NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 T 4.3060 8.2745 112.9174 60.7494 70.3960 173.6731 7 R 4.3407 8.3275 120.7977 55.2017 29.9096 172.6487 8 E 4.7467 7.8468 118.8861 54.6187 34.1722 175.7387 9 R 3.8876 8.5753 125.9276 59.7634 30.3060 178.7994 10 I 3.7387 8.2231 119.5432 64.3075 37.0291 178.2218 11 L 3.9786 7.8773 120.7435 58.4082 41.9918 178.2838 12 H 4.2326 8.8125 118.8488 59.1055 29.7600 177.5506 13 G 3.6918 8.2693 107.6642 47.8292 0.0000 175.7976 14 L 4.0719 8.0516 121.6977 57.5575 41.5736 179.6862 15 I 3.7658 8.0797 120.0131 64.5175 36.9232 178.4026 16 T 3.8775 7.9267 116.6592 66.7973 68.2706 176.4316 17 L 3.9998 7.9409 120.5350 57.9511 41.6866 178.8378 18 Y 3.9655 8.2188 119.4676 60.7598 38.6288 178.2171 19 I 3.5809 8.0691 120.6845 64.4872 37.2747 178.1332 20 L 3.9048 8.0153 119.7774 57.9742 41.2626 179.7274 21 K 3.8893 7.9152 118.2589 59.4075 32.3673 178.4401 22 E 3.9197 7.9022 118.9134 59.3477 28.0716 179.3400 23 L 4.3083 8.0246 120.1988 56.8294 41.3902 179.5880 24 V 3.8649 7.5392 117.8674 65.5795 31.3846 178.0656 25 K 4.1217 7.7013 118.0180 57.4515 32.0437 177.0593 26 R 4.3948 6.6659 112.9192 54.5517 32.2059 172.5055 27 P 4.5698 0.0000 0.0000 62.3004 32.0864 175.7405 *29 H 4.9873 8.3569 115.0646 55.6925 30.9896 174.7674 30 G 3.8144 9.0523 109.1035 48.2963 0.0000 175.6205 31 Y 4.3162 8.1692 119.4257 59.8391 38.1185 178.0623 32 E 3.7264 7.2846 120.1049 59.0720 29.4148 178.9497 33 L 4.0362 7.4265 117.6691 57.7879 41.7322 179.0453 34 Q 4.0778 7.9324 118.6003 58.9617 29.2539 177.9566 35 K 4.3509 8.1889 120.9798 59.3441 32.3062 179.9865 36 S 4.5070 8.1073 112.6480 58.8069 62.7407 175.8214 *38 F 5.5281 7.9314 125.2237 59.4549 40.7365 176.8414 39 E 3.9260 8.3236 118.5913 59.3484 29.4910 178.5094 40 T 4.1754 8.0663 115.3984 65.5815 68.7850 175.6017 41 T 4.2658 8.0744 109.1917 60.9418 70.4466 175.4160 42 G 4.0375 8.9567 109.6705 44.9704 0.0000 172.4799 43 Q 4.4176 8.2298 120.7185 53.7554 31.2559 173.8696 44 A 4.3558 7.7706 127.7610 49.8128 20.3611 176.6733 45 L 4.0651 8.0925 123.6289 53.6685 42.6433 175.5450 46 P 4.3317 0.0000 0.0000 62.2634 31.9575 175.7235 47 Q 4.0725 8.5149 118.4698 58.2392 29.1523 177.8849 48 G 4.2142 9.0359 111.0454 45.9609 0.0000 175.2345 49 S 4.0928 8.0750 114.2156 61.2054 62.2502 175.5143 50 I 3.4779 7.6123 121.0149 64.5038 37.4913 177.2038 51 Y 4.2574 7.4743 116.6791 60.6520 37.6941 178.1682 52 I 3.7622 7.6274 120.6432 64.2901 37.1093 177.9150 53 L 3.9451 7.5942 119.8859 58.1911 41.9357 178.7448 54 L 4.0014 7.6357 118.1323 57.3074 41.7396 178.9916 55 K 4.1885 8.1245 119.7403 59.7712 32.1448 179.9833 56 T 3.9350 7.6525 113.1242 64.1563 68.3682 176.2024 *58 K 4.6594 7.9135 121.8394 56.7424 34.0571 178.2074 59 E 3.9584 8.0378 116.9971 59.3601 29.3999 178.6458 60 R 3.6179 7.5716 116.4923 57.2567 30.1398 177.6629 61 G 3.8893 7.7000 105.6028 45.2913 0.0000 174.1600 62 F 4.8777 7.6387 119.1450 58.9187 40.3649 175.6499 63 V 5.1108 7.7602 117.3842 61.2501 35.4641 173.6256 64 I 4.7759 9.1462 127.3445 59.5365 39.9680 174.8001 65 S 5.1007 8.6748 120.4762 56.7081 65.5965 172.9929 66 E 4.5708 8.9132 122.1969 54.6995 32.4195 174.2646 67 S 5.2244 8.7558 122.5749 56.9934 65.5662 173.6395 68 S 4.8649 9.4812 120.2392 56.7626 66.4661 172.9734 69 V 4.6762 8.0575 120.2561 62.8383 33.7806 172.6036 70 N 4.0699 9.3274 126.2007 54.9397 36.0481 176.4188 *72 K 4.1482 8.8986 118.8247 54.9734 34.8093 176.4539 73 G 3.8643 8.5761 107.0995 45.7716 0.0000 173.4860 74 Q 4.4697 8.3622 118.2046 54.5525 30.9166 174.5982 75 Q 4.8405 8.4693 123.1389 55.1308 30.3472 174.6735 76 L 4.7790 9.2097 127.0468 53.4632 44.3257 175.4423 77 T 4.9854 8.6498 120.5906 61.5217 71.1332 173.9526 78 V 4.3005 8.4317 125.4675 61.2059 34.5807 173.6138 79 Y 5.1570 8.4731 124.1387 56.7101 40.7157 174.1636 80 H 4.9568 9.0359 119.9728 53.7225 32.4598 172.9175 81 I 4.4562 8.5139 123.8674 61.2726 38.8436 175.5652 82 T 4.4401 8.6484 119.6106 60.7702 70.7485 175.5650 83 D 4.3766 8.7561 120.8148 57.2836 40.6573 178.9199 84 A 4.2079 8.0993 121.2948 55.0436 18.4970 179.7121 85 G 3.4299 8.2690 104.3333 47.8404 0.0000 176.1472 86 K 4.0078 8.0328 120.0419 58.9528 32.1210 179.0473 87 K 4.0697 7.9390 119.0552 59.4801 32.4521 178.2900 88 F 4.1962 8.3203 120.9999 61.0180 38.8960 177.0121 89 L 3.7215 7.6875 115.6708 56.5364 41.3618 177.8841 *91 D 4.5956 7.9490 118.3128 54.0834 42.5444 176.0417 92 H 4.5230 7.8677 113.2723 55.3668 28.6347 175.3853 93 S 4.6828 7.2615 112.3078 58.0312 63.3477 175.0851 94 Q 4.0639 7.9986 120.1160 58.0480 28.9167 176.4239 95 A 4.7574 7.6575 120.1803 51.5680 19.8671 178.0194 96 L 4.0203 7.9069 122.3452 59.1457 41.7064 178.9685 97 Q 3.9505 8.0087 119.3299 59.0090 29.0495 177.9328 98 L 3.9028 7.8685 120.6284 58.0210 