NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6197 8.1476 118.3361 54.6335 33.8147 174.1514 2 V 3.5633 8.2877 119.6432 61.8580 32.3354 174.0199 3 K 4.9346 9.8112 126.1010 54.4950 36.3706 176.2525 4 I 4.8668 7.9545 120.7686 59.9774 40.2953 174.5244 5 R 4.5487 9.2947 126.1890 55.9276 33.0697 173.6891 6 L 5.0043 8.6076 118.0000 54.1045 43.8605 177.1320 7 A 4.4515 8.2277 120.1611 49.4884 20.2145 175.1948 8 R 3.6194 8.0831 120.4265 56.7476 30.8183 175.5626 9 F 4.2522 7.8942 122.0421 57.1734 44.9530 174.3131 10 G 3.9901 8.8674 113.0436 46.6490 0.0000 172.5039 11 S 4.7595 8.3123 117.0883 58.6348 62.8540 174.0044 12 K 4.4371 8.3869 128.2001 57.0154 33.8742 175.6961 13 H 4.1934 9.0323 120.0763 56.7317 26.8468 175.4170 14 N 4.9803 7.6072 115.8492 50.8723 38.8051 171.6137 15 P 4.2749 0.0000 0.0000 63.1468 31.5958 176.3452 16 H 5.5613 7.3188 118.2688 56.3710 30.1675 173.7547 17 Y 4.4092 7.9260 119.0440 57.9522 39.8737 175.8114 18 R 4.9503 8.4300 122.8101 54.2055 31.8589 174.1759 19 I 4.1252 7.8784 125.4429 61.7595 38.4532 175.3523 20 V 4.3859 9.1042 124.4479 60.8241 35.6243 172.8412 21 V 4.4403 8.5469 120.6918 60.3566 33.6009 174.4955 22 T 4.9578 8.2379 119.2047 60.3402 71.9383 171.7416 23 D 4.6913 8.5663 122.0144 53.1269 42.0335 176.3263 24 A 3.9210 8.1054 128.7237 55.6585 18.3710 179.1801 25 R 4.0321 8.6672 113.4783 58.5778 30.3417 177.3479 26 R 4.2428 8.3122 118.4045 54.7315 30.8036 176.5816 27 K 3.9145 8.5609 121.4927 56.8027 32.4599 175.5928 28 R 3.7411 7.9648 117.8860 60.4709 30.3171 177.0664 29 D 4.4145 7.8536 115.9675 54.7133 41.0895 178.5127 30 G 3.8480 7.4234 109.9476 45.0712 0.0000 172.9698 31 K 4.0910 8.4723 121.5983 57.3605 33.2135 176.2033 32 Y 4.5941 7.6559 113.0541 56.2634 38.8396 172.7425 33 I 3.6703 8.2450 123.7448 64.5983 36.6478 174.9216 34 E 4.9129 8.5306 120.9124 54.5316 33.7387 174.0549 35 K 4.5682 8.8560 126.3031 55.4621 33.8809 176.2070 36 I 4.6782 8.7101 115.9495 59.4454 39.7599 174.2244 37 G 4.9732 7.8196 108.4439 45.0653 0.0000 171.5719 38 Y 5.0949 7.1729 118.2015 55.6102 41.9702 173.4130 39 Y 5.3112 9.2890 118.3385 56.9906 43.0715 172.9500 40 D 4.7508 9.0683 126.0949 51.2180 43.1847 174.0556 41 P 4.4866 0.0000 0.0000 63.2467 31.1969 177.2293 42 R 4.2765 7.8037 117.7247 55.3226 32.2667 175.9864 43 K 4.0299 8.2870 117.3713 57.7470 29.7026 176.2212 44 T 4.4584 8.5224 103.4049 61.7863 69.0692 174.3670 45 T 4.2037 8.0678 112.5136 61.7837 70.8075 171.9834 46 P 4.6021 0.0000 0.0000 64.4900 31.7101 176.0916 47 D 5.0486 8.6835 119.6539 53.3925 41.7094 177.8329 48 W 4.4469 8.7040 118.8951 59.2839 29.1377 175.0929 49 L 4.4939 6.7062 121.7288 54.0653 43.7728 174.3233 50 K 4.1423 7.0284 128.4782 54.4584 34.1405 174.8660 51 V 4.2589 7.9661 126.8050 60.6477 33.6525 176.3044 52 D 4.6078 8.8291 129.6647 52.7775 38.0736 176.6233 53 V 3.5092 7.5322 116.6157 64.9634 32.4700 176.6148 54 E 3.6835 8.5648 115.8191 59.8421 28.9318 179.1571 55 R 3.9186 8.3025 117.5960 60.0419 30.5803 178.7252 56 A 4.1174 7.5492 118.4525 55.9069 18.4138 179.4434 57 R 3.8850 8.6395 116.9507 59.7044 30.0746 178.0172 58 Y 3.8208 7.9574 118.5788 60.5996 38.6468 178.1359 59 W 4.8060 8.0935 120.7987 58.7026 30.0967 176.9728 60 L 4.5675 8.3224 119.9148 56.3589 42.3383 178.7413 61 S 3.7096 8.0677 113.2133 60.6035 62.9220 175.8531 62 V 4.0401 7.4828 112.6126 60.1917 31.5069 171.8928 63 G 3.7652 9.2319 118.0606 45.7431 0.0000 175.1141 64 A 5.3588 8.3308 126.7492 51.0863 19.0198 176.5161 65 Q 3.8858 8.1002 119.0332 56.1037 29.7193 177.8041 66 P 4.9067 0.0000 0.0000 60.7454 33.9758 175.3973 67 T 4.0123 8.0154 117.4708 64.1043 68.5145 175.5928 68 D 4.4172 8.5791 122.5666 56.4868 40.8826 178.4871 69 T 3.9638 7.6212 113.2925 64.2963 67.7810 175.5912 70 A 3.8594 7.9779 120.8068 55.4271 18.5313 178.9024 71 R 4.1154 8.2064 113.7577 59.8042 29.2140 178.2811 72 R 3.8317 7.2946 119.6392 59.5213 29.7828 178.1732 73 L 3.9115 7.5206 116.8752 57.5866 41.5956 179.1997 74 L 4.1169 8.3822 119.2803 57.0215 42.1612 178.7287 75 R 4.4223 8.1428 117.8791 59.3621 