NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6412 8.1476 118.3354 54.7483 33.6540 174.0570 2 V 3.7647 8.1804 118.1003 61.5423 32.6684 173.7156 3 K 5.1173 10.3385 122.6754 54.8233 37.6873 176.3235 4 I 4.9193 8.3252 121.8961 59.9672 40.0007 175.3394 5 R 4.8211 9.0599 123.3687 55.2110 33.4195 173.4109 6 L 4.9684 8.4149 118.6810 53.9829 42.8234 176.3909 7 A 4.8785 8.7210 125.1641 50.0120 21.8103 175.4138 8 R 4.3378 8.7732 123.5174 56.2243 30.2229 175.9779 9 F 4.7065 9.1612 124.0870 55.8934 41.1395 176.7090 10 G 4.6249 8.4484 112.5091 44.1378 0.0000 176.7535 11 S 4.3814 8.4440 121.2396 56.5069 64.9621 173.8286 12 K 3.7404 8.6092 121.4571 58.4974 31.6948 175.6496 13 H 4.1957 9.0043 121.1505 56.5671 26.9224 174.7489 14 N 5.0269 8.7429 117.7821 51.5057 38.7448 172.2285 15 P 4.4237 0.0000 0.0000 63.7902 32.8774 177.9573 16 H 4.3467 8.1312 118.8508 55.5734 32.3010 172.4706 17 Y 5.2435 8.6927 121.8326 57.0868 40.7574 175.0846 18 R 5.0046 8.9295 120.1771 54.2572 33.0474 175.6743 19 I 4.2294 8.3252 126.0159 61.6148 38.1822 175.5850 20 V 4.6346 9.1578 126.4402 61.0236 35.6746 173.8818 21 V 4.5429 8.2359 125.8883 61.5295 33.1370 174.5536 22 T 4.7535 8.5386 121.4058 60.7534 71.7867 171.7455 23 D 4.6546 8.6160 124.2568 53.9108 41.8230 176.6310 24 A 4.0271 8.3072 129.1846 55.6416 18.4649 179.3217 25 R 4.0508 9.3184 114.2428 58.3585 30.3441 177.3867 26 R 4.1482 7.6997 118.1882 55.1703 30.3826 175.9594 27 K 4.2386 8.3545 121.5474 56.6069 33.3062 178.2490 28 R 3.9724 8.5294 116.2382 59.3507 29.5918 177.1931 29 D 4.7236 8.0144 115.8602 53.8069 40.9041 176.9838 30 G 3.8399 7.3277 108.8568 44.2637 0.0000 173.3532 31 K 3.7625 8.5050 121.2306 56.8942 31.2319 176.6052 32 Y 4.6253 7.6543 124.5371 56.0208 39.5564 175.6456 33 I 4.1010 8.5506 121.2187 64.0204 37.9608 176.6365 34 E 4.9345 7.9870 118.6357 55.2399 32.8680 174.3553 35 K 4.3977 9.0652 128.1253 55.0970 33.3786 175.8484 36 I 4.5760 8.7383 119.4418 59.6883 39.5281 175.2787 37 G 4.0722 7.5423 108.7798 48.1445 0.0000 171.3307 38 Y 5.2919 7.3537 115.0599 56.6413 41.6925 173.0878 39 Y 5.4732 9.1419 122.0729 56.6248 42.9613 173.0672 40 D 4.8932 9.6445 127.9128 51.8755 41.9248 175.0778 41 P 4.2485 0.0000 0.0000 63.8584 31.4680 177.2151 42 R 4.1779 8.0386 117.4317 55.8063 30.9827 176.9351 43 K 3.7992 7.3514 116.4955 57.7598 29.1256 174.8721 44 T 4.3025 8.7069 109.1063 62.0939 69.8897 175.3397 45 T 4.7697 7.4577 115.7951 59.7035 70.4631 171.8051 46 P 4.6369 0.0000 0.0000 64.6085 31.9597 175.9880 47 D 4.9243 8.4243 119.4789 52.7196 40.5781 175.1781 48 W 5.0080 7.5806 115.5547 56.1810 30.3151 177.0144 49 L 4.8007 7.1336 121.8107 54.2325 44.5075 174.2212 50 K 4.3988 8.2755 126.5195 54.9015 36.0725 174.8671 51 V 4.5654 7.8317 125.3526 61.1803 34.6831 175.4900 52 D 4.6524 9.0693 129.4693 52.6664 39.3399 176.4996 53 V 3.5683 7.7972 123.8328 64.7422 31.4393 178.1281 54 E 3.8303 8.1161 119.0090 59.1991 29.8646 178.4852 55 R 3.9948 9.2333 118.6887 59.4790 30.1839 178.5185 56 A 4.0858 8.5553 120.5528 55.3905 18.3406 179.5072 57 R 3.7763 7.7100 115.6357 59.9409 30.0297 177.9391 58 Y 4.1074 7.9478 117.1503 61.0954 38.8466 178.1876 59 W 3.9514 8.0318 118.5763 59.7196 29.1774 178.4068 60 L 4.0425 8.1446 119.1209 58.0537 40.8500 179.8295 61 S 4.1971 8.2295 113.3810 60.3868 62.8029 175.3125 62 V 4.1955 7.7378 115.4905 60.8862 31.7743 176.8239 63 G 3.9427 8.0913 109.4061 44.5942 0.0000 174.6766 64 A 4.2230 7.8780 121.0831 52.9239 19.0960 176.7932 65 Q 4.7014 8.7818 121.7565 53.4401 31.0474 173.4559 66 P 5.7066 0.0000 0.0000 61.5989 32.9634 176.2002 67 T 4.0361 8.4145 118.1970 63.8559 69.6483 175.1534 68 D 4.2976 8.7417 122.6207 58.0468 40.9061 179.3153 69 T 3.8361 7.8303 115.5368 66.2576 68.3592 176.5911 70 A 3.8436 7.7121 122.3184 55.1092 18.4947 179.2191 71 R 3.9483 8.4960 117.6186 59.6877 30.0729 178.2823 72 R 3.8661 7.9673 118.1965 59.7616 30.1463 178.4034 73 L 3.8652 7.7088 118.3020 57.6765 41.5593 179.5389 74 L 3.9051 8.2418 119.2998 57.6552 41.4484 179.5190 75 R 4.1727 8.5342 118.9702 