NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5798 8.1476 118.3357 55.3490 33.8379 172.9565 2 V 4.0328 8.2795 119.4301 60.9863 33.0259 174.0869 3 K 5.0099 9.2204 126.3839 54.6692 36.0671 177.0606 4 I 5.3775 8.9109 120.7270 58.7666 36.5380 176.5979 5 R 4.7704 7.4999 124.7232 54.5666 33.0354 175.8840 6 L 5.7234 8.7433 116.8221 52.1757 46.2186 175.7668 7 A 4.4955 8.3338 121.5717 50.0616 21.8976 175.7148 8 R 3.7897 9.2095 124.2590 55.9228 29.0099 175.8610 9 F 4.7539 8.3373 124.9587 56.2142 42.0035 175.4776 10 G 4.3373 8.8562 105.3749 47.1958 0.0000 175.3516 11 S 4.4512 8.2316 115.0698 58.1257 62.8115 173.7686 12 K 4.1567 8.5459 121.6506 57.9501 32.8120 179.0522 13 H 4.2819 8.6667 119.0025 56.7950 28.3454 174.8248 14 N 4.9265 8.0691 118.9598 51.2644 37.7837 171.8467 15 P 4.8493 0.0000 0.0000 63.5540 32.6763 176.3708 16 H 4.9130 8.4242 112.8733 56.6767 30.2444 173.5858 17 Y 5.1012 7.8349 115.4386 55.9736 40.7693 176.2432 18 R 4.8938 8.7134 121.2551 54.4380 33.5812 174.3816 19 I 4.3460 8.9737 129.2374 61.7267 38.1483 175.8214 20 V 4.6828 8.6481 125.9290 60.5879 35.3975 173.0502 21 V 4.4350 7.5707 120.7423 60.7212 33.3492 175.0286 22 T 4.2337 8.0467 114.2288 61.2729 71.6062 171.8072 23 D 4.4858 9.2067 128.3406 55.4607 39.5644 178.7312 24 A 3.5341 8.5556 125.2278 54.4123 19.9473 179.2209 25 R 3.9671 7.4436 111.3577 58.7742 30.2102 177.3978 26 R 4.0577 7.7648 116.9862 56.1132 30.6174 175.4509 27 K 4.4209 8.3434 117.1739 55.6279 33.6656 176.7423 28 R 3.1799 7.6599 115.6247 60.4236 31.1735 175.8260 29 D 4.4016 8.1127 116.0340 54.8886 41.1385 176.9540 30 G 3.8811 8.6872 110.1443 44.1585 0.0000 173.7704 31 K 3.7836 8.2344 120.3362 56.5416 32.6005 175.0224 32 Y 4.9833 7.5898 122.9253 54.9723 41.4922 173.8149 33 I 3.7404 8.5376 123.0221 62.6845 36.2086 176.6199 34 E 4.9232 8.6218 124.4737 54.5269 33.9499 175.2579 35 K 4.3082 9.0407 127.0125 56.5978 32.8666 176.2669 36 I 4.6215 9.3325 115.6581 59.1436 40.1902 175.2087 37 G 4.7240 7.4448 110.6083 46.2183 0.0000 170.1939 38 Y 5.3184 7.0095 117.6784 55.8356 41.7960 173.5538 39 Y 5.0149 8.4056 117.3697 57.0899 42.4447 173.4079 40 D 4.5317 8.5471 126.8232 51.8080 42.7106 173.5230 41 P 4.0082 0.0000 0.0000 66.4408 31.1247 178.4266 42 R 3.9158 7.9186 115.1848 55.4952 29.8437 176.6100 43 K 3.1234 7.4842 116.5214 56.9001 30.1292 175.1805 44 T 3.9429 7.0848 108.6358 62.9717 69.2485 174.5010 45 T 3.4438 8.5805 123.1385 63.4276 67.2855 171.6579 46 P 4.7762 0.0000 0.0000 63.1918 31.1033 176.5487 47 D 5.0240 9.1554 116.5223 53.7077 40.9062 174.8777 48 W 5.0829 7.8932 114.1021 55.3929 30.3380 176.1488 49 L 4.4054 7.1776 117.9055 55.1952 44.1722 172.8554 50 K 4.4779 7.0782 126.0688 55.2812 36.5032 174.7890 51 V 4.4950 7.7398 121.3438 60.7715 34.2429 174.8485 52 D 4.7104 9.8114 130.0549 54.6527 37.4853 176.5884 53 V 3.4899 7.8272 114.3843 63.8129 32.0067 177.3785 54 E 3.8721 7.9806 117.3785 59.9545 29.5771 180.1365 55 R 3.8975 8.0277 117.0917 59.2230 29.7758 178.6808 56 A 4.1318 8.9935 121.7275 55.4154 18.1977 180.0197 57 R 3.8913 8.3605 116.6709 59.4151 29.9872 177.9651 58 Y 3.9898 7.5306 120.7135 60.1756 38.7302 178.4985 59 W 4.7576 8.0007 119.3958 59.6177 29.0748 178.3359 60 L 4.4250 7.4314 115.7771 56.9194 41.2473 178.8944 61 S 3.9836 8.5003 113.3361 60.3220 62.8850 175.6355 62 V 4.2850 7.7297 112.5609 60.9308 32.5700 175.8838 63 G 3.8646 9.1511 109.1050 45.7051 0.0000 171.8676 64 A 5.0158 8.0014 120.5861 50.5423 22.1009 176.3019 65 Q 4.4637 8.8722 122.2293 54.0014 30.3131 174.3467 66 P 4.7999 0.0000 0.0000 62.1471 33.1516 176.0924 67 T 4.3288 7.9784 116.2185 63.4930 70.7633 174.8387 68 D 4.4265 8.6343 120.2886 57.3854 41.2204 178.0114 69 T 4.2637 7.6693 108.0892 62.6843 69.3044 176.4920 70 A 3.9381 7.5861 123.9419 54.5707 18.7837 179.0453 71 R 3.9482 7.6785 117.4764 59.7078 30.1216 178.5569 72 R 3.8321 7.4816 116.7563 59.6375 29.9415 178.4902 73 L 4.0801 7.5095 116.7909 57.3595 41.7522 179.0954 74 L 