NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6111 8.1476 118.3349 55.5350 33.8505 172.9786 2 V 4.3503 8.2938 117.2115 60.5350 33.5501 174.6454 3 K 5.2170 9.9873 126.7216 56.9009 36.1177 176.1023 4 I 4.3019 8.0203 117.8637 62.2876 41.1444 173.5206 5 R 4.6511 8.4057 125.2241 55.8963 33.0277 172.6888 6 L 4.7929 8.6519 119.3309 54.1606 42.6957 176.9656 7 A 4.6842 8.5591 127.0598 49.8706 19.4163 174.0177 8 R 3.8892 8.7634 119.9733 56.9560 30.4171 175.2256 9 F 4.9771 9.1341 128.9970 58.9091 42.1253 175.6443 10 G 3.9580 10.6154 117.7473 46.8999 0.0000 176.2104 11 S 4.4471 7.5350 123.6248 57.8694 67.5367 173.6398 12 K 4.0357 8.6960 122.8944 58.4324 32.2798 176.8045 13 H 4.1666 8.8981 120.8875 56.6299 27.2447 174.4841 14 N 5.0687 7.5302 115.5750 51.7910 38.7675 172.4729 15 P 4.4172 0.0000 0.0000 63.5893 32.8524 178.5057 16 H 4.3706 8.0102 120.3614 55.5776 32.0085 172.9047 17 Y 4.5306 8.3124 123.1642 57.5990 40.5054 175.1494 18 R 4.6613 8.4205 120.0174 55.4977 31.6762 172.6491 19 I 3.9833 8.2265 125.8182 59.6180 37.3673 174.2923 20 V 4.6696 9.2623 126.8956 59.4655 35.2547 174.9045 21 V 4.1873 8.2077 123.7785 61.4049 32.8620 175.1046 22 T 4.6891 7.7066 119.8414 60.9491 71.2184 171.0662 23 D 4.8794 8.6478 120.8495 53.7477 41.8394 177.5371 24 A 4.0024 9.4680 129.1807 54.8430 18.3179 178.9599 25 R 4.0541 10.4444 113.8340 58.5652 30.6092 177.1265 26 R 4.0007 7.1979 115.4071 56.0097 30.4993 175.3741 27 K 4.4555 8.5675 117.0264 56.3079 34.1006 178.5318 28 R 3.7712 7.8316 123.3744 59.3668 30.9829 176.4778 29 D 5.1870 7.9952 114.1166 54.0064 42.1021 178.7709 30 G 4.1201 9.2609 111.9698 44.9613 0.0000 175.5242 31 K 4.2550 8.6851 127.5786 54.4264 33.2530 174.9693 32 Y 5.1018 7.5379 123.2228 54.6062 40.4181 175.5423 33 I 4.1198 8.1802 121.5707 64.1330 38.1577 176.5806 34 E 4.7430 7.7632 120.0261 54.9675 33.0920 174.1050 35 K 4.2725 8.7183 128.8208 54.7356 33.2112 176.6160 36 I 4.5975 8.7251 124.2447 59.8233 37.0786 174.2054 37 G 4.2420 7.4382 106.9962 44.4838 0.0000 171.8947 38 Y 5.1803 7.9795 117.6854 55.6414 41.9417 173.6897 39 Y 5.3159 8.7754 120.6329 56.7604 42.4806 173.4165 40 D 4.7953 9.4418 128.5645 51.7638 41.2784 175.0837 41 P 4.2035 0.0000 0.0000 63.5461 31.1192 177.2341 42 R 4.2731 8.7296 117.8225 55.2539 31.1626 176.1744 43 K 4.0826 7.9947 117.6926 57.4501 30.1648 175.8901 44 T 4.1538 7.3295 104.2934 61.8462 68.9369 173.9863 45 T 4.6500 8.1311 116.0260 60.7226 70.5155 172.5684 46 P 4.6113 0.0000 0.0000 64.7910 31.8399 175.7361 47 D 4.9254 7.8972 117.6966 53.1545 41.0865 175.5043 48 W 5.0962 7.1926 112.9939 55.4954 30.3213 179.0529 49 L 4.6432 6.9426 120.8734 54.0932 41.0382 175.1931 50 K 3.8382 7.6250 119.4441 56.4494 33.3441 175.5689 51 V 4.5038 7.8372 125.1438 60.9632 34.9129 174.7146 52 D 4.6948 7.8710 126.2364 53.8710 39.7209 178.0466 53 V 3.5022 7.2221 115.9177 64.3426 32.3604 178.0874 54 E 4.0258 7.9804 120.3790 58.8776 29.0625 179.1288 55 R 3.8513 7.9741 116.7924 59.8125 30.4871 178.6628 56 A 4.0900 8.0664 119.5654 55.9708 18.3061 179.0739 57 R 3.7138 7.9539 115.1775 60.2813 29.9814 178.1484 58 Y 4.3020 7.4747 118.7593 60.8509 39.0166 178.2598 59 W 5.1124 8.6763 119.2747 60.4544 29.1811 178.6784 60 L 4.1436 8.3464 118.2603 57.1634 41.3813 178.7014 61 S 4.4350 8.2579 113.0248 58.9893 63.1116 174.7822 62 V 4.2260 7.2933 116.2985 61.0688 32.7105 174.0547 63 G 4.0852 8.9184 110.3131 45.7206 0.0000 173.3632 64 A 4.8114 8.7855 126.9772 52.9463 20.9049 176.6801 65 Q 3.5104 7.2801 116.7271 55.4663 26.4942 175.0842 66 P 4.8675 0.0000 0.0000 61.3184 33.2067 175.9453 67 T 3.9991 7.9098 117.4793 63.9307 69.1887 174.7101 68 D 4.3305 8.5305 121.9534 58.2412 41.0083 180.0051 69 T 4.2745 7.7587 110.8263 62.3822 67.2130 174.7210 70 A 4.5798 8.3995 124.5727 52.7939 21.1835 179.8534 71 R 4.1295 7.9467 112.3781 58.9191 29.4671 178.5821 72 R 3.7224 8.1340 119.3904 59.8035 29.6091 177.9250 73 L 3.8033 7.6893 117.5141 57.8517 41.8571 179.2628 74 L 3.9849 8.0991 118.8577 57.9901 41.4686 179.7958 75 R 3.7216 8.1976 119.2314 59.1639 29.9024 