NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2085 8.3349 116.7810 56.8774 64.8668 170.6229 5 L 3.6240 8.0653 126.5060 52.5439 41.1871 172.8407 6 K 4.5550 9.1251 118.4935 57.4247 37.7687 175.7202 7 K 4.3624 8.3755 118.3978 56.8615 34.1543 175.5977 8 G 4.3117 7.8390 105.8237 43.7757 0.0000 172.3574 9 V 4.2432 7.8958 115.0831 61.1525 32.8694 175.6904 10 F 4.1551 8.4105 111.4385 58.0076 36.8289 175.1253 11 V 3.7586 7.0583 119.6508 61.0475 32.1168 175.6784 12 D 4.4455 8.6091 124.4517 54.8577 40.8916 176.1820 13 D 4.9451 8.8384 123.9110 54.9045 40.8527 177.1901 14 H 4.8228 7.9695 115.5077 55.9294 29.2881 175.8092 15 L 4.0957 7.4056 121.5991 56.8470 42.3975 178.2429 16 L 3.9491 7.7367 118.4246 57.9562 41.6214 179.1155 17 E 3.9995 7.9289 118.7638 58.7318 29.3943 177.9400 18 K 4.2170 7.3316 116.7603 57.0122 32.6790 177.3235 19 V 4.2339 7.7742 116.2674 63.0530 32.5311 175.7894 20 L 4.4143 8.2811 117.0105 55.4330 42.5861 176.9083 21 E 4.4470 7.6765 116.8178 56.7830 30.5608 177.3791 22 L 4.1665 7.5877 118.8917 56.1197 42.2498 177.5571 23 N 4.4907 7.4132 115.5247 54.7985 39.1337 175.9174 24 A 4.2249 6.9649 120.5270 52.2415 15.9638 177.4057 25 K 4.0251 8.3433 119.1534 55.2299 30.9405 175.6864 26 G 4.2012 7.7516 106.1991 45.3126 0.0000 174.9546 27 E 4.5151 7.6548 126.2337 56.2563 30.8383 177.6389 28 K 4.6355 8.3180 126.7074 56.5132 31.4032 178.1948 29 R 4.4063 8.3065 119.3932 57.6841 34.2503 174.2906 30 L 3.9448 7.9966 120.0389 55.5322 41.2570 175.1207 31 I 4.5818 8.0030 123.0793 59.0891 41.3066 173.5763 32 K 4.8035 8.6511 128.4859 55.0086 34.5126 175.2469 33 T 4.7758 8.0623 117.3479 60.3554 71.8494 173.0551 34 W 4.9259 8.9499 122.1074 56.8321 30.4114 176.5070 35 S 4.9491 7.5826 109.1479 57.4601 62.1047 174.9600 36 R 4.4488 7.9345 113.8711 57.5866 30.1544 178.0014 37 R 4.2473 7.6842 114.8279 57.8939 30.2211 176.6434 38 S 4.9225 7.8695 113.2061 57.2083 65.7972 173.3626 39 T 4.5061 7.6140 116.3728 62.7243 69.5347 175.0379 40 I 3.9274 8.0534 125.9045 61.1974 37.8131 176.0643 41 V 3.9484 8.2837 126.9201 60.7734 32.5077 173.6290 42 P 4.2967 0.0000 0.0000 64.1820 31.8507 174.9404 43 E 4.1707 8.9085 119.4678 56.9281 29.3221 176.0579 44 M 4.2192 7.6182 115.2421 55.7406 31.5361 176.0090 45 V 3.8496 7.3121 113.8126 63.9669 31.4199 175.4657 46 G 3.9466 8.6735 115.0555 44.1268 0.0000 173.9455 47 H 4.5695 7.2712 117.9500 53.8262 27.0269 173.7819 48 T 3.6537 7.6500 111.0140 62.4877 69.7164 173.6570 49 I 4.7588 8.2023 126.3159 59.2470 39.6254 174.8719 50 A 5.0620 8.6735 129.4922 50.6681 19.9790 176.3102 51 V 4.7067 8.2639 121.6821 61.0819 35.4859 173.3946 52 Y 5.3894 8.2732 126.6635 56.0274 39.0858 174.8977 53 N 4.7604 9.5667 122.6628 52.3690 38.7132 173.8726 54 G 3.4197 6.4468 111.6962 45.1737 0.0000 173.9906 55 K 4.3074 7.2932 119.5863 57.2490 34.1768 174.9188 56 Q 4.3711 6.8298 114.6955 55.6744 31.8146 172.0477 57 H 4.8809 8.7006 117.7857 54.6713 30.4492 175.1287 58 V 3.9362 8.4253 119.2882 59.0855 32.1447 176.7223 59 P 4.4476 0.0000 0.0000 62.0810 30.1807 177.9342 60 V 3.7134 7.5010 117.9229 62.3644 32.2672 175.6148 61 Y 4.1824 8.6054 126.2774 57.8942 40.4672 174.8910 62 I 4.2297 6.6400 121.8823 59.6178 41.1168 173.5498 63 T 4.9650 8.1158 123.3791 59.5607 70.9528 174.1931 64 E 4.0235 8.9339 120.7353 58.7127 29.5751 177.8320 65 N 4.3596 8.3155 116.7667 55.5117 38.7124 174.5293 66 M 4.8895 8.0490 115.0497 53.4711 33.1672 174.5309 67 V 4.2718 8.6072 121.0536 64.3678 34.5109 176.6658 68 G 3.7084 8.0976 106.1060 47.9963 0.0000 173.5532 69 H 4.5924 8.0211 117.0031 55.3175 29.8630 174.9339 70 K 5.0677 8.3065 119.9478 55.3526 32.8796 177.9354 71 L 4.5208 8.6430 118.1410 55.6714 41.0761 178.1199 72 G 4.0998 7.7856 