NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4536 8.3231 115.5527 56.7217 65.3536 172.9760 9 G 3.9736 7.6169 107.8396 44.9528 0.0000 169.5005 10 P 4.8723 0.0000 0.0000 61.5206 33.3296 174.9393 11 S 4.6825 8.5074 116.0600 58.1637 63.8316 174.2637 12 S 4.3482 8.4762 115.9232 57.4939 63.5373 172.3982 13 P 5.1135 0.0000 0.0000 62.4270 32.4096 175.3904 14 S 4.7171 9.0106 116.3586 56.5090 64.6716 173.1201 15 I 4.4789 8.5452 128.8116 61.6478 36.8936 175.5023 16 D 4.9320 9.2400 126.4994 54.8329 43.6443 176.5624 17 Q 4.5292 7.6852 117.5402 54.9527 32.5644 172.8610 18 V 4.6631 8.4879 125.9432 61.1139 34.3081 174.4537 19 E 4.4250 9.0892 128.3791 54.0512 30.7378 173.1901 20 P 4.4995 0.0000 0.0000 62.1044 32.9546 175.7208 21 Y 4.9164 8.6594 120.7983 57.0523 40.5558 176.5500 22 S 4.4825 8.9679 114.1826 61.6745 63.9072 175.2468 23 S 5.2845 8.3401 112.0749 56.5857 64.6977 173.4247 24 T 5.1368 7.8229 109.7019 60.5001 72.8558 172.4329 25 A 4.7892 8.7145 123.3403 50.5783 23.0012 175.0815 26 Q 4.6390 9.0460 122.3144 54.5152 30.7723 174.9207 27 V 4.4763 8.8058 125.3582 61.3043 33.6689 174.1865 28 Q 5.0701 9.2228 128.1880 54.4049 30.8198 174.9629 29 F 5.4656 8.3219 117.9041 55.5614 41.6736 173.1111 30 D 5.1025 9.2936 118.7656 51.8217 42.6906 174.6794 31 E 5.0741 8.4968 119.5369 54.1656 33.3265 172.7596 32 P 4.5829 0.0000 0.0000 62.5413 32.1125 176.1112 33 E 4.0897 8.6002 120.8078 55.9100 30.0478 177.0287 34 A 4.1878 8.5856 126.2199 53.0835 18.8545 177.3881 35 T 4.6096 8.1065 112.0276 61.4822 69.5559 175.0711 *38 V 3.8924 7.7143 121.8328 62.0223 31.4752 172.9456 39 P 4.5317 0.0000 0.0000 62.7169 32.5251 177.0828 40 I 3.8621 8.0918 120.7180 61.6287 37.9587 175.9046 41 L 4.4633 9.2002 125.3958 56.5522 43.2639 176.6064 42 K 5.2092 7.6613 115.4832 55.3728 37.3235 174.5697 43 Y 5.1706 9.5537 118.5014 56.1516 42.1010 174.8822 44 K 4.5491 9.1338 123.4195 54.5190 34.9219 174.6460 45 A 5.2495 9.0924 129.4589 50.7015 21.5614 175.4286 46 E 5.4453 9.5911 120.0615 54.5108 33.8833 174.9716 47 W 6.1721 8.7840 119.0709 55.7363 32.5723 173.7401 48 R 4.7131 8.8206 119.7119 55.1214 33.3998 174.2371 49 A 3.9595 8.5839 127.9255 50.9980 20.0171 176.8503 50 V 3.4794 7.8829 120.4058 64.8698 31.7399 176.8629 51 G 3.8874 8.9838 115.3875 45.0530 0.0000 172.7436 52 E 4.5652 7.4889 118.3046 54.8713 31.6271 175.3608 53 E 4.3220 8.4013 119.0184 57.3075 31.4675 177.2037 54 V 3.9946 7.3586 117.4330 61.7127 32.4984 174.8386 55 W 4.4872 8.5895 126.6877 56.2932 30.1782 175.9916 56 H 4.5360 8.5743 122.0896 55.3752 29.8159 174.3106 57 S 4.9271 7.7353 113.2105 57.3010 66.2132 173.0013 58 K 4.7545 9.1527 120.6729 55.2707 35.7931 174.7161 59 W 5.2385 8.7165 125.4723 55.8597 31.3178 175.2522 60 Y 4.9333 9.2598 119.4133 56.2219 42.2723 174.4991 61 D 4.7829 9.0676 122.9446 54.0628 42.4590 176.9257 62 A 4.4240 8.9882 129.8524 55.3332 18.8370 179.6182 63 K 3.9702 8.4182 115.2955 59.7922 32.3297 178.1002 64 E 4.1067 8.2430 117.5684 59.3326 29.9038 178.4180 65 A 4.4316 8.6102 122.1378 53.7210 18.7586 178.8145 66 S 4.6338 7.8435 114.5762 58.3607 62.1931 174.9195 *68 E 3.9864 7.9761 118.8825 55.8734 31.9057 176.3622 69 G 3.2398 7.5598 107.0083 46.1785 0.0000 173.0194 70 I 4.9937 7.6156 117.1987 59.1712 42.4552 175.0838 71 V 4.2962 8.7025 120.7559 59.6913 35.6262 174.4365 72 T 4.8622 8.3206 120.1835 61.9312 70.5124 173.7113 73 I 4.0683 8.4449 127.8280 59.9297 39.0250 175.3762 74 V 4.6041 7.7184 118.4101 59.7301 35.7253 175.1463 75 G 3.8461 8.6478 106.6677 46.7438 0.0000 173.8725 76 L 4.5717 8.0128 119.6090 53.5831 43.6655 175.9432 77 K 4.6514 9.3668 120.6337 54.7678 33.2162 175.5639 78 P 4.9244 0.0000 