NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3908 8.3044 118.1932 54.2574 32.7919 174.4657 1 K 3.7980 8.3528 120.7058 56.0238 33.1266 173.6373 2 K 5.0860 9.0149 129.8002 54.5996 35.5149 174.2280 3 A 4.9038 9.0994 129.4506 50.0403 21.6955 174.9143 4 V 4.7209 8.9951 122.7052 60.9721 34.1650 174.8420 5 I 4.1779 8.6363 128.5410 59.5717 40.0106 174.6696 6 N 4.7957 8.6974 126.0679 51.6622 38.6674 175.9850 7 G 3.9960 9.4097 115.8120 48.5457 0.0000 174.1128 8 E 4.0205 8.2148 116.7087 58.9896 29.6932 177.7831 9 Q 4.1567 8.0239 116.4964 56.5910 29.2094 175.7871 10 I 4.2222 7.3685 119.6107 60.9327 36.9351 175.8488 11 R 4.4232 8.9525 125.2802 56.5751 31.2580 176.5767 12 S 4.5616 7.3063 111.6784 56.4239 66.6098 175.6610 13 I 3.7792 8.1342 121.1672 64.2507 37.5850 177.8274 14 S 4.2031 8.0518 115.7355 61.5894 62.7639 175.8511 15 D 4.3186 8.0853 120.6065 57.1860 40.9403 178.1378 16 L 3.9007 7.9443 120.7681 58.6027 42.1102 178.7337 17 H 4.3973 8.3898 116.1373 59.0807 28.6682 177.9052 18 Q 4.0899 8.5322 120.1032 59.1219 28.4198 178.8777 19 T 3.9060 7.9333 117.0331 66.4805 68.3879 176.8924 20 L 3.9284 8.0245 121.0207 57.4244 41.5553 179.3035 21 K 3.4609 8.1350 119.7937 59.2230 32.1268 178.7937 22 K 3.8528 7.7893 119.1321 59.7139 32.0377 178.6889 23 E 3.9172 8.2431 117.7018 58.9786 29.4469 178.0079 24 L 4.2782 8.1616 115.7528 53.6299 42.6033 175.9369 25 A 3.7378 7.4801 121.0390 53.1565 16.3068 176.8268 26 L 3.6980 7.6408 120.5660 53.0326 43.1360 176.1863 27 P 3.6522 0.0000 0.0000 62.1557 31.5209 177.6631 28 E 3.8096 8.3232 119.2665 59.3747 29.3929 177.3699 29 Y 4.4228 7.0104 114.7913 56.4699 38.5236 174.2464 30 Y 4.0409 7.6299 122.3296 58.2298 38.7724 177.4734 31 G 3.3408 8.4354 115.7808 46.2002 0.0000 172.4007 32 E 3.2083 5.9000 118.4459 56.1826 27.6155 173.7093 33 N 4.7802 6.6651 113.8792 50.5563 41.9709 174.3448 34 L 4.1383 8.5279 120.5914 58.2034 41.6558 179.6111 35 D 4.4869 8.2215 118.2151 57.1945 40.8914 178.4577 36 A 4.0989 8.7327 121.8906 54.8686 18.3126 179.4782 37 L 4.1619 8.2710 119.0568 58.1486 42.3709 178.9674 38 W 4.1806 8.5073 128.1393 60.5056 30.6467 177.7144 39 A 4.0327 8.4215 120.5129 55.1746 17.7123 179.5136 40 A 4.0612 8.1187 119.3200 55.1609 18.2761 179.4460 41 L 4.2365 7.9242 117.1400 55.5803 41.9094 177.7305 42 T 4.4441 7.1398 106.6235 61.1913 69.3654 175.4078 43 G 4.2334 8.1562 109.5726 45.6021 0.0000 173.0816 44 W 5.0170 8.0472 128.9760 58.1358 38.0584 175.1167 45 V 3.4000 7.9748 117.9824 62.7733 31.3623 174.8648 46 E 4.2313 8.0520 125.9066 54.7514 30.7019 175.6358 47 Y 4.5078 7.9318 121.7985 56.2312 39.2807 173.1713 48 P 5.0565 0.0000 0.0000 63.0363 32.5377 175.2951 49 L 5.0464 9.2161 122.3967 53.3571 45.9261 175.0957 50 V 4.7267 8.6999 125.1122 61.0426 34.2301 173.7645 51 L 4.8976 9.1520 130.9050 53.3828 44.2027 174.4383 52 E 4.9578 9.1595 129.0860 54.4249 31.3973 174.3828 53 W 5.0465 9.2975 135.0000 55.9318 32.4249 174.6060 54 R 4.6388 9.2373 127.3662 55.6123 31.6653 176.8474 55 Q 3.5754 8.4859 118.8914 56.3898 26.9411 174.4277 56 F 3.6512 8.5610 121.5128 59.3422 39.5254 174.6115 *61 Q 4.1234 8.2979 125.5797 55.1827 29.3287 170.8051 62 L 4.3579 8.1095 114.5201 57.7020 43.6359 178.2639 *65 N 4.5706 7.6732 113.9762 52.9637 39.9695 176.3770 66 G 3.6883 7.9986 107.8293 47.9627 0.0000 174.2447 67 A 4.2595 7.9467 122.9934 54.9768 18.4076 179.1951 68 E 4.1254 8.2618 117.6312 59.3842 29.5243 178.9362 69 S 4.1811 8.0604 113.8039 61.4122 63.1366 176.5091 70 V 3.9537 7.9206 121.8293 65.7757 31.4257 177.7589 71 L 4.4425 8.4233 120.1920 58.5042 41.8203 178.8858 72 Q 4.1117 