174 114.4960 56.0058 64.7132 173.4196 33 A 3.8768 8.0542 128.1741 52.1347 18.9073 176.1647 34 M 5.0104 8.4605 118.4721 53.9222 37.0906 174.3460 35 S 5.2494 8.8961 114.1237 57.3662 67.3894 172.6924 36 W 5.5220 9.4715 120.0764 55.0205 32.5493 175.3289 37 V 5.2325 9.3448 121.8732 60.2664 35.0036 174.2758 38 R 5.0771 9.1228 117.3612 54.7403 33.4204 173.7504 39 Q 4.7812 9.2634 121.1358 54.6873 32.5888 173.5503 40 A 4.8846 8.7286 130.2949 50.2126 21.5192 175.1826 *41 P 4.3360 0.0000 0.0000 63.5757 31.0769 177.9301 42 G 4.0910 8.8573 110.9390 45.1273 0.0000 173.8529 43 K 4.2756 7.7426 118.8328 55.5336 33.0934 176.2184 44 G 4.0311 8.0815 109.6890 43.8342 0.0000 173.3233 45 L 4.3829 8.2282 119.0716 54.9381 42.4086 176.9395 46 E 4.6986 9.3832 123.7426 53.8162 32.6241 174.5960 47 W 4.5388 9.2878 135.0000 58.3261 31.1944 174.7179 48 V 3.9223 8.2105 126.2966 63.8123 32.9281 175.0771 49 S 4.4856 6.6477 111.9134 57.6079 65.7420 173.2211 50 S 5.5646 9.6828 119.4942 57.3756 67.9371 172.8414 51 I 5.3945 8.8994 121.2083 59.4490 41.8481 174.7583 52 S 4.1135 9.2359 123.4987 57.7726 64.0563 175.2865 52A G 3.7370 8.6696 110.0348 49.1601 0.0000 175.1330 53 S 4.1693 7.9422 112.9017 58.9454 63.5820 175.1543 54 G 3.9912 7.9497 108.3885 45.0838 0.0000 174.5360 55 G 3.7917 7.8783 108.5740 47.4661 0.0000 173.9178 56 N 5.1394 8.1862 117.7770 51.7751 42.9128 173.7831 57 T 5.3112 8.2648 112.0505 60.2484 72.5312 172.6192 58 Y 5.1534 9.1957 119.1249 56.5617 42.6253 174.5614 59 S 5.0608 8.8847 116.1602 56.2107 67.0714 173.2875 60 A 4.4936 8.4485 123.8745 52.0205 18.0902 178.4422 61 D 4.3793 9.1279 119.8402 57.5111 41.0887 179.2942 62 S 4.2024 7.9961 111.7061 59.9850 63.5908 174.8303 63 V 3.8911 7.1369 112.9096 59.8940 33.3392 175.6648 64 K 4.1684 7.2663 119.3502 57.6598 32.4941 177.6173 65 G 4.0195 8.9976 109.6404 45.6772 0.0000 173.7391 66 R 4.5822 8.2045 117.6238 56.5052 33.5527 175.6095 67 F 5.5158 8.2295 116.6714 56.0193 41.1460 175.5663 68 T 4.5698 8.9939 120.9943 61.6476 70.6227 173.5232 69 I 4.7785 8.5240 127.5983 61.1722 39.2611 174.6357 70 S 4.9679 9.0199 121.6447 57.8523 66.8450 172.7367 71 R 5.2890 8.5412 115.2494 55.0397 32.8394 174.3970 72 D 4.8925 9.5756 120.4177 52.5839 42.6490 176.1324 73 N 4.6965 9.0158 124.5777 56.0105 39.0267 177.8079 74 A 4.0027 8.2491 120.2138 54.2591 18.6163 178.0392 75 K 4.3430 7.9918 112.2851 55.3687 33.0005 175.9109 76 N 3.3359 7.5831 116.0547 54.1773 36.7217 173.9797 77 S 4.6117 7.3064 111.7394 56.4780 67.6393 174.2448 78 L 5.1657 8.4823 125.7856 53.6588 44.7314 174.6689 79 Y 5.5772 9.3591 121.8266 56.3014 42.8659 174.4865 80 L 4.5432 8.7444 122.9486 53.3618 45.2878 175.3602 81 Q 4.3756 9.0924 130.1089 55.6333 30.0493 174.4438 82 M 4.1622 8.6789 128.3745 53.9045 33.2768 175.5098 82A N 5.2357 8.7135 120.7954 49.8030 42.0896 174.3005 82B S 3.6638 8.4356 111.8397 59.3988 60.9331 172.5439 82C L 4.4758 8.0130 120.1779 55.0117 42.5832 177.3298 83 R 4.9215 9.1457 120.6200 53.8097 33.7281 176.5637 84 A 3.9987 8.7941 122.8605 55.6588 18.2230 179.5399 85 E 4.2627 8.0771 110.3666 57.8985 29.9004 177.1140 86 D 4.7489 8.1729 119.3231 55.7288 41.4339 176.7507 87 T 4.3503 7.9380 117.2133 63.6398 68.8347 173.7033 88 A 4.3593 8.5152 127.8436 51.7144 23.7733 174.9682 89 V 4.3015 8.0581 119.9018 62.6622 32.9367 174.3930 90 Y 5.0864 9.0935 125.8253 56.5769 40.4571 174.3530 91 Y 5.4529 9.5666 121.0647 56.4491 42.0318 172.7049 92 C 4.7528 9.5085 117.9714 54.4076 44.3878 172.6033 93 A 5.3944 8.8428 120.1313 49.7868 22.6436 177.0082 94 R 4.5394 8.3087 117.0444 54.9750 29.7099 174.5564 95 D 4.5568 7.3225 115.7516 52.8457 42.7668 175.0788 96 W 4.1659 8.2522 118.1231 59.3526 28.9754 177.0744 97 Y 4.4834 7.9106 113.3723 57.0060 37.8767 175.3412 98 G 4.2425 8.7162 108.4988 47.3972 0.0000 174.9691 99 M 4.5793 8.6190 115.9267 55.1302 33.0711 176.4144 98 D 4.9225 8.7262 120.0988 56.4972 38.2193 176.3691 99 V 4.2193 8.3690 115.5267 61.9302 33.0711 176.4144 103 W 4.5627 9.0506 124.9713 56.0687 31.1509 175.2646 104 G 4.3031 7.9684 105.9644 43.1708 0.0000 173.3209 105 Q 4.2614 8.6589 116.6349 56.1219 29.1584 177.5735 106 G 3.5649 9.0767 103.1201 45.2261 0.0000 172.5217 107 T 4.6297 8.3483 112.5729 60.4481 71.0628 172.7286 108 T 4.8258 8.5223 124.9761 62.8321 70.6638 173.6168 109 V 4.7225 8.9185 125.9504 61.4290 34.2665 174.2425 110 T 4.9097 8.7795 124.6004 61.6977 71.6970 173.2261 111 V 4.3990 8.6495 127.9328 62.0177 32.0544 175.8855 112 S 4.4246 9.2001 123.6398 58.2221 63.4529 174.2111 113 S 4.4002 8.4275 118.7878 58.6895 62.9870 174.2984 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 Q 8.20 4.31 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 2 V 7.61 3.73 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 -0.92 0.00 0.00 0.38 0.00 0.00 3 Q 10.03 4.73 