0.0000 62.1581 32.4347 175.3412 79 E 4.0582 8.2244 117.1950 56.9009 27.8749 175.0193 80 T 4.6208 8.1739 113.4242 62.0152 72.6168 173.7256 81 T 4.6578 8.1468 122.0255 62.8641 70.3739 173.3349 82 Y 4.9551 8.4018 123.1822 55.9456 41.9610 174.6849 83 A 5.1331 8.8899 125.0014 51.2045 21.1417 176.7320 84 V 5.6085 9.3481 119.8144 60.4654 35.4271 174.3999 85 R 5.0657 9.5219 118.7984 55.1246 33.6257 173.5618 86 L 5.2585 9.0327 118.4844 53.1386 46.4264 175.5096 87 A 4.9822 9.1528 122.9350 50.1431 23.0152 174.7403 88 A 4.9127 8.4690 120.6922 50.0258 22.3461 175.3949 89 L 5.1901 8.7421 122.7446 53.4450 45.5504 175.4960 90 N 5.1467 8.5764 123.4276 51.0466 40.0388 174.7403 91 G 3.6313 8.8746 108.0013 49.4643 0.0000 175.5909 92 K 4.0503 8.1021 120.3583 55.5041 32.2740 180.3086 93 G 4.0742 7.2295 102.4356 43.4987 0.0000 171.8899 94 L 4.5137 8.2111 122.8648 54.9933 42.6068 177.5515 95 G 4.3471 9.1472 116.8648 44.9596 0.0000 173.4546 96 E 4.2670 8.5494 117.6599 56.3423 30.1816 173.5865 97 I 4.0420 8.1801 123.9860 60.3051 38.8941 175.6669 98 S 4.5259 8.7750 123.1304 57.5946 64.0214 173.6481 99 A 4.2624 8.4357 121.7450 51.9561 18.8523 177.2665 100 A 4.5119 8.5666 121.8407 52.1660 19.8122 177.0969 101 S 5.0584 9.4602 117.3016 56.8867 66.7622 172.5160 102 E 5.3353 8.5659 117.3061 55.7710 32.5170 174.1679 103 F 4.9908 8.3816 114.0591 55.9041 41.8247 172.6214 104 K 5.1434 8.6267 121.0732 54.5721 34.0998 175.8559 105 T 4.3903 9.0952 118.2512 61.9156 70.3597 174.1848 106 Q 4.3865 8.8702 123.1712 54.8850 30.3407 173.8314 107 P 4.8000 0.0000 0.0000 62.1311 32.6732 176.3872 108 V 3.6260 8.3641 120.7215 62.8794 31.6849 176.1623 109 R 4.0417 8.4738 123.8780 55.8607 29.8996 175.8801 110 E 4.0370 8.5854 121.3177 55.2624 30.0377 174.8363 111 P 4.2693 0.0000 0.0000 63.3594 32.0140 176.4440 112 S 4.3610 8.5781 117.0628 58.8315 62.9081 174.1064 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 8.32 4.45 0.00 3.89 4.07 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 0.00 0.00 0.00 0.00 9 G 7.62 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 0.00 0.00 0.00 10 P 0.00 4.87 0.00 2.23 1.99 0.00 3.81 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 11 S 8.51 4.68 0.00 3.89 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 12 S 8.48 4.35 0.00 4.05 4.04 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 0.00 0.00 0.00 13 P 0.00 5.11 0.00 1.77 1.83 0.00 3.80 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 14 S 9.01 4.72 0.00 3.89 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 15 I 8.55 4.48 1.93 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 1.39 0.68 0.97 0.00 0.00 16 D 9.24 4.93 0.00 2.45 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 17 Q 7.69 4.53 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 18 V 8.49 4.66 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 0.38 0.00 0.00 0.96 0.00 0.00 19 E 9.09 4.43 0.00 1.77 1.58 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 2.15 2.32 0.00 20 P 0.00 4.50 0.00 2.15 1.99 0.00 3.45 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 21 Y 8.66 4.92 0.00 3.04 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 22 S 8.97 4.48 0.00 4.06 4.34 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 23 S 8.34 5.28 0.00 3.99 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 24 T 7.82 5.14 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 1.16 0.00 0.00 25 A 8.71 4.79 0.29 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 26 Q 9.05 4.64 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 27 V 8.81 4.48 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 1.06 0.00 0.00 