8.6075 118.3171 58.9614 28.6176 179.0943 73 V 3.7384 7.8615 119.3566 66.0813 31.5849 178.1354 74 F 4.2085 8.4354 117.0531 60.7997 38.8455 177.7792 75 R 4.0690 8.4629 117.6737 59.0346 29.9103 178.8273 76 E 4.0082 8.6300 119.4075 59.2284 29.7065 178.6666 77 A 4.1908 8.5007 120.9635 55.0081 18.4108 179.5319 78 K 4.1349 8.6528 119.3719 59.1806 32.1014 179.0009 79 A 4.1121 8.0543 119.9413 54.6946 18.3373 178.4376 80 E 4.3969 7.6986 114.5349 56.2707 29.8646 176.8811 81 G 3.9097 7.8851 106.8307 45.1103 0.0000 174.6287 82 A 3.4532 7.9775 123.5578 51.9438 19.4000 177.0562 83 D 4.7511 8.2144 122.8909 53.2645 40.2727 173.3073 84 I 5.0705 7.7919 121.8895 59.1509 40.4820 174.5229 85 T 4.6051 8.9840 123.4659 61.8503 71.0502 173.0604 86 I 4.8516 8.4411 127.3073 59.6616 39.2561 175.0229 87 I 4.3260 8.9723 128.5720 59.6478 39.4605 174.9920 88 L 4.9894 8.6315 128.7157 53.3827 42.3365 176.9699 89 S 4.4668 8.4567 118.6130 58.2029 63.2426 174.1733 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 0 M 8.30 4.39 0.00 2.14 2.16 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 2.48 2.49 0.00 1 K 8.35 3.80 0.00 1.93 1.85 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 2 K 9.01 5.09 0.00 1.74 1.61 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 3 A 9.10 4.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.00 4.72 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 0.79 0.00 0.00 0.96 0.00 0.00 5 I 8.64 4.18 0.98 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.02 0.23 0.00 0.00 6 N 8.70 4.80 0.00 2.62 3.16 0.00 0.00 6.95 7.58 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 7 G 9.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 4.02 0.00 2.10 2.13 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 0.00 2.29 2.29 0.00 9 Q 8.02 4.16 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 10 I 7.37 4.22 2.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.98 0.00 0.00 11 R 8.95 4.42 0.00 1.77 1.97 0.00 3.37 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 1.59 1.69 0.00 12 S 7.31 4.56 0.00 4.01 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 13 I 8.13 3.78 1.93 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 1.78 1.41 0.96 0.00 0.00 14 S 8.05 4.20 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 15 D 8.09 4.32 0.00 2.79 2.92 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 16 L 7.94 3.90 0.00 1.86 1.89 0.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.39 4.40 0.00 3.46 3.53 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.53 4.09 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 19 T 7.93 3.91 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 1.10 0.00 0.00 20 L 8.02 3.93 0.00 1.88 1.68 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.14 3.46 0.00 1.90 1.98 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.27 7.81 22 K 7.79 3.85 0.00 1.84 1.87 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 23 E 8.24 3.92 0.00 1.97 1.94 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 2.39 2.51 0.00 24 L 8.16 4.28 0.00 1.66 1.71 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.48 3.74 1.39 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 0.00 0.00 0.00 26 L 7.64 3.70 0.00 1.10 0.96 -0.