42.1792 178.3032 99 A 3.9798 8.0873 120.8460 55.4461 18.2122 179.6257 100 R 3.8199 8.0896 116.8885 59.4746 30.2810 178.8211 101 K 3.9503 7.9835 118.1114 59.5538 31.9520 179.4406 102 I 3.7485 7.9456 120.0548 64.3908 37.0549 178.5566 103 I 3.6953 7.9842 120.8249 64.3977 36.6907 178.0837 104 D 4.3576 8.0425 118.7896 57.4180 41.0891 178.1610 105 D 4.4606 7.9432 117.8643 57.4437 41.2522 178.2047 106 L 4.0049 8.1367 119.6417 57.9358 41.5832 179.5507 107 L 4.0332 8.4230 119.2758 57.4747 41.3032 179.0244 108 S 4.4594 7.7245 112.0071 59.6274 63.2953 174.5981 109 T 4.4734 7.7268 111.5990 61.2738 69.4034 174.2254 110 V 4.3829 7.4998 121.4185 61.2185 34.3958 174.6273 111 D 4.4808 8.6809 124.3887 54.4645 41.0913 175.8478 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 *6 T 8.27 4.31 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 7 R 8.33 4.34 0.00 1.90 1.83 0.00 3.17 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.25 0.00 8 E 7.85 4.75 0.00 1.94 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 2.26 2.26 0.00 9 R 8.58 3.89 0.00 1.96 1.92 0.00 3.30 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 10 I 8.22 3.74 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 1.42 0.68 0.93 0.00 0.00 11 L 7.88 3.98 0.00 1.76 1.79 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.81 4.23 0.00 3.31 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.27 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.07 0.00 1.74 1.76 0.93 0.71 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 15 I 8.08 3.77 1.89 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 1.47 0.75 0.89 0.00 0.00 16 T 7.93 3.88 4.54 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 1.28 0.00 0.00 17 L 7.94 4.00 0.00 1.96 1.75 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.22 3.97 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.07 3.58 2.01 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 1.55 0.66 0.85 0.00 0.00 20 L 8.02 3.90 0.00 1.78 1.69 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.92 3.89 0.00 1.73 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.37 1.56 7.81 22 E 7.90 3.92 0.00 1.91 1.81 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 1.52 1.98 0.00 23 L 8.02 4.31 0.00 1.79 1.70 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.54 3.86 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 25 K 7.70 4.12 0.00 1.93 1.82 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.53 7.81 26 R 6.67 4.39 0.00 2.05 1.94 0.00 2.76 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 27 P 0.00 4.57 0.00 1.89 1.65 0.00 3.72 0.00 0.00 2.11 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 *29 H 8.36 4.99 0.00 2.87 3.44 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.05 3.81 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 0.00 0.00 0.00 31 Y 8.17 4.32 0.00 3.32 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 32 E 7.28 3.73 0.00 1.94 1.84 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 1.75 1.47 0.00 33 L 7.43 4.04 0.00 1.69 1.74 0.83 1.23 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 34 Q 7.93 4.08 0.00 1.97 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 35 K 8.19 4.35 0.00 2.15 2.09 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.52 7.81 36 S 8.11 4.51 0.00 4.26 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 *38 F 7.93 5.53 0.00 3.16 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 39 E 8.32 3.93 0.00 2.12 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 2.18 2.22 0.00 40 T 8.07 4.18 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 1.25 0.00 0.00 41 T 8.07 4.27 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 1.05 0.00 0.00 42 G 8.96 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 0.00 0.00 0.00 43 Q 8.23 4.42 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 44 A 7.77 4.36 0.26 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 45 L 8.09 4.07 0.00 1.69 1.52 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.33 0.00 2.18 2.14 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 47 Q 8.51 4.07 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 48 G 9.04 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 49 S 8.08 4.09 0.00 3.89 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 50 I 7.61 3.48 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 -0.07 0.00 0.00 51 Y 7.47 4.26 0.00 3.26 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 52 I 7.63 3.76 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.87 0.94 0.00 0.00 53 L 7.59 3.95 0.00 1.58 1.76 0.68 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.64 4.00 0.00 1.62 1.26 0.03 0.56 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 