NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.5604 8.1693 120.6478 54.2862 43.7426 177.2846 6 S 4.0989 8.3026 115.3023 60.7681 63.2879 173.8118 7 G 3.9463 8.5529 110.6799 45.0568 0.0000 173.9176 8 T 4.0586 8.3765 116.3467 63.5131 69.3935 174.0340 9 W 5.0830 8.5717 124.6459 55.3704 31.8929 174.5833 10 Y 5.0222 9.2588 122.2728 56.5003 39.9030 175.3944 11 V 5.0536 8.7434 116.5079 59.6803 36.6137 174.1688 12 L 5.3323 8.7177 120.9713 53.6156 43.3222 176.2979 13 E 4.8690 9.2319 121.5756 54.7466 33.5816 174.5427 14 G 4.1992 8.8220 109.7457 45.4437 0.0000 176.2450 15 D 4.6039 7.5261 123.6062 52.6595 41.6299 173.7429 16 P 4.3439 0.0000 0.0000 64.3138 31.6242 177.4567 17 G 3.9938 8.8644 111.0295 45.7365 0.0000 173.1162 18 E 4.0603 7.9923 121.7913 55.9895 29.6127 175.2332 19 H 5.2775 8.4128 122.2499 53.4348 32.4353 172.9740 20 L 4.3008 8.4362 122.0188 54.7046 41.6155 175.0136 21 V 4.8478 8.2821 126.4067 60.9827 33.9323 174.9837 22 V 4.5078 8.9572 126.5758 59.9320 34.7249 174.3379 23 E 5.0325 8.7756 122.8582 55.2874 30.5323 175.0303 24 A 4.5153 8.5939 126.4112 51.4701 23.3386 176.1618 25 L 3.4546 8.2470 118.1654 56.0866 39.6774 176.0850 26 G 3.9450 8.6732 110.5644 47.1167 0.0000 172.7276 27 E 4.4604 7.6467 116.5389 55.4631 31.8757 173.3888 28 R 4.7580 8.4208 116.3829 55.5402 32.3122 175.6842 29 L 5.7262 8.7161 121.8778 52.3650 46.6379 175.7471 30 S 4.9442 7.6740 114.5907 55.7951 66.2325 172.2116 31 G 3.7646 8.5153 104.3152 44.5959 0.0000 172.3611 32 I 4.5994 7.2715 122.3289 58.8396 41.3836 174.2826 33 W 5.0017 9.4829 125.8757 55.4331 31.7739 176.8882 34 T 4.6328 9.7381 119.8215 64.6739 68.9746 175.7752 35 S 4.6966 8.1214 115.5497 56.0248 65.5013 174.5984 36 R 3.0836 7.6420 128.0550 58.7492 29.7952 178.2983 37 E 3.7850 7.6817 119.1821 59.2637 29.6006 178.8518 38 L 3.9717 7.7887 118.2720 57.5487 41.7131 179.2010 39 A 2.5800 7.5783 120.6425 54.8840 18.3294 179.6728 40 E 3.7846 8.3730 117.1644 59.1566 29.2034 179.4957 41 A 3.8856 7.6442 120.5012 54.8140 18.8226 179.1603 42 F 4.1965 8.2260 119.4620 61.3089 39.3859 177.1190 43 L 3.9005 8.0971 119.9336 58.1457 41.6582 178.7687 44 A 3.8615 7.8262 119.5791 54.8537 18.3202 178.3047 45 H 4.6892 7.4066 111.5131 55.6756 30.5021 175.5170 46 H 4.5900 7.6781 117.9799 53.2862 28.5446 171.1349 47 P 4.4092 0.0000 0.0000 62.5589 32.8331 176.5766 48 H 4.4038 8.5821 113.4534 56.7936 25.8356 175.6647 49 L 4.5067 7.4846 117.2942 53.6305 42.5606 176.5606 50 G 3.7749 7.7049 109.1403 45.9353 0.0000 172.6632 *52 R 4.2896 7.3693 118.2395 56.3552 31.8101 175.5639 53 V 4.7310 8.2756 120.2402 62.1994 32.9112 175.2484 54 S 4.8837 9.1406 120.8574 56.6305 66.6923 172.3770 55 A 4.9096 8.6896 123.6436 50.5710 20.8442 176.5531 56 L 4.3293 9.0473 123.3338 53.4723 42.5549 177.0307 57 E 3.9730 8.5668 123.9680 58.3603 30.6690 178.6052 58 S 4.2655 7.5322 113.8009 58.1782 65.0718 175.2413 59 R 3.7414 8.3296 123.2610 59.0776 30.0463 178.5198 60 A 4.1074 7.8026 119.9979 54.3459 18.6642 179.2045 61 L 4.0716 7.5750 117.3343 57.4860 41.9133 179.4114 62 K 3.9949 7.8309 118.6367 59.2072 31.7607 179.2384 63 E 3.9695 8.0644 118.4549 59.5483 29.3418 179.2188 64 A 4.0102 7.9268 120.4284 55.3012 18.4329 179.1623 65 Y 4.0368 8.0208 117.5586 61.0267 38.9767 178.1740 66 L 3.9211 8.3019 119.9064 57.7229 41.4622 179.7480 67 R 4.0154 8.2289 117.6552 58.9280 30.0259 178.5749 68 A 4.1159 7.5351 120.0198 55.0691 18.6078 179.3524 69 L 4.1151 7.6427 117.4133 57.6155 41.6081 180.7490 70 G 3.9126 8.1366 103.7032 45.2384 0.0000 174.4818 *72 L 4.0734 7.6765 117.8520 53.2022 43.2947 176.7173 73 Q 3.3480 7.7294 116.0792 57.0569 26.4960 174.3982 74 V 4.1184 7.8345 118.2029 61.5565 31.9980 174.8493 75 E 4.4346 8.2941 126.7851 57.5019 30.7518 176.1718 76 A 4.9737 7.5876 120.1129 50.3153 22.7601 175.2873 77 V 4.7172 8.2905 114.0101 59.9058 35.8751 176.5797 *79 V 3.7366 8.4049 127.4160 64.7579 32.3033 175.1630 80 D 4.1732 8.1275 128.7460 55.2964 38.8221 173.6696 81 Y 4.1725 7.1358 118.1087 57.6584 39.8657 174.7190 82 R 4.3906 6.7271 119.1447 55.0193 31.2953 172.4388 83 P 4.2522 0.0000 0.0000 63.5390 31.9127 176.0004 84 G 3.8492 8.5375 105.6149 47.1890 0.0000 173.7751 85 T 4.6009 7.5783 114.4416 61.4409 71.1256 174.6909 86 H 4.3451 8.7982 123.2054 58.9017 30.1355 175.5098 87 R 4.6209 7.5316 114.4256 54.3468 34.1079 174.2350 88 A 4.5867 8.2955 121.7952 51.1533 20.6560 176.5610 89 Q 4.5431 8.3761 118.9271 54.4225 30.0704 175.4090 90 