NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3829 8.3449 118.8275 55.4350 30.4140 174.4254 2 E 4.5165 7.8767 117.0561 54.4275 33.1707 174.1412 3 C 4.7455 9.4770 123.0950 55.6645 46.6402 173.2983 4 T 4.5031 8.6100 125.1119 61.7241 68.7287 173.4440 5 K 4.7183 8.3827 124.3886 54.7086 35.2420 175.8387 6 F 4.5891 8.2551 120.0301 57.2757 40.9547 174.0922 7 K 3.7757 8.3982 128.8899 56.6714 29.6675 175.8443 8 V 3.7486 7.1259 117.5484 63.4273 31.9126 175.5780 9 S 4.8285 9.6756 120.0781 58.0722 64.0335 173.9947 10 S 4.2257 7.2657 115.4304 56.1036 66.8995 174.2374 11 C 2.4500 7.2321 121.3670 61.7558 31.0921 175.4233 12 R 3.7141 7.4237 119.7703 59.5345 29.5381 178.1716 13 E 4.0874 7.5479 116.4905 59.3836 29.6105 178.3693 14 C 4.4914 7.9195 118.4678 59.9371 40.9672 175.6761 15 I 3.6115 7.9266 121.6110 64.4159 36.4823 177.7489 16 E 4.2105 7.9917 117.0382 57.9281 29.4768 178.4886 17 S 4.5105 8.2142 115.0575 57.9297 63.5133 174.0785 18 G 4.4302 6.5687 114.7731 44.0242 0.0000 171.8525 19 P 4.3035 0.0000 0.0000 64.9709 31.2067 177.5716 20 G 4.0517 7.8854 105.7272 45.3304 0.0000 173.6765 21 C 4.8462 7.8028 118.2914 56.8738 41.3223 173.1508 22 T 5.0255 9.1645 112.5207 59.7115 72.7648 172.2421 23 W 5.3595 8.9748 131.5900 55.7394 33.8389 173.0884 24 C 4.6974 8.3142 128.6487 55.6214 43.3257 172.8599 25 Q 4.4507 8.8392 124.6090 55.7563 28.8519 176.0294 26 K 3.9221 7.6015 122.2144 56.5381 32.7496 176.0393 27 L 4.0477 8.4050 125.8685 56.1898 41.7064 176.3228 28 N 4.2753 9.0262 117.2408 54.2042 36.2185 176.2242 29 F 4.3627 7.8732 121.9712 60.9853 39.6058 175.6511 30 T 4.0493 7.2219 118.2584 62.4295 69.0387 175.0860 31 G 3.8819 8.1402 115.1016 43.7046 0.0000 172.6084 32 P 4.1782 0.0000 0.0000 65.3753 31.1612 178.4905 33 G 4.1403 7.8059 104.3562 45.5738 0.0000 172.8454 34 D 4.8764 7.5839 118.3266 51.2501 44.6221 174.2714 35 P 4.6353 0.0000 0.0000 61.9045 32.8480 176.9015 36 D 4.4724 8.6203 118.9463 57.2120 40.6402 178.9243 37 S 4.4332 8.1376 114.1851 60.9483 62.6152 176.2415 38 I 3.7820 7.5610 122.9967 64.0877 36.9844 177.8926 39 R 3.9807 7.9811 118.5556 56.7163 29.3698 174.7146 40 C 5.3397 7.1862 119.6063 55.5534 44.2665 172.1701 41 D 4.5743 8.5132 125.4647 53.8735 45.4279 174.5491 42 T 4.5966 8.1928 108.9995 60.8925 70.0272 175.5129 43 R 3.8581 8.9655 123.1738 59.6582 29.9710 176.9774 44 P 4.2946 0.0000 0.0000 65.6294 30.8689 178.6713 45 Q 4.0072 7.8197 116.1152 59.0005 28.6455 178.7851 46 L 4.1119 7.9944 120.0427 57.7175 41.5916 179.5182 47 L 4.1780 8.0457 119.0065 58.1156 41.3191 179.3154 48 M 4.0982 7.8264 117.6572 58.3491 31.9604 178.0923 49 R 4.4292 7.4463 114.7288 56.0748 30.3607 177.2498 50 G 3.9530 8.1119 107.1954 45.4250 0.0000 172.8005 51 C 4.3298 8.0011 119.8389 55.3101 41.3211 173.4731 52 A 4.2323 8.3919 129.5448 51.6552 18.9514 177.6730 53 A 4.0002 8.8203 124.2403 55.5032 18.3630 179.1728 54 D 4.6835 8.0059 111.4128 54.3657 40.0370 176.1583 55 D 4.7919 8.4883 119.9110 54.3759 42.4183 175.5420 56 I 4.6982 7.3188 121.0771 60.1142 38.2598 175.2881 57 M 4.3041 9.3745 128.8366 54.5695 33.0880 176.4402 58 D 5.2398 8.3031 122.8779 52.1653 41.6307 172.2594 59 P 4.2965 0.0000 0.0000 63.2363 32.3831 176.0914 60 T 4.9752 8.1005 118.4011 61.3787 71.8296 174.0936 61 S 4.6128 9.1165 121.7528 59.0466 63.4725 173.6519 62 L 4.9982 9.1967 124.8505 53.2985 46.0550 174.6298 63 A 5.2345 8.7122 124.7585 50.2068 21.7964 175.1423 64 E 4.8572 9.4575 122.4782 54.6458 32.9122 175.5048 65 T 5.0023 8.5344 113.0663 59.9949 72.2850 173.0655 66 Q 4.3113 8.5962 122.3601 55.9320 32.4774 175.4986 67 E 3.6970 8.8300 128.3873 57.4734 30.4088 174.0978 *73 Q 4.4015 8.8935 121.6687 56.1318 30.2459 173.3015 74 K 3.9786 9.6312 118.9987 57.2378 30.8764 179.4910 75 Q 4.7649 8.9746 116.8823 57.0191 31.1979 176.7135 76 L 5.5477 8.0242 116.8016 52.3548 44.5273 176.3565 77 S 4.8118 8.2995 115.4212 56.4254 66.5104 172.2995 78 P 4.7792 0.0000 0.0000 62.8437 32.2672 175.6052 79 Q 4.4052 8.4236 115.7452 56.8982 29.9083 176.5349 80 K 4.6518 7.9657 119.5605 54.5119 35.9659 175.4201 81 V 4.7313 8.1402 124.8314 61.5234 34.8219 174.0260 82 T 4.5112 9.1621 124.0935 61.6095 71.3161 172.8958 83 L 5.1667 8.2796 125.5822 53.0542 44.8927 175.3812 84 Y 4.3906 9.1080 121.6393 56.3956 39.9840 174.7571 85 L 4.9222 8.5073 125.2543 52.9828 43.5024 176.1704 86 R 4.3485 8.9678 126.1833 54.4361 31.5288 174.1101 87 P 4.3684 0.0000 0.0000 64.5631 31.6719 176.8171 88 G 3.8715 9.0615 110.8811 45.2249 0.0000 172.6449 89 Q 4.4088 7.8029 120.5118 53.6341 29.7985 