NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5887 8.1476 120.6156 54.9701 33.5638 174.2762 2 V 3.7824 8.2771 125.9926 61.9396 32.7158 173.5788 3 K 4.8851 9.1133 121.1950 55.4772 37.4107 177.1337 4 I 4.8328 8.0986 119.7238 59.8165 38.6265 174.7532 5 R 5.1489 8.6243 123.3506 54.2461 33.0496 175.0632 6 L 5.3156 8.5496 117.1103 53.5236 44.6981 175.9728 7 A 4.5975 8.4622 121.8016 50.0703 22.2227 175.2115 8 R 3.5567 8.0760 123.7548 55.5499 30.5134 175.2437 9 F 5.0165 8.6758 129.4497 57.2367 42.4296 174.5962 10 G 3.9546 9.9130 110.8567 47.2812 0.0000 171.9397 11 S 4.3533 9.3021 118.0787 56.8441 65.6995 172.6359 12 K 3.8733 8.3532 121.6203 59.4561 31.0909 176.5101 13 H 4.4301 8.9742 123.6535 55.5769 27.3809 175.1503 14 N 4.9759 7.8965 118.4890 51.3957 38.1893 171.9403 15 P 4.5051 0.0000 0.0000 63.2302 32.8714 177.3039 16 H 4.7971 8.7400 121.8877 54.0822 31.7138 173.1755 17 Y 4.7872 8.8115 121.7321 57.3036 40.3894 175.0192 18 R 4.9046 8.8689 120.3303 54.6800 33.2085 174.7170 19 I 4.4418 8.7756 127.9954 61.6758 38.7159 175.6939 20 V 4.3605 7.7844 121.7479 61.4516 34.5958 170.9240 21 V 4.7656 7.3666 122.8657 61.8157 32.7716 174.7245 22 T 4.1127 7.9046 117.3186 60.9813 70.6229 171.3545 23 D 4.5031 8.5627 127.5974 54.7721 41.6741 177.2454 24 A 4.0290 8.2111 127.4818 54.7354 18.5281 178.7269 25 R 4.1601 8.4648 114.0645 57.6253 30.5302 177.3119 26 R 4.0859 7.7522 117.1749 55.6802 30.5140 176.2166 27 K 4.2715 8.2058 119.3842 56.0200 32.9813 177.6966 28 R 3.9592 8.6260 119.4732 59.6313 30.4046 177.3360 29 D 4.8633 7.8200 115.7879 53.2642 41.1409 175.8668 30 G 4.1392 7.4340 113.1763 45.5163 0.0000 175.7006 31 K 4.1174 8.4197 120.0091 55.3123 30.7878 174.6505 32 Y 4.4467 7.7118 122.0348 55.7590 39.1087 177.2498 33 I 4.0713 8.0574 115.0833 60.4176 37.6392 174.1308 34 E 5.5799 7.6780 129.7625 55.6997 33.0324 176.4463 35 K 4.3280 8.4497 128.6532 56.6614 32.9952 176.8700 36 I 4.4865 7.3549 116.0252 57.8062 37.9671 174.7871 37 G 4.3007 7.4201 109.8152 45.9826 0.0000 171.2673 38 Y 5.4071 7.4876 116.7518 55.8678 41.9916 173.4420 39 Y 5.3839 9.0878 121.6079 56.4794 42.4536 173.4894 40 D 4.6769 10.2256 128.1379 52.1508 41.2075 174.8259 41 P 4.0600 0.0000 0.0000 65.4805 31.4321 178.5071 42 R 3.8729 7.9969 113.5862 56.9450 30.5158 176.7256 43 K 3.8345 7.7617 116.2693 57.6884 29.3710 174.6793 44 T 4.3343 8.9953 107.3767 62.2287 70.3566 175.8328 45 T 4.8089 7.5001 112.1263 59.2949 71.7338 172.7587 46 P 4.6381 0.0000 0.0000 64.6437 31.7630 175.7526 47 D 4.9437 8.0118 117.4911 52.8912 40.8935 174.8711 48 W 5.0540 7.7781 115.2280 56.1543 30.2568 177.0196 49 L 4.6560 7.1215 118.9904 54.5557 44.3851 173.6129 50 K 4.3257 8.0919 126.4924 55.2659 35.6648 176.1643 51 V 3.8340 7.8866 121.1741 63.6416 35.5162 170.8712 52 D 4.4564 8.0522 128.8759 53.7084 40.9168 172.5541 53 V 4.4138 7.6543 130.2143 58.8531 30.3558 178.7962 54 E 3.4982 9.1793 125.0998 59.2685 28.8380 175.7992 55 R 4.1583 12.0000 116.6618 56.7446 29.9630 178.5287 56 A 4.1966 7.8968 120.2998 56.0577 18.6901 180.0185 57 R 3.8319 8.0206 114.4085 59.7042 30.2549 177.9810 58 Y 4.0285 9.6440 119.5381 59.9863 38.5948 177.7314 59 W 4.1403 8.1277 118.9447 60.2030 29.1497 178.1924 60 L 3.7545 7.9334 117.1756 58.0694 41.1660 179.1918 61 S 4.4018 7.8813 110.9906 59.2648 63.1088 174.8775 62 V 4.4238 9.3585 114.2237 59.9104 35.3025 177.0070 63 G 4.0848 9.6626 112.3779 45.8283 0.0000 175.5113 64 A 4.0608 7.8423 124.7807 53.6262 16.3929 177.3826 65 Q 4.5488 8.3080 124.6596 53.9905 29.9231 174.4317 66 P 4.6067 0.0000 0.0000 62.4592 32.0881 177.0080 67 T 3.9511 8.2104 118.6119 63.7926 69.8131 174.5738 68 D 4.3814 8.8538 125.9492 58.3545 40.5093 179.5951 69 T 3.7978 8.0146 109.1769 64.7904 68.5218 175.6402 70 A 3.9395 7.7540 122.7503 54.2580 19.0420 179.1087 71 R 3.9485 9.4569 117.4939 59.5366 29.8717 178.3375 72 R 3.8134 7.9087 117.5945 59.6441 30.2501 177.9616 73 L 3.9484 7.3221 117.8461 58.0299 41.6858 179.4249 74 L 3.8752 7.9339 118.6472 58.1670 41.4336 179.7974 75 R 4.3675 8.1777 118.4842 59.1743 