NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.5275 8.4401 118.9258 56.2269 31.2859 174.4478 3 A 4.6197 9.0712 123.0675 49.2073 21.8454 173.6920 4 K 5.1332 9.0020 124.1460 54.8554 36.0963 173.2617 5 A 4.7404 8.3241 123.8377 50.8396 22.9114 175.4156 6 I 5.0400 8.2219 120.0433 59.3813 41.5035 174.5994 7 A 4.6567 8.7843 126.8846 50.2281 21.5484 175.5507 8 R 4.3918 8.4496 120.7958 54.4010 33.2800 174.9674 9 Y 3.6821 7.8786 115.0818 58.9341 35.7025 171.0461 10 V 3.4214 7.5184 119.6002 62.8972 32.4961 176.8301 11 R 4.3767 8.0070 129.2357 55.1006 28.7880 176.4812 12 I 4.6733 6.8842 117.2969 59.2211 41.8639 176.0438 13 S 4.2796 8.5864 118.9775 57.6315 63.7639 173.1957 14 P 4.3906 0.0000 0.0000 65.1599 30.8114 178.6857 15 R 3.8892 8.0126 116.6484 59.5607 29.5933 178.5789 16 K 4.0196 7.8039 118.1019 59.5027 32.0542 179.6214 17 V 3.4910 7.7606 118.0883 65.9593 31.5210 178.0806 18 R 3.9826 8.3236 118.1444 59.2658 29.6492 178.9932 19 L 4.0782 7.5312 117.8805 57.3525 41.8896 179.5089 20 V 3.7996 7.2649 118.1375 66.0655 31.5189 178.6354 21 V 3.7228 7.9443 111.8845 64.2684 31.0520 178.2510 22 D 4.4291 7.9515 118.2942 57.3152 40.6597 178.4307 23 L 4.1904 7.7577 118.8876 56.7374 41.9779 178.3981 24 I 4.3291 7.5468 110.8985 59.7082 38.3013 175.3287 25 R 4.0680 7.1700 122.0981 58.1556 30.0452 176.6515 26 G 4.1470 9.0443 114.1795 45.4888 0.0000 173.6838 27 K 4.3595 7.9114 119.6458 55.5786 33.0684 176.7257 28 S 4.6717 8.3138 115.6128 57.8295 65.1887 174.8699 29 L 3.9171 8.6233 124.8424 58.4990 41.7308 179.0385 30 E 3.9350 8.1687 118.4896 59.3677 29.6571 178.4826 31 E 3.9694 8.0988 117.8615 59.4038 29.5842 179.1454 32 A 4.0348 8.3611 121.1377 55.2682 18.4182 179.8274 33 R 3.8670 8.1685 116.5395 59.5752 30.1267 179.1264 34 N 4.4148 8.0796 115.8683 56.2053 38.5427 177.5810 35 I 3.7772 7.8820 121.2534 64.5326 37.0227 178.5250 36 L 4.0103 7.7683 118.4505 57.7577 41.4714 179.2975 37 R 3.8449 7.7463 117.9540 58.6041 30.0667 177.1393 38 Y 4.6213 7.4634 113.5444 57.0966 39.0811 176.0126 39 T 4.0891 7.3496 115.3135 62.0482 68.0027 173.5734 40 N 4.6229 8.5614 124.5881 54.5483 39.7479 175.6885 41 K 4.0673 7.6320 118.7462 56.3555 32.6695 176.3393 42 R 4.0176 8.3692 123.5456 57.7994 30.5157 176.6892 43 G 4.2078 9.0830 112.3760 45.4125 0.0000 174.9084 44 A 3.9961 7.7687 121.1400 55.2671 18.2769 179.2281 45 Y 3.8316 7.8625 117.5664 60.8295 38.9413 178.2650 46 F 4.1267 7.7385 118.2534 60.4125 39.0311 177.7258 47 V 3.5760 7.6883 117.6390 65.7627 31.2922 177.8900 48 A 3.8814 8.0309 120.7195 54.9579 18.1851 179.5264 49 K 3.6494 7.6267 118.0503 59.6170 32.2499 179.2913 50 V 3.5316 7.5950 118.3060 65.6299 31.4109 177.7014 51 L 3.8810 8.1625 120.5809 58.3429 41.9067 178.9677 52 E 3.9927 8.2863 118.4290 59.3248 29.3088 179.5647 53 S 4.0699 8.0457 115.2668 61.3821 62.7773 176.5302 54 A 3.9449 8.1568 123.3610 55.0484 18.0442 179.5310 55 A 3.8878 8.1272 119.1178 55.2243 18.3397 179.7524 56 A 3.9021 8.2261 119.4793 55.2373 18.3292 179.4177 57 N 4.1941 8.2549 115.4466 56.6208 38.7555 177.1146 58 A 4.0049 8.2444 122.4237 55.1671 18.4425 179.8679 59 V 3.6022 8.0337 116.9241 66.0542 31.5102 177.7408 60 N 4.6066 8.2759 114.4168 54.6245 39.0770 175.8332 61 N 4.6438 8.0505 113.5725 53.9594 39.7384 175.1987 62 H 4.6425 7.7997 112.1347 54.3377 29.6431 172.1092 63 D 4.4277 7.3245 121.6513 53.1893 38.6560 172.8930 *65 L 4.0957 7.9511 122.5133 54.0818 42.9476 178.0676 66 E 3.9602 8.8312 124.5709 59.2501 29.7250 177.6968 67 D 4.6891 8.0793 115.1052 54.4167 39.8749 176.3484 68 R 4.6175 7.9847 118.5238 56.1200 32.0624 175.7204 69 L 4.9929 7.8560 121.3339 54.7383 43.0584 175.6374 70 Y 5.2043 8.6725 120.0247 55.3324 42.4112 174.8637 71 V 3.8390 9.3635 122.1702 62.1989 30.6201 176.2274 72 K 3.8213 8.0660 129.0911 58.6942 32.8981 176.7579 73 A 4.8803 7.7022 119.3970 50.6690 22.8887 175.4232 