174.9595 90 A 4.0742 8.6102 128.6817 52.2098 19.0810 175.9788 91 A 4.7645 8.5196 124.2958 50.2011 21.1178 176.1051 92 A 4.8748 8.4293 124.8600 50.3219 21.9418 175.4031 93 F 4.9848 7.9041 114.3710 55.7089 40.6920 173.3829 94 N 4.7818 8.7039 120.1047 51.8989 40.0871 174.4551 95 V 4.7124 8.1917 121.3549 61.4929 34.2740 174.5152 96 T 4.7210 9.1721 124.6421 61.7683 71.0163 173.0033 97 F 5.4810 8.8860 128.3111 56.3092 41.8494 174.5550 98 R 4.4126 8.2545 122.1786 54.6029 33.0649 175.3602 99 R 4.3930 8.0630 121.0548 55.2768 30.4428 174.6427 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 Q 8.34 4.38 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 2 E 7.88 4.52 0.00 2.09 1.83 0.00 0.00 0.00 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 2.37 0.00 3 C 9.48 4.75 0.00 2.90 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 4 T 8.61 4.50 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 1.26 0.00 0.00 5 K 8.38 4.72 0.00 1.91 1.85 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.36 1.42 7.81 6 F 8.26 4.59 0.00 3.08 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 7 K 8.40 3.78 0.00 1.36 1.58 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.54 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.87 0.21 7.81 8 V 7.13 3.75 2.26 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 0.87 0.00 0.00 1.02 0.00 0.00 9 S 9.68 4.83 0.00 3.98 3.94 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 0.00 0.00 0.00 10 S 7.27 4.23 0.00 3.75 3.82 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 0.00 0.00 0.00 0.00 11 C 7.23 2.45 0.00 1.78 2.41 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 12 R 7.42 3.71 0.00 1.82 1.76 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 13 E 7.55 4.09 0.00 2.08 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 2.30 2.23 0.00 14 C 7.92 4.49 0.00 3.32 3.28 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 15 I 7.93 3.61 1.83 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 1.72 0.83 0.91 0.00 0.00 16 E 7.99 4.21 0.00 2.08 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 0.00 2.33 2.64 0.00 17 S 8.21 4.51 0.00 4.07 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 18 G 6.57 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 0.00 0.00 0.00 0.00 19 P 0.00 4.30 0.00 2.21 2.30 0.00 3.78 0.00 0.00 3.68 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 20 G 7.89 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 7.80 4.85 0.00 3.03 3.11 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 22 T 9.16 5.03 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 1.28 0.00 0.00 23 W 8.97 5.36 0.00 3.42 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 24 C 8.31 4.70 0.00 2.30 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 0.00 0.00 0.00 25 Q 8.84 4.45 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 26 K 7.60 3.92 0.00 1.65 1.58 0.00 1.74 0.00 0.00 2.01 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.48 7.81 27 L 8.40 4.05 0.00 1.70 1.61 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 N 9.03 4.28 0.00 2.93 2.88 0.00 0.00 6.69 8.13 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 29 F 7.87 4.36 0.00 3.03 3.01 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 30 T 7.22 4.05 4.22 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 1.18 0.00 0.00 31 G 8.14 3.88 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 0.00 0.00 0.00 32 P 0.00 4.18 0.00 2.02 2.12 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 33 G 7.81 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 34 D 7.58 4.88 0.00 2.50 2.45 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 35 P 0.00 4.64 0.00 2.17 2.12 0.00 3.66 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 2.01 1.93 0.00 36 D 8.62 4.47 0.00 2.82 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 37 S 8.14 4.43 0.00 4.07 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 38 I 7.56 3.78 1.80 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 1.72 0.72 0.82 0.00 0.00 39 R 7.98 3.98 0.00 0.67 0.66 0.00 2.84 0.00 0.00 2.56 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 40 C 7.19 5.34 0.00 3.44 3.31 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 0.00 41 D 8.51 4.57 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.19 4.60 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 1.24 0.00 0.00 43 R 8.97 3.86 0.00 1.90 2.00 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 44 P 0.00 4.29 0.00 2.21 2.09 0.00 