31.4367 176.6662 76 Q 4.4928 8.1707 119.3472 53.8499 26.5570 174.9991 77 A 5.0013 8.2449 125.6591 51.6763 21.6401 176.8389 78 G 3.9865 7.8945 105.3886 47.9837 0.0000 175.3844 79 V 3.6118 6.9145 118.6224 64.0125 32.1886 176.7079 80 F 4.2558 7.8220 123.5922 59.3188 39.6117 175.9954 81 R 4.0988 7.7686 121.8891 56.3367 30.4476 175.2247 82 Q 4.3518 9.0510 122.0289 57.2074 30.0927 175.7513 83 E 4.2754 7.9875 123.6425 55.6643 27.4141 174.5829 *84 A 4.1104 7.5220 124.7491 52.4924 18.9361 176.2482 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 M 8.15 4.62 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.29 3.56 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 0.87 0.00 0.00 0.84 0.00 0.00 3 K 9.81 4.93 0.00 1.67 1.73 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 4 I 7.95 4.87 1.87 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 1.29 0.92 0.92 0.00 0.00 5 R 9.29 4.55 0.00 1.76 1.95 0.00 2.74 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 6 L 8.61 5.00 0.00 1.62 1.99 0.86 0.18 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 7 A 8.23 4.45 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 8 R 8.08 3.62 0.00 1.50 1.62 0.00 2.88 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 0.00 9 F 7.89 4.25 0.00 3.09 2.66 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 10 G 8.87 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 11 S 8.31 4.76 0.00 3.85 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 4.44 0.00 1.66 1.55 0.00 1.62 0.00 0.00 0.94 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 1.24 7.81 13 H 9.03 4.19 0.00 3.35 3.33 0.00 5.71 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 14 N 7.61 4.98 0.00 2.90 2.65 0.00 0.00 7.20 7.59 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 15 P 0.00 4.27 0.00 2.18 2.17 0.00 3.86 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 16 H 7.32 5.56 0.00 3.18 3.31 0.00 6.09 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.93 4.41 0.00 3.29 3.07 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 18 R 8.43 4.95 0.00 2.06 2.29 0.00 3.35 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 19 I 7.88 4.13 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.87 0.00 0.00 20 V 9.10 4.39 1.79 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 0.57 0.00 0.00 0.15 0.00 0.00 21 V 8.55 4.44 1.72 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 0.42 0.00 0.00 22 T 8.24 4.96 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 1.22 0.00 0.00 23 D 8.57 4.69 0.00 2.71 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 24 A 8.11 3.92 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 25 R 8.67 4.03 0.00 1.80 2.03 0.00 3.17 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 26 R 8.31 4.24 0.00 1.89 1.87 0.00 3.20 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 27 K 8.56 3.91 0.00 1.85 1.85 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 28 R 7.96 3.74 0.00 1.85 1.83 0.00 3.18 0.00 0.00 3.35 7.80 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 D 7.85 4.41 0.00 2.64 2.59 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 30 G 7.42 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 31 K 8.47 4.09 0.00 1.67 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.23 7.81 32 Y 7.66 4.59 0.00 2.91 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 33 I 8.25 3.67 1.56 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 0.93 0.00 0.00 34 E 8.53 4.91 0.00 2.23 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 2.35 2.40 0.00 35 K 8.86 4.57 0.00 1.87 1.79 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.58 7.81 36 I 8.71 4.68 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.99 0.00 0.00 37 G 7.82 4.97 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 38 Y 7.17 5.09 0.00 3.15 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 39 Y 9.29 5.31 0.00 3.03 3.15 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 40 D 9.07 4.75 0.00 2.69 2.69 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 