74 A 4.9427 8.6165 122.6505 51.1603 22.0510 175.1169 75 Y 4.8948 8.4300 119.9538 56.0783 42.1656 173.8096 76 V 4.8651 8.4880 119.6623 61.3935 33.9690 174.3417 77 D 5.0890 9.1706 127.8335 52.3849 43.7897 175.3134 78 E 4.2810 8.7932 122.7020 56.4457 30.3671 176.5273 79 G 4.2512 8.4431 114.9839 43.6321 0.0000 171.1492 80 P 4.6459 0.0000 0.0000 63.1470 32.2248 175.6844 81 A 4.6541 8.4900 122.7208 51.0392 20.9868 176.1012 82 L 4.4860 9.1053 122.5713 53.4211 44.3310 176.0133 83 K 4.7645 8.6512 126.7609 55.0938 31.5238 175.0031 84 R 4.0040 8.7551 125.4519 56.0582 31.3585 174.9548 85 V 4.3016 8.4023 126.9314 62.1298 32.2246 175.2102 86 L 4.7263 8.5975 128.4069 52.2696 43.8017 174.9448 87 P 4.3692 0.0000 0.0000 62.3112 31.8909 176.9073 88 R 3.9656 8.5204 119.5010 56.9242 30.5868 176.0684 89 A 4.5408 8.8791 124.6092 51.2095 20.8254 176.6114 90 R 3.7973 9.7593 123.8040 57.7233 27.7558 177.6841 91 G 3.9334 8.4183 103.0324 45.4900 0.0000 173.4651 92 R 4.6050 7.8696 119.6407 53.5618 32.8650 174.6631 93 A 4.2183 8.4668 125.6507 52.3363 18.9528 176.8577 94 D 4.8307 8.6265 122.2067 52.4830 43.2597 173.8746 95 I 5.0925 8.2938 125.9521 59.1381 39.9681 175.0200 96 I 4.5760 8.4254 120.5555 58.9068 40.3636 174.7463 97 K 4.7758 8.6393 124.6707 55.7357 33.3034 176.1793 98 K 4.5679 9.1377 124.7019 54.5681 34.5715 175.8808 99 R 4.5672 8.7180 124.7997 56.1727 31.3099 176.3712 100 T 4.6573 8.2000 111.9865 60.5485 71.9952 173.1883 101 S 5.0677 8.8237 117.3205 56.8819 66.5663 173.1096 102 H 4.8969 9.0215 123.4355 54.6682 31.8263 172.5711 103 I 4.7817 8.4640 127.7301 59.8484 39.5737 175.0258 104 T 4.7853 8.3234 123.0686 61.5210 72.1308 173.1888 105 V 4.7308 8.3850 124.9953 61.0692 35.2810 174.0013 106 I 4.9422 9.1009 128.3477 59.5190 40.3076 174.3070 107 L 4.8466 9.2988 127.6902 53.1460 44.1155 175.9435 108 G 4.3743 8.1920 109.0876 44.5995 0.0000 170.5516 109 E 5.3037 8.6948 118.7365 54.4516 31.2258 176.9313 110 K 4.0072 8.4876 122.5200 56.6258 31.5700 176.2692 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 E 8.44 4.53 0.00 2.09 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 0.00 2.14 2.29 0.00 3 A 9.07 4.62 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 4 K 9.00 5.13 0.00 1.72 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.34 7.81 5 A 8.32 4.74 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 6 I 8.22 5.04 1.76 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 1.14 0.62 0.66 0.00 0.00 7 A 8.78 4.66 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 8 R 8.45 4.39 0.00 1.21 0.66 0.00 3.22 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.37 0.00 9 Y 7.88 3.68 0.00 3.10 2.93 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 10 V 7.52 3.42 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 0.36 0.00 0.00 0.72 0.00 0.00 11 R 8.01 4.38 0.00 1.79 1.87 0.00 3.39 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 12 I 6.88 4.67 1.85 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.32 0.96 0.00 0.00 13 S 8.59 4.28 0.00 4.01 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 14 P 0.00 4.39 0.00 2.19 2.18 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 2.13 2.18 0.00 15 R 8.01 3.89 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 16 K 7.80 4.02 0.00 1.99 1.88 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.76 3.49 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 1.09 0.00 0.00 0.98 0.00 0.00 18 R 8.32 3.98 0.00 2.08 1.99 0.00 3.20 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 19 L 7.53 4.08 0.00 1.79 1.76 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.26 3.80 2.28 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 1.05 0.00 0.00 1.02 0.00 0.00 21 V 7.94 3.72 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 0.99 0.00 0.00 1.00 0.00 0.00 22 D 7.95 4.43 0.00 2.92 2.76 