177.8684 76 Q 4.1711 7.8207 115.2593 57.1228 28.7082 176.1562 77 A 4.4514 7.3291 116.6944 51.0787 20.6643 175.5624 78 G 3.7152 8.6977 105.5770 46.0597 0.0000 173.8971 79 V 4.4970 8.8108 115.8086 62.8519 32.7925 175.2454 80 F 4.5608 8.2048 114.4591 58.9657 41.1119 175.0186 81 R 3.7667 7.6787 117.5267 56.0700 30.3511 175.4397 82 Q 4.4860 8.3705 120.6576 54.7394 29.8133 176.6167 83 E 3.6378 8.2382 115.0839 57.8468 28.7246 174.1299 *84 A 4.1104 7.9132 125.0667 52.3055 18.9361 176.1335 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 4.61 0.00 2.09 2.25 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 2.56 2.50 0.00 2 V 8.29 4.35 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 0.80 0.00 0.00 0.79 0.00 0.00 3 K 9.99 5.22 0.00 1.77 1.78 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.54 7.81 4 I 8.02 4.30 1.87 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 1.34 0.88 0.92 0.00 0.00 5 R 8.41 4.65 0.00 1.84 2.03 0.00 2.77 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 6 L 8.65 4.79 0.00 1.54 1.81 0.96 0.34 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 7 A 8.56 4.68 1.34 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 0.00 0.00 8 R 8.76 3.89 0.00 2.05 1.98 0.00 3.30 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 0.00 9 F 9.13 4.98 0.00 2.89 2.68 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 0.00 0.00 0.00 0.00 10 G 10.62 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 0.00 0.00 0.00 11 S 7.53 4.45 0.00 3.83 3.72 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 0.00 12 K 8.70 4.04 0.00 1.65 1.65 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 1.33 7.81 13 H 8.90 4.17 0.00 3.33 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.53 5.07 0.00 2.83 2.74 0.00 0.00 7.22 8.81 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 15 P 0.00 4.42 0.00 1.89 1.75 0.00 3.72 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 2.03 2.08 0.00 16 H 8.01 4.37 0.00 3.02 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.31 4.53 0.00 3.01 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 18 R 8.42 4.66 0.00 1.15 1.43 0.00 3.07 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 19 I 8.23 3.98 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.90 0.00 0.00 20 V 9.26 4.67 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 0.76 0.00 0.00 0.08 0.00 0.00 21 V 8.21 4.19 1.69 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 0.29 0.00 0.00 -0.09 0.00 0.00 22 T 7.71 4.69 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 1.23 0.00 0.00 23 D 8.65 4.88 0.00 2.75 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 9.47 4.00 1.34 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 0.00 0.00 25 R 10.44 4.05 0.00 1.90 2.00 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 26 R 7.20 4.00 0.00 1.80 1.97 0.00 3.36 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 27 K 8.57 4.46 0.00 1.91 1.94 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.37 7.81 28 R 7.83 3.77 0.00 1.87 2.02 0.00 3.34 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 29 D 8.00 5.19 0.00 2.70 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 30 G 9.26 4.12 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 0.00 0.00 0.00 31 K 8.69 4.26 0.00 1.65 1.68 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.28 7.81 32 Y 7.54 5.10 0.00 3.09 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 33 I 8.18 4.12 1.64 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 1.24 0.47 0.90 0.00 0.00 34 E 7.76 4.74 0.00 2.14 1.73 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 2.37 2.39 0.00 35 K 8.72 4.27 0.00 1.51 1.69 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.30 7.81 36 I 8.73 4.60 1.90 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 1.16 0.84 1.00 0.00 0.00 37 G 7.44 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 0.00 0.00 0.00 0.00 38 Y 7.98 5.18 0.00 3.02 3.03 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 0.00 0.00 0.00 39 Y 8.78 