3.61 0.00 0.00 3.78 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 45 Q 7.82 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 46 L 7.99 4.11 0.00 1.78 1.57 0.92 0.65 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 47 L 8.05 4.18 0.00 1.86 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.83 4.10 0.00 2.02 2.36 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.81 0.00 49 R 7.45 4.43 0.00 2.21 1.95 0.00 3.17 0.00 0.00 3.36 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 50 G 8.11 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 51 C 8.00 4.33 0.00 2.58 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.23 1.30 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 53 A 8.82 4.00 1.31 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 0.00 0.00 0.00 54 D 8.01 4.68 0.00 2.77 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 55 D 8.49 4.79 0.00 2.62 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 56 I 7.32 4.70 1.97 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 1.11 0.64 0.90 0.00 0.00 57 M 9.37 4.30 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.85 0.00 58 D 8.30 5.24 0.00 2.64 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 59 P 0.00 4.30 0.00 2.08 2.00 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 60 T 8.10 4.98 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 1.29 0.00 0.00 61 S 9.12 4.61 0.00 3.79 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 62 L 9.20 5.00 0.00 1.71 1.56 0.86 0.88 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 63 A 8.71 5.23 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 64 E 9.46 4.86 0.00 1.93 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 2.26 2.38 0.00 65 T 8.53 5.00 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 1.19 0.00 0.00 66 Q 8.60 4.31 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 5.82 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 67 E 8.83 3.70 0.00 2.18 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 0.00 2.22 2.28 0.00 *73 Q 8.89 4.40 0.00 2.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.14 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 74 K 9.63 3.98 0.00 1.77 1.48 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.03 7.81 75 Q 8.97 4.76 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.39 1.73 0.00 76 L 8.02 5.55 0.00 1.56 1.63 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.30 4.81 0.00 3.86 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 78 P 0.00 4.78 0.00 2.33 2.15 0.00 3.88 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 2.01 2.02 0.00 79 Q 8.42 4.41 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 80 K 7.97 4.65 0.00 1.76 1.54 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.33 7.81 81 V 8.14 4.73 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.52 0.00 0.00 82 T 9.16 4.51 4.22 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 0.87 0.00 0.00 83 L 8.28 5.17 0.00 1.40 1.54 1.03 0.79 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 84 Y 9.11 4.39 0.00 2.96 2.91 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 0.00 0.00 0.00 85 L 8.51 4.92 0.00 1.52 1.63 0.93 1.00 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 86 R 8.97 4.35 0.00 1.90 1.82 0.00 3.34 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 87 P 0.00 4.37 0.00 2.09 2.02 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 88 G 9.06 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 0.00 0.00 0.00 89 Q 7.80 4.41 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 90 A 8.61 4.07 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 91 A 8.52 4.76 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 92 A 8.43 4.87 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 93 F 7.90 4.98 0.00 3.12 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 94 N 8.70 4.78 0.00 2.77 2.79 0.00 0.00 6.70 7.68 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 95 V 8.19 4.71 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 0.96 0.00 0.00 1.14 0.00 0.00 96 T 9.17 4.72 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 1.24 0.00 0.00 97 F 8.89 5.48 0.00 3.02 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 98 R 8.25 4.41 0.00 1.76 1.86 0.00 2.71 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 99 R 8.06 4.39 0.00 1.41 1.67 0.00 3.16 0.00 0.00 4.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 * Residues marked with a * may have inaccurate shift predictions.