0.74 0.00 0.00 28 Q 9.22 5.07 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.40 0.00 0.00 0.00 0.00 0.00 2.38 2.17 0.00 29 F 8.32 5.47 0.00 2.98 2.88 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 0.00 0.00 0.00 30 D 9.29 5.10 0.00 2.68 2.85 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 31 E 8.50 5.07 0.00 2.45 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 0.00 2.63 2.58 0.00 32 P 0.00 4.58 0.00 2.12 2.01 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 33 E 8.60 4.09 0.00 1.98 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 2.34 2.27 0.00 34 A 8.59 4.19 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 35 T 8.11 4.61 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 1.26 0.00 0.00 *38 V 7.71 3.89 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 0.81 0.00 0.00 0.93 0.00 0.00 39 P 0.00 4.53 0.00 2.21 2.10 0.00 3.77 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 1.99 0.00 40 I 8.09 3.86 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.54 0.43 0.00 0.00 41 L 9.20 4.46 0.00 1.55 1.68 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.66 5.21 0.00 1.97 2.18 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.41 7.81 43 Y 9.55 5.17 0.00 2.92 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 44 K 9.13 4.55 0.00 0.79 1.01 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.62 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.82 0.21 7.81 45 A 9.09 5.25 1.54 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 0.00 0.00 46 E 9.59 5.45 0.00 1.72 1.89 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 2.09 2.09 0.00 47 W 8.78 6.17 0.00 3.67 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.82 4.71 0.00 0.74 0.66 0.00 2.68 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.26 0.00 49 A 8.58 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.88 3.48 1.87 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 0.66 0.00 0.00 0.78 0.00 0.00 51 G 8.98 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 52 E 7.49 4.57 0.00 1.86 1.70 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 2.14 2.31 0.00 53 E 8.40 4.32 0.00 1.87 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 2.16 2.17 0.00 54 V 7.36 3.99 1.97 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 0.76 0.00 0.00 0.90 0.00 0.00 55 W 8.59 4.49 0.00 3.06 3.02 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 56 H 8.57 4.54 0.00 1.40 2.31 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.74 4.93 0.00 3.72 3.62 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 58 K 9.15 4.75 0.00 2.31 1.97 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.57 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.70 1.37 7.81 59 W 8.72 5.24 0.00 3.14 3.13 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 60 Y 9.26 4.93 0.00 3.07 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 61 D 9.07 4.78 0.00 2.86 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 62 A 8.99 4.42 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 63 K 8.42 3.97 0.00 1.82 2.08 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 64 E 8.24 4.11 0.00 2.12 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 0.00 2.43 2.39 0.00 65 A 8.61 4.43 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.84 4.63 0.00 4.12 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 *68 E 7.98 3.99 0.00 1.91 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 2.15 2.26 0.00 69 G 7.56 3.24 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 70 I 7.62 4.99 1.71 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 1.13 1.49 0.83 0.00 0.00 