5.32 0.00 3.15 2.98 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 40 D 9.44 4.80 0.00 2.82 2.77 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 41 P 0.00 4.20 0.00 2.17 1.89 0.00 3.26 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.17 0.00 42 R 8.73 4.27 0.00 1.85 1.89 0.00 3.22 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 43 K 7.99 4.08 0.00 1.51 1.23 0.00 1.13 0.00 0.00 1.16 0.00 0.00 2.20 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 7.33 4.15 4.27 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 1.20 0.00 0.00 45 T 8.13 4.65 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 1.50 0.00 0.00 46 P 0.00 4.61 0.00 2.27 2.25 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 47 D 7.90 4.93 0.00 2.83 2.75 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 48 W 7.19 5.10 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 49 L 6.94 4.64 0.00 1.09 0.67 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.63 3.84 0.00 1.27 0.74 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.24 7.81 51 V 7.84 4.50 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 0.75 0.00 0.00 0.83 0.00 0.00 52 D 7.87 4.69 0.00 2.76 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 53 V 7.22 3.50 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 0.89 0.00 0.00 0.91 0.00 0.00 54 E 7.98 4.03 0.00 2.02 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 2.51 2.43 0.00 55 R 7.97 3.85 0.00 1.87 2.10 0.00 3.24 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.84 0.00 56 A 8.07 4.09 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 57 R 7.95 3.71 0.00 1.89 1.94 0.00 3.28 0.00 0.00 3.02 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 58 Y 7.47 4.30 0.00 2.89 2.84 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 59 W 8.68 5.11 0.00 3.63 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 8.35 4.14 0.00 1.87 1.64 0.60 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.26 4.44 0.00 3.85 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 62 V 7.29 4.23 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 0.40 0.00 0.00 1.22 0.00 0.00 63 G 8.92 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.79 4.81 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 65 Q 7.28 3.51 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 66 P 0.00 4.87 0.00 2.23 2.08 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 67 T 7.91 4.00 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 1.25 0.00 0.00 68 D 8.53 4.33 0.00 2.70 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 69 T 7.76 4.27 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 1.17 0.00 0.00 70 A 8.40 4.58 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 71 R 7.95 4.13 0.00 2.33 2.39 0.00 2.88 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 72 R 8.13 3.72 0.00 1.83 1.90 0.00 3.13 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 73 L 7.69 3.80 0.00 1.79 1.54 0.47 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.10 3.98 0.00 2.02 2.05 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.20 3.72 0.00 1.43 1.92 0.00 2.92 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.00 76 Q 7.82 4.17 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 77 A 7.33 4.45 1.22 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 0.00 0.00 0.00 78 G 8.70 3.72 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 0.00 0.00 0.00 0.00 79 V 8.81 4.50 2.20 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 0.81 0.00 0.00 1.00 0.00 0.00 80 F 8.20 4.56 0.00 2.86 3.04 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 81 R 7.68 3.77 0.00 1.80 1.88 0.00 3.18 0.00 0.00 3.28 7.33 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 8.37 4.49 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.02 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 83 E 8.24 3.64 0.00 2.14 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 0.00 2.22 2.23 0.00 *84 A 7.91 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.