V 4.6036 8.4033 123.7552 60.8736 34.3525 174.4326 91 A 4.7097 8.5424 128.3548 49.7820 22.3140 175.7832 92 R 4.3314 8.5888 121.8637 56.0440 30.9871 178.2137 93 V 3.6208 8.7189 122.4497 65.8461 31.3940 178.4437 94 K 3.9472 7.9633 119.1763 59.4258 32.1192 178.3326 95 D 4.3270 7.9121 118.6970 57.4365 40.8957 178.2292 96 L 4.1530 8.0350 119.3258 58.0111 41.6885 179.4706 97 L 3.9894 8.2628 120.1329 58.2980 41.8902 178.5932 98 E 3.9367 8.1449 118.0056 59.1551 29.6239 178.0347 99 E 4.0807 8.4879 118.6311 59.5564 29.8364 178.7535 100 V 3.6526 7.9959 116.9947 65.8188 31.5993 176.3845 101 R 4.2076 7.8539 121.4258 56.6390 30.1490 176.2047 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 5 L 8.17 4.56 0.00 1.84 2.22 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.30 4.10 0.00 4.07 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 7 G 8.55 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 8 T 8.38 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 0.71 0.00 0.00 9 W 8.57 5.08 0.00 3.02 2.79 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 10 Y 9.26 5.02 0.00 3.15 2.97 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 11 V 8.74 5.05 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 0.20 0.00 0.00 0.93 0.00 0.00 12 L 8.72 5.33 0.00 1.72 1.72 1.17 0.87 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 13 E 9.23 4.87 0.00 1.86 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 0.00 2.41 2.34 0.00 14 G 8.82 4.20 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 0.00 15 D 7.53 4.60 0.00 2.77 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 0.00 0.00 0.00 0.00 16 P 0.00 4.34 0.00 2.04 2.02 0.00 3.74 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 2.04 2.11 0.00 17 G 8.86 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 18 E 7.99 4.06 0.00 2.00 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 2.32 2.28 0.00 19 H 8.41 5.28 0.00 3.16 3.32 0.00 5.94 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.44 4.30 0.00 1.87 1.69 1.03 1.04 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 21 V 8.28 4.85 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 0.92 0.00 0.00 0.93 0.00 0.00 22 V 8.96 4.51 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 23 E 8.78 5.03 0.00 1.86 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 2.28 0.00 24 A 8.59 4.52 1.19 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 0.00 0.00 25 L 8.25 3.45 0.00 1.78 1.57 0.90 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 26 G 8.67 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 27 E 7.65 4.46 0.00 2.17 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 2.15 2.28 0.00 28 R 8.42 4.76 0.00 1.93 1.84 0.00 3.05 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 29 L 8.72 5.73 0.00 1.45 1.37 0.85 0.54 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 30 S 7.67 4.94 0.00 3.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 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 32 I 7.27 4.60 1.31 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.51 0.05 0.00 0.00 33 W 9.48 5.00 0.00 3.51 3.18 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 34 T 9.74 4.63 4.51 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 0.00 0.00 0.00 1.34 0.00 0.00 35 S 8.12 4.70 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 36 R 7.64 3.08 0.00 0.99 1.55 0.00 3.20 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 37 E 7.68 3.78 0.00 2.01 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 0.00 2.28 2.37 0.00 38 L 7.79 3.97 0.00 2.03 1.92 1.11 0.85 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 39 A 7.58 2.58 1.14 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 40 E 8.37 3.78 0.00 1.92 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 0.00 2.25 2.34 0.00 41 A 7.64 3.89 1.36 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 42 F 8.23 4.20 0.00 3.06 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 43 L 8.10 3.90 0.00 1.83 1.72 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.83 3.86 1.19 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 0.00 0.00 45 H 7.41 4.69 0.00 3.09 3.15 0.00 5.62 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.68 4.59 0.00 2.72 3.08 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.41 0.00 1.64 1.75 0.00 3.57 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 1.95 2.13 0.00 48 H 8.58 4.40 0.00 