107.7730 45.8653 0.0000 175.2668 73 E 4.0140 8.3082 118.6957 58.4941 29.7617 177.0654 74 F 4.6758 7.9358 116.5707 56.3220 39.5467 176.4161 75 A 4.3580 7.6787 124.5975 50.3994 20.3628 175.1748 76 P 4.3455 0.0000 0.0000 63.8683 31.9407 176.7895 77 T 4.1433 8.5251 112.3080 63.0802 69.6493 175.0917 78 R 4.6834 7.6489 118.7083 54.3111 32.8115 175.3033 79 T 4.3925 8.2064 116.8167 63.7856 70.2893 173.5232 80 Y 3.5832 8.4859 121.2949 58.7317 36.1653 169.6870 81 R 3.8343 7.6746 116.8704 55.9934 31.2914 177.5925 *82 G 3.7274 8.4394 107.7370 46.0087 0.0000 172.8659 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 4 S 8.33 4.21 0.00 3.86 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 5 L 8.07 3.62 0.00 2.02 1.98 1.12 0.47 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 6 K 9.13 4.56 0.00 1.83 1.87 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 7 K 8.38 4.36 0.00 1.74 1.88 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.46 7.81 8 G 7.84 4.31 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 0.00 9 V 7.90 4.24 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 0.78 0.00 0.00 0.90 0.00 0.00 10 F 8.41 4.16 0.00 3.31 3.14 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 11 V 7.06 3.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.87 0.00 0.00 12 D 8.61 4.45 0.00 2.73 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 13 D 8.84 4.95 0.00 2.70 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 14 H 7.97 4.82 0.00 3.31 3.53 0.00 5.25 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.41 4.10 0.00 1.57 1.67 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.74 3.95 0.00 1.70 1.70 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.93 4.00 0.00 2.24 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 0.00 2.31 2.32 0.00 18 K 7.33 4.22 0.00 1.72 1.79 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 19 V 7.77 4.23 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 0.97 0.00 0.00 0.94 0.00 0.00 20 L 8.28 4.41 0.00 1.67 1.66 0.90 0.79 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 21 E 7.68 4.45 0.00 2.31 2.28 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 2.30 2.30 0.00 22 L 7.59 4.17 0.00 1.74 1.58 0.86 0.62 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 23 N 7.41 4.49 0.00 2.93 2.99 0.00 0.00 7.13 7.84 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 24 A 6.96 4.22 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 K 8.34 4.03 0.00 2.08 2.11 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 G 7.75 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 0.00 0.00 0.00 0.00 27 E 7.65 4.52 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 28 K 8.32 4.64 0.00 1.74 1.47 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.31 4.41 0.00 1.91 2.03 0.00 3.10 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 30 L 8.00 3.94 0.00 1.62 1.68 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.00 4.58 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.52 0.93 0.00 0.00 32 K 8.65 4.80 0.00 1.46 1.06 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.17 1.30 7.81 33 T 8.06 4.78 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 1.25 0.00 0.00 34 W 8.95 4.93 0.00 3.37 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.95 0.00 4.06 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 0.00 36 R 7.93 4.45 0.00 2.08 2.16 0.00 3.42 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 37 R 7.68 4.25 0.00 2.12 2.19 0.00 3.17 0.00 0.00 3.53 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 38 S 7.87 4.92 0.00 3.80 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 39 T 7.61 4.51 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 