59.7455 29.9003 178.1992 76 Q 3.5800 7.9875 117.6011 58.9515 28.9605 177.4064 77 A 4.3439 7.5528 118.8685 51.1089 19.1225 176.8660 78 G 3.7184 8.8120 106.8521 47.1627 0.0000 175.6073 79 V 3.6096 7.7515 119.5618 63.7393 31.8569 176.1341 80 F 4.8278 7.7367 115.3837 57.2045 40.4626 175.7433 81 R 4.1330 7.9861 120.7067 56.8242 30.5557 175.0993 82 Q 4.2618 8.3636 119.9537 57.1042 31.1434 176.3111 83 E 3.6817 7.9978 115.7321 55.3566 28.8077 174.2724 *84 A 4.1104 8.3286 120.9447 52.6743 18.9361 176.6684 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 4.64 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 -0.18 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 8.18 3.76 2.07 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 0.76 0.00 0.00 0.84 0.00 0.00 3 K 10.34 5.12 0.00 1.60 1.77 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.49 7.81 4 I 8.33 4.92 1.86 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 0.85 0.87 0.00 0.00 5 R 9.06 4.82 0.00 1.76 1.99 0.00 2.76 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 1.49 1.62 0.00 6 L 8.41 4.97 0.00 1.43 1.61 0.87 0.28 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 8.72 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.77 4.34 0.00 2.02 1.87 0.00 3.27 0.00 0.00 2.99 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 9 F 9.16 4.71 0.00 3.08 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 10 G 8.45 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.38 0.00 3.93 3.92 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 12 K 8.61 3.74 0.00 1.66 1.73 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.01 1.33 7.81 13 H 9.00 4.20 0.00 3.36 3.35 0.00 5.70 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 8.74 5.03 0.00 2.68 2.73 0.00 0.00 6.96 5.12 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 15 P 0.00 4.42 0.00 1.69 1.86 0.00 3.78 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 1.85 1.97 0.00 16 H 8.13 4.35 0.00 3.17 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.69 5.24 0.00 3.25 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 18 R 8.93 5.00 0.00 1.69 1.63 0.00 2.21 0.00 0.00 2.75 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 19 I 8.33 4.23 1.80 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 1.07 0.46 0.86 0.00 0.00 20 V 9.16 4.63 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 0.70 0.00 0.00 0.21 0.00 0.00 21 V 8.24 4.54 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 -0.43 0.00 0.00 0.13 0.00 0.00 22 T 8.54 4.75 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 1.21 0.00 0.00 23 D 8.62 4.65 0.00 2.77 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 24 A 8.31 4.03 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 25 R 9.32 4.05 0.00 1.86 2.01 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 26 R 7.70 4.15 0.00 1.80 1.85 0.00 3.36 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 27 K 8.35 4.24 0.00 1.98 1.94 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.52 7.81 28 R 8.53 3.97 0.00 1.99 2.13 0.00 3.10 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 29 D 8.01 4.72 0.00 2.60 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 30 G 7.33 3.84 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 0.00 0.00 0.00 31 K 8.51 3.76 0.00 1.69 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.34 7.81 32 Y 7.65 4.63 0.00 3.26 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 33 I 8.55 4.10 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.96 0.00 0.00 34 E 7.99 4.93 0.00 2.20 1.76 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 2.36 2.41 0.00 35 K 9.07 4.40 0.00 1.79 1.78 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.32 7.81 36 I 8.74 4.58 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.00 1.08 0.00 0.00 37 G 7.54 4.07 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 0.00 0.00 0.00 38 Y 7.35 5.29 0.00 3.20 3.02 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 0.00 0.00 0.00 0.00 39 Y 9.14 5.47 