3.32 3.43 0.00 5.68 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.48 4.51 0.00 1.52 1.72 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.70 3.77 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 0.00 0.00 0.00 *52 R 7.37 4.29 0.00 1.95 2.14 0.00 2.98 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 53 V 8.28 4.73 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 0.92 0.00 0.00 0.86 0.00 0.00 54 S 9.14 4.88 0.00 3.92 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 55 A 8.69 4.91 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 56 L 9.05 4.33 0.00 1.43 1.48 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.57 3.97 0.00 1.86 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 0.00 2.22 2.27 0.00 58 S 7.53 4.27 0.00 3.79 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 59 R 8.33 3.74 0.00 1.77 1.83 0.00 3.10 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 60 A 7.80 4.11 1.29 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 61 L 7.57 4.07 0.00 1.67 1.65 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.83 3.99 0.00 1.52 1.04 0.00 0.85 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.42 1.10 7.81 63 E 8.06 3.97 0.00 2.19 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 0.00 2.32 2.51 0.00 64 A 7.93 4.01 1.38 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 0.00 0.00 0.00 65 Y 8.02 4.04 0.00 3.23 3.38 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 0.00 66 L 8.30 3.92 0.00 1.96 1.76 1.27 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.23 4.02 0.00 1.77 1.99 0.00 3.17 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 68 A 7.54 4.12 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 69 L 7.64 4.12 0.00 1.73 1.56 0.61 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.14 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 *72 L 7.68 4.07 0.00 1.77 1.73 0.97 0.97 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 73 Q 7.73 3.35 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 74 V 7.83 4.12 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 0.73 0.00 0.00 0.92 0.00 0.00 75 E 8.29 4.43 0.00 2.06 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 2.27 2.23 0.00 76 A 7.59 4.97 1.13 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 77 V 8.29 4.72 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 1.01 0.00 0.00 0.75 0.00 0.00 *79 V 8.40 3.74 1.92 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 0.61 0.00 0.00 0.69 0.00 0.00 80 D 8.13 4.17 0.00 2.74 2.74 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 81 Y 7.14 4.17 0.00 2.66 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 82 R 6.73 4.39 0.00 1.93 1.97 0.00 3.12 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 83 P 0.00 4.25 0.00 2.03 2.01 0.00 3.78 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 2.02 2.12 0.00 84 G 8.54 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.58 4.60 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 1.30 0.00 0.00 86 H 8.80 4.35 0.00 3.06 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.53 4.62 0.00 1.77 1.73 0.00 3.35 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 88 A 8.30 4.59 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 89 Q 8.38 4.54 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 90 V 8.40 4.60 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 0.73 0.00 0.00 0.89 0.00 0.00 91 A 8.54 4.71 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 92 R 8.59 4.33 0.00 2.01 1.85 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 93 V 8.72 3.62 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 1.05 0.00 0.00 0.91 0.00 0.00 94 K 7.96 3.95 0.00 1.85 1.78 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.53 7.81 95 D 7.91 4.33 0.00 2.87 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 96 L 8.04 4.15 0.00 1.82 2.06 0.71 0.34 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 97 L 8.26 3.99 0.00 2.05 1.87 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.14 3.94 0.00 2.01 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 0.00 2.34 2.33 0.00 99 E 8.49 4.08 0.00 2.05 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 0.00 2.38 2.36 0.00 100 V 8.00 3.65 2.21 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 0.78 0.00 0.00 0.90 0.00 0.00 101 R 7.85 4.21 0.00 2.02 1.85 0.00 3.41 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.