55 K 8.12 4.19 0.00 1.99 2.06 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.52 7.81 56 T 7.65 3.93 4.39 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 1.19 0.00 0.00 *58 K 7.91 4.66 0.00 2.07 1.92 0.00 2.24 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.65 1.67 7.81 59 E 8.04 3.96 0.00 2.03 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 2.32 2.41 0.00 60 R 7.57 3.62 0.00 1.03 0.66 0.00 3.00 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.00 61 G 7.70 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 62 F 7.64 4.88 0.00 2.86 2.87 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 63 V 7.76 5.11 2.18 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 1.25 0.00 0.00 1.02 0.00 0.00 64 I 9.15 4.78 1.90 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 1.30 0.70 0.90 0.00 0.00 65 S 8.67 5.10 0.00 3.49 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.57 0.00 1.99 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 2.12 2.26 0.00 67 S 8.76 5.22 0.00 3.72 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.48 4.86 0.00 3.68 3.75 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 0.00 0.00 0.00 69 V 8.06 4.68 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 0.88 0.00 0.00 0.92 0.00 0.00 70 N 9.33 4.07 0.00 3.00 2.79 0.00 0.00 6.63 6.82 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 *72 K 8.90 4.15 0.00 1.79 1.94 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 73 G 8.58 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.36 4.47 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 75 Q 8.47 4.84 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 76 L 9.21 4.78 0.00 1.62 1.62 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.65 4.99 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 0.56 0.00 0.00 78 V 8.43 4.30 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 0.90 0.00 0.00 0.72 0.00 0.00 79 Y 8.47 5.16 0.00 2.92 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 80 H 9.04 4.96 0.00 3.16 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.51 4.46 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 1.42 0.91 0.92 0.00 0.00 82 T 8.65 4.44 4.29 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 1.29 0.00 0.00 83 D 8.76 4.38 0.00 2.74 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 84 A 8.10 4.21 1.45 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 85 G 8.27 3.43 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 0.00 0.00 0.00 86 K 8.03 4.01 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 87 K 7.94 4.07 0.00 1.77 2.07 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.54 7.81 88 F 8.32 4.20 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.72 0.00 1.85 1.77 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *91 D 7.95 4.60 0.00 2.75 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 92 H 7.87 4.52 0.00 2.82 3.09 0.00 5.59 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.26 4.68 0.00 3.98 3.90 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 94 Q 8.00 4.06 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.48 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 95 A 7.66 4.76 1.21 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 96 L 7.91 4.02 0.00 1.69 1.72 0.92 0.83 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 97 Q 8.01 3.95 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 98 L 7.87 3.90 0.00 1.78 1.79 0.91 0.94 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 99 A 8.09 3.98 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 0.00 100 R 8.09 3.82 0.00 2.01 2.04 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 101 K 7.98 3.95 0.00 2.04 1.84 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 102 I 7.95 3.75 2.00 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 1.52 0.81 0.91 0.00 0.00 103 I 7.98 3.70 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 1.52 0.61 0.91 0.00 0.00 104 D 8.04 4.36 0.00 2.82 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 0.00 105 D 7.94 4.46 0.00 2.82 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 0.00 106 L 8.14 4.00 0.00 1.86 1.71 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.42 4.03 0.00 1.86 1.73 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.72 4.46 0.00 4.05 3.98 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 0.00 0.00 0.00 0.00 109 T 7.73 4.47 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 1.31 0.00 0.00 110 V 7.50 4.38 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 0.78 0.00 0.00 0.93 0.00 0.00 111 D 8.68 4.48 0.00 2.67 2.51 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 0.00 * Residues marked with a * may have inaccurate shift predictions.