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 23 L 7.76 4.19 0.00 1.76 1.75 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.55 4.33 1.88 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 1.56 0.97 0.92 0.00 0.00 25 R 7.17 4.07 0.00 1.91 1.94 0.00 3.33 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 26 G 9.04 4.15 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 0.00 27 K 7.91 4.36 0.00 1.91 1.78 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 28 S 8.31 4.67 0.00 4.10 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 29 L 8.62 3.92 0.00 1.88 1.74 0.91 1.09 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 E 8.17 3.93 0.00 2.09 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 2.40 2.42 0.00 31 E 8.10 3.97 0.00 2.23 2.01 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 2.36 2.35 0.00 32 A 8.36 4.03 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 33 R 8.17 3.87 0.00 2.06 1.97 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 34 N 8.08 4.41 0.00 2.99 3.00 0.00 0.00 7.05 8.62 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 35 I 7.88 3.78 2.04 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 1.57 0.69 0.94 0.00 0.00 36 L 7.77 4.01 0.00 1.73 1.68 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.75 3.84 0.00 1.68 1.67 0.00 2.92 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.33 0.00 38 Y 7.46 4.62 0.00 3.06 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 39 T 7.35 4.09 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 1.29 0.00 0.00 40 N 8.56 4.62 0.00 2.75 2.84 0.00 0.00 7.06 6.68 0.00 0.00 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 K 7.63 4.07 0.00 1.84 1.75 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.41 7.81 42 R 8.37 4.02 0.00 1.81 1.88 0.00 3.26 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 43 G 9.08 4.21 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 0.00 0.00 0.00 44 A 7.77 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.86 3.83 0.00 2.89 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 46 F 7.74 4.13 0.00 3.29 3.03 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 47 V 7.69 3.58 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 1.07 0.00 0.00 1.01 0.00 0.00 48 A 8.03 3.88 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 49 K 7.63 3.65 0.00 1.37 1.79 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.29 7.81 50 V 7.59 3.53 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 0.83 0.00 0.00 0.96 0.00 0.00 51 L 8.16 3.88 0.00 1.80 1.80 0.88 0.85 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 52 E 8.29 3.99 0.00 1.95 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 2.47 2.43 0.00 53 S 8.05 4.07 0.00 4.01 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 54 A 8.16 3.94 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 55 A 8.13 3.89 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 56 A 8.23 3.90 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 57 N 8.25 4.19 0.00 2.94 3.00 0.00 0.00 7.11 8.02 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 58 A 8.24 4.00 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 59 V 8.03 3.60 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 1.02 0.00 0.00 0.95 0.00 0.00 60 N 8.28 4.61 0.00 2.87 2.84 0.00 0.00 7.04 8.85 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 61 N 8.05 4.64 0.00 2.93 2.69 0.00 0.00 6.73 8.16 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 62 H 7.80 4.64 0.00 3.22 3.28 0.00 6.00 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.32 4.43 0.00 2.85 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 *65 L 7.95 4.10 0.00 1.75 1.79 0.93 0.82 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 66 E 8.83 3.96 0.00 2.00 1.96 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 