4.1516 7.6440 119.3170 57.2712 41.6246 179.0871 75 R 4.1331 7.9551 118.7263 59.4113 29.7824 178.2899 76 Q 4.0438 8.4644 118.7899 58.1520 29.0615 176.6761 77 A 4.4986 7.6435 120.2176 50.3202 19.9574 178.0770 78 G 3.8593 7.1049 102.4750 47.4609 0.0000 173.1779 79 V 4.0153 7.6908 123.3129 63.7695 33.6236 176.7785 80 F 4.4238 7.9823 116.9533 58.9601 39.5031 176.2509 81 R 3.9581 8.1738 119.5423 57.2529 29.9039 175.6128 82 Q 4.4293 8.2240 118.7068 54.8061 30.6888 175.0757 83 E 3.5053 8.0998 119.7292 57.2872 27.6251 174.0905 *84 A 4.1104 8.2878 128.4221 52.8746 18.9361 177.1377 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 4.58 0.00 2.09 2.34 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 8.28 4.03 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 0.85 0.00 0.00 0.87 0.00 0.00 3 K 9.22 5.01 0.00 1.65 1.86 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 4 I 8.91 5.38 1.84 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 0.83 0.38 0.91 0.00 0.00 5 R 7.50 4.77 0.00 1.85 2.00 0.00 3.04 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 6 L 8.74 5.72 0.00 1.61 1.81 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.33 4.50 0.68 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 0.00 0.00 8 R 9.21 3.79 0.00 1.50 1.65 0.00 3.08 0.00 0.00 3.08 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.00 9 F 8.34 4.75 0.00 3.04 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 10 G 8.86 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 0.00 0.00 0.00 0.00 11 S 8.23 4.45 0.00 3.88 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 12 K 8.55 4.16 0.00 1.77 1.68 0.00 1.91 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.35 7.81 13 H 8.67 4.28 0.00 3.36 3.40 0.00 5.71 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 8.07 4.93 0.00 2.75 2.70 0.00 0.00 7.05 7.70 0.00 0.00 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 4.85 0.00 2.31 1.95 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 16 H 8.42 4.91 0.00 3.02 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.83 5.10 0.00 3.25 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 8.71 4.89 0.00 2.35 1.98 0.00 3.55 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 19 I 8.97 4.35 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.86 0.00 0.00 20 V 8.65 4.68 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.40 0.00 0.00 21 V 7.57 4.43 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 0.13 0.00 0.00 -0.02 0.00 0.00 22 T 8.05 4.23 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 1.17 0.00 0.00 23 D 9.21 4.49 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 24 A 8.56 3.53 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 25 R 7.44 3.97 0.00 1.98 2.02 0.00 3.19 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 26 R 7.76 4.06 0.00 1.79 1.93 0.00 3.52 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 27 K 8.34 4.42 0.00 1.91 1.91 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 28 R 7.66 3.18 0.00 1.77 1.75 0.00 3.18 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 29 D 8.11 4.40 0.00 2.62 2.52 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 30 G 8.69 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 31 K 8.23 3.78 0.00 1.69 1.74 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.34 7.81 32 Y 7.59 4.98 0.00 3.24 2.90 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 33 I 8.54 3.74 1.70 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 1.14 0.57 0.87 0.00 0.00 34 E 8.62 4.92 0.00 2.15 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 2.40 2.39 0.00 35 K 9.04 4.31 0.00 2.01 1.81 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.44 7.81 36 I 9.33 4.62 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 1.01 0.00 0.00 37 G 7.44 4.72 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 38 Y 7.01 5.32 0.00 3.20 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 39 Y 8.41 