71 V 8.70 4.30 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 0.17 0.00 0.00 0.55 0.00 0.00 72 T 8.32 4.86 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 1.17 0.00 0.00 73 I 8.44 4.07 1.32 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.42 -0.76 0.00 0.00 74 V 7.72 4.60 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 0.66 0.00 0.00 0.93 0.00 0.00 75 G 8.65 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 76 L 8.01 4.57 0.00 1.53 1.50 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 77 K 9.37 4.65 0.00 1.76 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.58 7.81 78 P 0.00 4.92 0.00 1.98 2.14 0.00 3.94 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 79 E 8.22 4.06 0.00 2.12 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 2.28 2.25 0.00 80 T 8.17 4.62 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 81 T 8.15 4.66 4.07 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 0.00 0.00 0.00 1.08 0.00 0.00 82 Y 8.40 4.96 0.00 1.43 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 83 A 8.89 5.13 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 84 V 9.35 5.61 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 1.17 0.00 0.00 1.22 0.00 0.00 85 R 9.52 5.07 0.00 1.85 2.00 0.00 2.29 0.00 0.00 2.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 86 L 9.03 5.26 0.00 1.42 1.29 0.85 0.26 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 87 A 9.15 4.98 1.06 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 88 A 8.47 4.91 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 89 L 8.74 5.19 0.00 1.94 1.82 1.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.58 5.15 0.00 3.05 2.89 0.00 0.00 6.55 7.03 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 91 G 8.87 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 0.00 0.00 0.00 92 K 8.10 4.05 0.00 1.82 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.25 7.81 93 G 7.23 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.21 4.51 0.00 1.79 1.64 0.96 0.99 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 95 G 9.15 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 96 E 8.55 4.27 0.00 1.77 1.75 0.00 0.00 0.00 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 1.88 0.00 97 I 8.18 4.04 1.72 0.00 0.00 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 1.12 0.94 0.76 0.00 0.00 98 S 8.78 4.53 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 99 A 8.44 4.26 1.26 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 0.00 0.00 100 A 8.57 4.51 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 9.46 5.06 0.00 3.84 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 0.00 102 E 8.57 5.34 0.00 1.99 1.89 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 2.21 2.34 0.00 103 F 8.38 4.99 0.00 3.16 3.16 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 0.00 104 K 8.63 5.14 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.43 7.81 105 T 9.10 4.39 4.64 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 1.51 0.00 0.00 106 Q 8.87 4.39 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 107 P 0.00 4.80 0.00 2.09 2.32 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 108 V 8.36 3.63 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 0.86 0.00 0.00 0.96 0.00 0.00 109 R 8.47 4.04 0.00 1.98 1.97 0.00 3.12 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 110 E 8.59 4.04 0.00 1.96 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 0.00 2.30 2.34 0.00 111 P 0.00 4.27 0.00 2.08 2.00 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 112 S 8.58 4.36 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.