41 P 0.00 4.49 0.00 2.24 2.22 0.00 3.17 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 42 R 7.80 4.28 0.00 1.84 1.94 0.00 3.30 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 43 K 8.29 4.03 0.00 1.51 0.90 0.00 1.31 0.00 0.00 1.31 0.00 0.00 2.55 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.04 7.81 44 T 8.52 4.46 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 1.20 0.00 0.00 45 T 8.07 4.20 4.33 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 1.41 0.00 0.00 46 P 0.00 4.60 0.00 2.17 2.21 0.00 3.75 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 2.10 2.21 0.00 47 D 8.68 5.05 0.00 2.76 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 48 W 8.70 4.45 0.00 3.74 3.41 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 49 L 6.71 4.49 0.00 1.82 0.64 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.03 4.14 0.00 1.14 0.74 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.32 7.81 51 V 7.97 4.26 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 0.76 0.00 0.00 0.77 0.00 0.00 52 D 8.83 4.61 0.00 2.80 2.66 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 53 V 7.53 3.51 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 0.83 0.00 0.00 0.94 0.00 0.00 54 E 8.56 3.68 0.00 2.19 1.88 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 2.39 2.36 0.00 55 R 8.30 3.92 0.00 1.91 2.21 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 56 A 7.55 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 57 R 8.64 3.89 0.00 1.86 1.90 0.00 3.26 0.00 0.00 2.96 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 58 Y 7.96 3.82 0.00 2.84 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 59 W 8.09 4.81 0.00 3.39 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 60 L 8.32 4.57 0.00 1.78 1.69 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.07 3.71 0.00 3.74 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 62 V 7.48 4.04 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 0.35 0.00 0.00 1.01 0.00 0.00 63 G 9.23 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 64 A 8.33 5.36 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 3.89 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.53 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 66 P 0.00 4.91 0.00 1.96 2.15 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.33 0.00 67 T 8.02 4.01 4.31 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 1.19 0.00 0.00 68 D 8.58 4.42 0.00 2.66 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 69 T 7.62 3.96 4.17 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 1.15 0.00 0.00 70 A 7.98 3.86 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 71 R 8.21 4.12 0.00 2.16 2.32 0.00 2.89 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 72 R 7.29 3.83 0.00 2.00 2.16 0.00 3.11 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 73 L 7.52 3.91 0.00 1.61 1.48 -0.40 0.77 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 74 L 8.38 4.12 0.00 1.92 1.64 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.14 4.42 0.00 2.02 2.13 0.00 3.19 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 76 Q 8.17 4.49 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.38 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 77 A 8.24 5.00 1.28 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 0.00 0.00 0.00 78 G 7.89 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 79 V 6.91 3.61 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 0.47 0.00 0.00 0.85 0.00 0.00 80 F 7.82 4.26 0.00 3.07 3.12 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 81 R 7.77 4.10 0.00 1.83 1.86 0.00 3.23 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.55 0.00 82 Q 9.05 4.35 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.35 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 83 E 7.99 4.28 0.00 2.07 2.37 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 2.16 2.20 0.00 *84 A 7.52 4.11 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.