5.01 0.00 2.85 2.94 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 40 D 8.55 4.53 0.00 2.67 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 4.01 0.00 2.27 2.32 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 42 R 7.92 3.92 0.00 1.76 1.94 0.00 3.35 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 43 K 7.48 3.12 0.00 1.20 0.74 0.00 1.38 0.00 0.00 1.30 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.30 1.27 7.81 44 T 7.08 3.94 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 1.16 0.00 0.00 45 T 8.58 3.44 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 1.32 0.00 0.00 46 P 0.00 4.78 0.00 2.28 2.20 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 47 D 9.16 5.02 0.00 2.64 2.72 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 48 W 7.89 5.08 0.00 3.54 3.29 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 49 L 7.18 4.41 0.00 1.21 0.83 0.79 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.08 4.48 0.00 1.45 1.17 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.36 7.81 51 V 7.74 4.49 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 0.69 0.00 0.00 0.80 0.00 0.00 52 D 9.81 4.71 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.49 2.04 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 0.79 0.00 0.00 0.91 0.00 0.00 54 E 7.98 3.87 0.00 1.98 2.01 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 2.40 2.40 0.00 55 R 8.03 3.90 0.00 2.06 2.09 0.00 3.30 0.00 0.00 3.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 56 A 8.99 4.13 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 57 R 8.36 3.89 0.00 2.02 1.96 0.00 3.12 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 58 Y 7.53 3.99 0.00 2.76 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 59 W 8.00 4.76 0.00 3.51 3.30 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 60 L 7.43 4.43 0.00 1.92 1.76 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.50 3.98 0.00 3.85 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 62 V 7.73 4.29 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 0.34 0.00 0.00 1.19 0.00 0.00 63 G 9.15 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 64 A 8.00 5.02 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 65 Q 8.87 4.46 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 66 P 0.00 4.80 0.00 1.98 2.02 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 67 T 7.98 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 1.18 0.00 0.00 68 D 8.63 4.43 0.00 2.65 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 7.67 4.26 4.10 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 0.00 0.00 0.00 1.14 0.00 0.00 70 A 7.59 3.94 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 71 R 7.68 3.95 0.00 2.14 2.08 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 72 R 7.48 3.83 0.00 1.94 1.87 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 73 L 7.51 4.08 0.00 1.48 1.54 0.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.64 4.15 0.00 2.05 1.60 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.96 4.13 0.00 2.12 2.01 0.00 3.07 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 76 Q 8.46 4.04 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 77 A 7.64 4.50 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 78 G 7.10 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 79 V 7.69 4.02 1.25 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 0.53 0.00 0.00 0.83 0.00 0.00 80 F 7.98 4.42 0.00 3.02 3.10 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 0.00 0.00 0.00 0.00 81 R 8.17 3.96 0.00 1.82 1.91 0.00 3.19 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 82 Q 8.22 4.43 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 5.67 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 83 E 8.10 3.51 0.00 2.17 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 2.19 2.24 0.00 *84 A 8.29 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.