29.8441 177.6808 76 Q 4.3949 7.9537 115.2304 56.6942 28.7224 175.7063 77 A 4.5050 7.1454 118.2281 51.0494 20.3520 176.3859 78 G 3.9988 8.7569 105.4151 47.3866 0.0000 175.9827 79 V 3.4858 7.8689 120.0322 64.8353 32.0702 176.5585 80 F 4.4409 7.8970 117.5158 59.0151 39.8183 173.3265 81 R 4.1148 7.7987 122.2642 56.3770 28.8837 174.8404 82 Q 4.4140 8.3588 121.5096 55.6202 29.5323 174.8466 83 E 3.7833 7.9869 120.4064 56.5264 29.8907 177.0064 *84 A 4.1104 7.6764 124.2169 52.3843 18.9361 176.8779 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 4.59 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 V 8.28 3.78 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 0.74 0.00 0.00 0.82 0.00 0.00 3 K 9.11 4.89 0.00 1.83 1.67 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.53 7.81 4 I 8.10 4.83 1.88 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 1.27 1.08 0.90 0.00 0.00 5 R 8.62 5.15 0.00 1.87 2.05 0.00 2.73 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 6 L 8.55 5.32 0.00 1.59 1.94 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.46 4.60 1.01 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 0.00 0.00 0.00 0.00 0.00 8 R 8.08 3.56 0.00 0.91 1.56 0.00 3.09 0.00 0.00 2.84 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 9 F 8.68 5.02 0.00 3.11 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 10 G 9.91 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 11 S 9.30 4.35 0.00 3.91 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 12 K 8.35 3.87 0.00 1.67 1.77 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.15 1.23 7.81 13 H 8.97 4.43 0.00 3.34 3.58 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.90 4.98 0.00 2.77 2.70 0.00 0.00 6.81 8.40 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 15 P 0.00 4.51 0.00 2.15 2.03 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 16 H 8.74 4.80 0.00 3.24 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.81 4.79 0.00 3.21 2.99 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 18 R 8.87 4.90 0.00 2.26 1.99 0.00 3.45 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.68 0.00 19 I 8.78 4.44 1.90 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 1.28 0.59 0.94 0.00 0.00 20 V 7.78 4.36 1.66 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 0.58 0.00 0.00 0.68 0.00 0.00 21 V 7.37 4.77 1.43 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 -0.22 0.00 0.00 -0.10 0.00 0.00 22 T 7.90 4.11 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 1.19 0.00 0.00 23 D 8.56 4.50 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.03 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 25 R 8.46 4.16 0.00 1.86 2.00 0.00 3.23 0.00 0.00 3.45 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 26 R 7.75 4.09 0.00 1.89 1.90 0.00 3.45 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 27 K 8.21 4.27 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 28 R 8.63 3.96 0.00 1.75 1.92 0.00 3.23 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 1.53 1.63 0.00 29 D 7.82 4.86 0.00 2.60 2.36 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 30 G 7.43 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 0.00 0.00 0.00 31 K 8.42 4.12 0.00 1.70 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.34 7.81 32 Y 7.71 4.45 0.00 3.22 3.08 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 0.00 0.00 0.00 33 I 8.06 4.07 1.93 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.22 0.93 0.00 0.00 34 E 7.68 5.58 0.00 2.32 2.14 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 2.27 2.15 0.00 35 K 8.45 4.33 0.00 1.85 1.80 0.00 1.92 0.00 0.00 1.85 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 36 I 7.35 4.49 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 1.09 0.00 0.00 37 G 7.42 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.49 5.41 0.00 3.28 3.08 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 0.00 0.00 0.00 39 Y 9.09 5.38 0.00 2.93 2.92 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 