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 4 L 8.48 5.25 0.00 1.69 1.56 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.01 4.57 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 6 E 8.99 5.19 0.00 1.87 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 2.72 2.50 0.00 7 S 9.49 4.59 0.00 3.83 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 8 G 9.19 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 9 G 7.69 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 0.00 0.00 0.00 10 G 7.21 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 0.00 0.00 0.00 11 L 7.96 4.94 0.00 1.64 1.57 0.96 0.81 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 12 V 8.73 4.61 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 0.89 0.00 0.00 13 Q 8.54 4.53 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 14 P 0.00 4.49 0.00 2.04 2.01 0.00 3.71 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 2.04 2.11 0.00 15 G 9.31 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 0.00 0.00 0.00 16 G 7.92 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 17 S 8.36 5.42 0.00 3.68 3.66 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 18 L 8.64 4.63 0.00 1.26 1.27 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.29 4.82 0.00 1.85 1.70 0.00 3.00 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 20 L 8.63 4.67 0.00 0.79 1.25 0.08 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.22 5.37 0.00 3.77 3.72 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 22 C 9.06 5.27 0.00 2.69 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 23 A 8.91 4.70 1.16 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 0.00 0.00 0.00 0.00 0.00 24 A 8.14 5.35 0.97 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 0.00 0.00 25 S 8.95 4.22 0.00 3.76 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 G 10.68 4.14 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 0.00 0.00 0.00 27 F 7.03 4.72 0.00 3.05 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 28 T 8.31 4.10 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 1.19 0.00 0.00 29 F 8.38 3.77 0.00 2.49 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 30 S 8.10 4.21 0.00 3.99 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 31 N 7.80 4.65 0.00 2.89 2.88 0.00 0.00 6.74 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 32 S 7.62 4.72 0.00 4.00 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 33 A 8.05 3.88 -0.45 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 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.46 5.01 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 35 S 8.90 5.25 0.00 4.30 4.32 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 36 W 9.47 5.52 0.00 3.28 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 37 V 9.34 5.23 2.31 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 1.22 0.00 0.00 1.14 0.00 0.00 38 R 9.12 5.08 0.00 0.99 0.99 0.00 2.43 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 39 Q 9.26 4.78 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 40 A 8.73 4.88 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 *41 P 0.00 4.34 0.00 2.10 1.88 0.00 3.85 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 1.94 1.60 0.00 42 G 8.86 4.09 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 0.00 0.00 0.00 43 K 7.74 4.28 0.00 1.92 1.78 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.44 7.81 44 G 8.08 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 45 L 8.23 4.38 0.00 1.57 1.68 0.88 0.80 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 46 E 9.38 4.70 0.00 2.00 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 2.27 2.31 0.00 47 W 9.29 4.54 0.00 3.44 3.25 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 48 V 8.21 3.92 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 1.14 0.00 0.00 1.01 0.00 0.00 49 S 6.65 4.49 0.00 3.82 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 50 S 9.68 5.56 0.00 4.51 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 0.00 51 I 8.90 5.39 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.84 0.95 0.00 0.00 52 S 9.24 4.11 0.00 4.14 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 0.00 52A G 8.67 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 53 S 7.94 4.17 0.00 4.00 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 54 G 7.95 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 55 G 7.88 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 0.00 0.00 0.00 56 N 8.19 5.14 0.00 2.89 2.51 0.00 0.00 6.32 6.94 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 57 T 8.26 5.31 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 1.26 0.00 0.00 58 Y 9.20 5.15 0.00 3.46 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 59 S 8.88 5.06 0.00 3.80 