0.00 3.05 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 40 D 9.64 4.89 0.00 2.88 2.82 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 41 P 0.00 4.25 0.00 2.24 1.99 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 42 R 8.04 4.18 0.00 1.76 1.85 0.00 3.18 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 43 K 7.35 3.80 0.00 1.22 0.86 0.00 1.15 0.00 0.00 1.17 0.00 0.00 2.44 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.71 4.30 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 1.24 0.00 0.00 45 T 7.46 4.77 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 1.46 0.00 0.00 46 P 0.00 4.64 0.00 2.31 2.26 0.00 3.86 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 2.02 0.00 47 D 8.42 4.92 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 5.01 0.00 3.95 3.36 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 49 L 7.13 4.80 0.00 1.12 0.80 0.86 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.28 4.40 0.00 1.14 0.74 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.42 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.10 1.21 7.81 51 V 7.83 4.57 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 0.72 0.00 0.00 0.78 0.00 0.00 52 D 9.07 4.65 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.80 3.57 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 0.72 0.00 0.00 0.85 0.00 0.00 54 E 8.12 3.83 0.00 2.08 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 0.00 2.35 2.44 0.00 55 R 9.23 3.99 0.00 2.13 2.18 0.00 3.41 0.00 0.00 3.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.12 0.00 56 A 8.56 4.09 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 57 R 7.71 3.78 0.00 2.08 2.02 0.00 3.14 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 58 Y 7.95 4.11 0.00 2.93 3.05 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 59 W 8.03 3.95 0.00 3.58 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.04 0.00 1.85 1.77 0.84 0.77 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 61 S 8.23 4.20 0.00 3.91 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 62 V 7.74 4.20 1.96 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 0.46 0.00 0.00 0.33 0.00 0.00 63 G 8.09 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 0.00 0.00 0.00 64 A 7.88 4.22 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 8.78 4.70 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 66 P 0.00 5.71 0.00 2.20 2.09 0.00 3.43 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 67 T 8.41 4.04 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 1.21 0.00 0.00 68 D 8.74 4.30 0.00 2.66 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 69 T 7.83 3.84 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 1.05 0.00 0.00 70 A 7.71 3.84 1.36 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 0.00 0.00 71 R 8.50 3.95 0.00 1.88 2.20 0.00 3.02 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 72 R 7.97 3.87 0.00 1.98 2.10 0.00 3.13 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 73 L 7.71 3.87 0.00 1.72 1.49 0.33 0.09 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 74 L 8.24 3.91 0.00 2.01 1.53 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.53 4.17 0.00 2.16 2.13 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 76 Q 7.99 3.58 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 77 A 7.55 4.34 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 8.81 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 7.75 3.61 1.35 0.00 0.00 0.00 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 0.73 0.00 0.00 80 F 7.74 4.83 0.00 3.03 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 81 R 7.99 4.13 0.00 1.78 1.85 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 82 Q 8.36 4.26 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.82 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 83 E 8.00 3.68 0.00 2.13 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 2.20 2.23 0.00 *84 A 8.33 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.