0.00 0.00 0.00 40 D 10.23 4.68 0.00 2.97 3.08 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 0.00 0.00 0.00 41 P 0.00 4.06 0.00 1.94 1.85 0.00 3.78 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.68 0.00 42 R 8.00 3.87 0.00 1.76 1.94 0.00 3.33 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 43 K 7.76 3.83 0.00 1.21 0.74 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.38 1.08 7.81 44 T 9.00 4.33 4.28 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 1.22 0.00 0.00 45 T 7.50 4.81 4.36 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 1.30 0.00 0.00 46 P 0.00 4.64 0.00 2.29 2.32 0.00 3.80 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 2.08 2.03 0.00 47 D 8.01 4.94 0.00 2.74 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 0.00 48 W 7.78 5.05 0.00 3.97 3.39 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 49 L 7.12 4.66 0.00 1.13 0.64 0.73 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.09 4.33 0.00 0.90 0.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.60 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.09 1.18 7.81 51 V 7.89 3.83 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 0.75 0.00 0.00 0.77 0.00 0.00 52 D 8.05 4.46 0.00 2.87 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 7.65 4.41 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 0.65 0.00 0.00 0.89 0.00 0.00 54 E 9.18 3.50 0.00 2.00 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 0.00 2.19 2.29 0.00 55 R 12.00 4.16 0.00 2.49 1.96 0.00 3.38 0.00 0.00 3.50 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 56 A 7.90 4.20 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 57 R 8.02 3.83 0.00 1.76 1.98 0.00 3.16 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 58 Y 9.64 4.03 0.00 2.95 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 59 W 8.13 4.14 0.00 3.65 3.26 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 60 L 7.93 3.75 0.00 1.75 1.81 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.88 4.40 0.00 3.88 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 62 V 9.36 4.42 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 0.45 0.00 0.00 0.39 0.00 0.00 63 G 9.66 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.84 4.06 1.47 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 0.00 0.00 65 Q 8.31 4.55 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 66 P 0.00 4.61 0.00 2.25 2.15 0.00 3.83 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 2.05 2.17 0.00 67 T 8.21 3.95 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 1.23 0.00 0.00 68 D 8.85 4.38 0.00 2.67 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 69 T 8.01 3.80 4.23 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 1.20 0.00 0.00 70 A 7.75 3.94 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 71 R 9.46 3.95 0.00 2.04 1.94 0.00 3.01 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 72 R 7.91 3.81 0.00 1.80 2.12 0.00 3.32 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 73 L 7.32 3.95 0.00 1.57 1.50 0.83 -0.14 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 74 L 7.93 3.88 0.00 2.10 1.65 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.18 4.37 0.00 2.07 2.22 0.00 3.02 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 76 Q 7.95 4.39 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 77 A 7.15 4.51 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 78 G 8.76 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 0.00 0.00 0.00 79 V 7.87 3.49 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 0.00 0.00 0.33 0.00 0.00 0.71 0.00 0.00 80 F 7.90 4.44 0.00 3.19 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 81 R 7.80 4.11 0.00 1.81 1.93 0.00 3.22 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 82 Q 8.36 4.41 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 83 E 7.99 3.78 0.00 1.98 2.03 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 2.34 2.31 0.00 *84 A 7.68 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.