2.39 2.32 0.00 67 D 8.08 4.69 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 68 R 7.98 4.62 0.00 1.82 2.00 0.00 3.13 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 69 L 7.86 4.99 0.00 1.59 1.58 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.67 5.20 0.00 3.16 2.95 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 71 V 9.36 3.84 2.22 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 0.92 0.00 0.00 0.91 0.00 0.00 72 K 8.07 3.82 0.00 1.23 1.70 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 73 A 7.70 4.88 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 74 A 8.62 4.94 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 75 Y 8.43 4.89 0.00 3.00 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 76 V 8.49 4.87 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 0.89 0.00 0.00 0.94 0.00 0.00 77 D 9.17 5.09 0.00 2.61 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 78 E 8.79 4.28 0.00 1.99 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 2.30 2.32 0.00 79 G 8.44 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 0.00 0.00 0.00 0.00 80 P 0.00 4.65 0.00 2.20 2.28 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 81 A 8.49 4.65 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 82 L 9.11 4.49 0.00 1.79 1.52 0.90 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.65 4.76 0.00 1.67 1.76 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.43 7.81 84 R 8.76 4.00 0.00 1.91 1.95 0.00 3.08 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 85 V 8.40 4.30 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 0.84 0.00 0.00 0.93 0.00 0.00 86 L 8.60 4.73 0.00 1.67 1.57 0.98 0.98 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 87 P 0.00 4.37 0.00 2.04 1.98 0.00 3.70 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 2.03 2.11 0.00 88 R 8.52 3.97 0.00 1.79 1.89 0.00 3.14 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 89 A 8.88 4.54 1.22 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 0.00 0.00 0.00 90 R 9.76 3.80 0.00 1.92 1.98 0.00 3.26 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 G 8.42 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 0.00 0.00 0.00 92 R 7.87 4.61 0.00 1.79 1.74 0.00 3.10 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 93 A 8.47 4.22 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 94 D 8.63 4.83 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 95 I 8.29 5.09 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 1.40 0.80 0.91 0.00 0.00 96 I 8.43 4.58 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 1.23 0.81 0.91 0.00 0.00 97 K 8.64 4.78 0.00 1.67 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 98 K 9.14 4.57 0.00 1.59 1.70 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.52 7.81 99 R 8.72 4.57 0.00 1.70 1.86 0.00 3.21 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 100 T 8.20 4.66 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 1.32 0.00 0.00 101 S 8.82 5.07 0.00 3.68 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 0.00 102 H 9.02 4.90 0.00 3.15 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.46 4.78 1.76 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 1.18 0.55 0.81 0.00 0.00 104 T 8.32 4.79 2.73 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 0.93 0.00 0.00 105 V 8.38 4.73 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 0.90 0.00 0.00 0.83 0.00 0.00 106 I 9.10 4.94 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.06 0.95 0.00 0.00 107 L 9.30 4.85 0.00 1.48 1.48 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.19 4.37 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 0.00 109 E 8.69 5.30 0.00 1.92 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 2.28 2.36 0.00 110 K 8.49 4.01 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.