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 60 A 8.45 4.49 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 61 D 9.13 4.38 0.00 2.78 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 62 S 8.00 4.20 0.00 3.91 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 63 V 7.14 3.89 1.08 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 0.30 0.00 0.00 0.80 0.00 0.00 64 K 7.27 4.17 0.00 1.89 1.93 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.36 7.81 65 G 9.00 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 0.00 0.00 0.00 66 R 8.20 4.58 0.00 1.72 2.23 0.00 3.25 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 67 F 8.23 5.52 0.00 2.71 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 68 T 8.99 4.57 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 69 I 8.52 4.78 2.08 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.38 1.06 0.00 0.00 70 S 9.02 4.97 0.00 4.05 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 71 R 8.54 5.29 0.00 2.20 2.04 0.00 2.93 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 72 D 9.58 4.89 0.00 2.94 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 73 N 9.02 4.70 0.00 2.86 2.93 0.00 0.00 6.93 7.54 0.00 0.00 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 A 8.25 4.00 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 75 K 7.99 4.34 0.00 1.76 1.78 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.74 7.81 76 N 7.58 3.34 0.00 2.56 2.40 0.00 0.00 6.75 7.42 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 77 S 7.31 4.61 0.00 3.52 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 78 L 8.48 5.17 0.00 1.91 1.37 1.11 -0.02 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 79 Y 9.36 5.58 0.00 2.99 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 L 8.74 4.54 0.00 0.27 0.32 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.09 4.38 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 82 M 8.68 4.16 0.00 0.76 1.43 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 0.00 82A N 8.71 5.24 0.00 2.76 2.73 0.00 0.00 7.02 7.60 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 82B S 8.44 3.66 0.00 3.96 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 82C L 8.01 4.48 0.00 1.86 1.61 0.82 0.74 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 83 R 9.15 4.92 0.00 1.91 1.79 0.00 3.11 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 84 A 8.79 4.00 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 85 E 8.08 4.26 0.00 2.10 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 86 D 8.17 4.75 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 87 T 7.94 4.35 4.38 0.00 0.00 0.00 0.00 0.00 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 88 A 8.52 4.36 1.11 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 0.00 0.00 89 V 8.06 4.30 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 0.42 0.00 0.00 0.96 0.00 0.00 90 Y 9.09 5.09 0.00 3.03 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 91 Y 9.57 5.45 0.00 2.92 2.89 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 92 C 9.51 4.75 0.00 2.14 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 93 A 8.84 5.39 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 94 R 8.31 4.54 0.00 1.57 1.77 0.00 2.21 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 95 D 7.32 4.56 0.00 2.83 2.70 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 96 W 8.25 4.17 0.00 1.78 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 97 Y 7.91 4.48 0.00 3.17 2.90 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 98 G 8.72 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 M 8.62 4.58 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 98 D 8.73 4.92 0.00 2.66 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 99 V 8.37 4.22 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 0.71 0.00 0.00 0.93 0.00 0.00 103 W 9.05 4.56 0.00 3.25 3.26 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 0.00 104 G 7.97 4.30 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 0.00 105 Q 8.66 4.26 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 106 G 9.08 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 0.00 0.00 0.00 107 T 8.35 4.63 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 1.25 0.00 0.00 108 T 8.52 4.83 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 0.00 109 V 8.92 4.72 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 0.87 0.00 0.00 0.51 0.00 0.00 110 T 8.78 4.91 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 1.23 0.00 0.00 111 V 8.65 4.40 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 0.72 0.00 0.00 0.99 0.00 0.00 112 S 9.20 4.42 0.00 3.87 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 0.00 113 S 8.43 4.40 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.