1.19 0.00 0.00 40 I 8.05 3.93 2.04 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 1.10 0.75 0.84 0.00 0.00 41 V 8.28 3.95 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 0.98 0.00 0.00 0.86 0.00 0.00 42 P 0.00 4.30 0.00 2.19 2.03 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 43 E 8.91 4.17 0.00 2.14 2.24 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 2.21 2.28 0.00 44 M 7.62 4.22 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 45 V 7.31 3.85 2.02 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 0.58 0.00 0.00 0.88 0.00 0.00 46 G 8.67 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 47 H 7.27 4.57 0.00 3.20 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.65 3.65 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 1.09 0.00 0.00 49 I 8.20 4.76 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.86 0.00 0.00 50 A 8.67 5.06 1.16 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 0.00 0.00 51 V 8.26 4.71 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 1.11 0.00 0.00 0.93 0.00 0.00 52 Y 8.27 5.39 0.00 2.61 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 53 N 9.57 4.76 0.00 2.82 2.81 0.00 0.00 6.27 7.00 0.00 0.00 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 G 6.45 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.29 4.31 0.00 1.58 1.64 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.40 7.81 56 Q 6.83 4.37 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 57 H 8.70 4.88 0.00 3.01 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.43 3.94 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 0.71 0.00 0.00 0.97 0.00 0.00 59 P 0.00 4.45 0.00 2.20 2.13 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 60 V 7.50 3.71 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 0.87 0.00 0.00 1.00 0.00 0.00 61 Y 8.61 4.18 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.64 4.23 1.60 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 1.04 0.97 0.69 0.00 0.00 63 T 8.12 4.96 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 64 E 8.93 4.02 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 65 N 8.32 4.36 0.00 2.73 3.00 0.00 0.00 6.71 7.66 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 66 M 8.05 4.89 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.57 0.00 67 V 8.61 4.27 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 0.83 0.00 0.00 0.98 0.00 0.00 68 G 8.10 3.71 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 0.00 0.00 0.00 69 H 8.02 4.59 0.00 3.69 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.31 5.07 0.00 1.89 2.01 0.00 2.45 0.00 0.00 2.12 0.00 0.00 3.54 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.64 1.47 7.81 71 L 8.64 4.52 0.00 1.86 1.75 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.79 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 0.00 0.00 0.00 0.00 73 E 8.31 4.01 0.00 1.61 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 74 F 7.94 4.68 0.00 3.02 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 75 A 7.68 4.36 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 76 P 0.00 4.35 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 77 T 8.53 4.14 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 78 R 7.65 4.68 0.00 1.79 1.87 0.00 3.19 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 79 T 8.21 4.39 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 1.25 0.00 0.00 80 Y 8.49 3.58 0.00 3.01 3.09 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 81 R 7.67 3.83 0.00 1.77 1.76 0.00 3.40 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 *82 G 8.44 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.