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 3.65 0.00 0.73 0.74 0.00 2.72 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 1.06 0.44 0.00 28 E 8.32 3.81 0.00 2.04 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 0.00 2.21 2.36 0.00 29 Y 7.01 4.42 0.00 3.04 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 30 Y 7.63 4.04 0.00 2.87 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 31 G 8.44 3.34 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 32 E 5.90 3.21 0.00 2.02 1.87 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 2.33 2.27 0.00 33 N 6.67 4.78 0.00 2.87 2.74 0.00 0.00 6.11 6.67 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 34 L 8.53 4.14 0.00 1.75 1.84 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.22 4.49 0.00 2.87 2.76 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 0.00 0.00 0.00 36 A 8.73 4.10 1.10 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 37 L 8.27 4.16 0.00 2.07 2.03 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.51 4.18 0.00 3.49 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 39 A 8.42 4.03 1.52 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 0.00 0.00 40 A 8.12 4.06 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 41 L 7.92 4.24 0.00 1.37 1.60 0.37 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.14 4.44 4.02 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 0.10 0.00 0.00 43 G 8.16 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 0.00 0.00 0.00 0.00 44 W 8.05 5.02 0.00 3.34 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.97 3.40 1.74 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 0.30 0.00 0.00 1.03 0.00 0.00 46 E 8.05 4.23 0.00 1.76 1.70 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 0.00 2.00 1.95 0.00 47 Y 7.93 4.51 0.00 3.04 2.86 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 48 P 0.00 5.06 0.00 2.13 2.31 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 49 L 9.22 5.05 0.00 1.82 1.83 0.95 1.46 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 50 V 8.70 4.73 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 0.97 0.00 0.00 0.95 0.00 0.00 51 L 9.15 4.90 0.00 1.52 1.35 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.16 4.96 0.00 2.05 1.78 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 2.25 2.27 0.00 53 W 9.30 5.05 0.00 3.49 2.89 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 54 R 9.24 4.64 0.00 1.88 1.90 0.00 3.35 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 55 Q 8.49 3.58 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 56 F 8.56 3.65 0.00 2.71 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 *61 Q 8.30 4.12 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 62 L 8.11 4.36 0.00 1.61 1.74 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 *65 N 7.67 4.57 0.00 2.88 2.87 0.00 0.00 6.83 7.59 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 66 G 8.00 3.69 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 0.00 0.00 0.00 67 A 7.95 4.26 1.10 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 68 E 8.26 4.13 0.00 2.21 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 0.00 2.42 2.64 0.00 69 S 8.06 4.18 0.00 4.15 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 70 V 7.92 3.95 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 1.45 0.00 0.00 1.13 0.00 0.00 71 L 8.42 4.44 0.00 1.62 1.78 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.61 4.11 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.77 0.00 73 V 7.86 3.74 2.33 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 1.25 0.00 0.00 1.11 0.00 0.00 74 F 8.44 4.21 0.00 3.45 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.07 0.00 2.08 2.04 0.00 3.07 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 76 E 8.63 4.01 0.00 2.17 2.32 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 2.43 2.33 0.00 77 A 8.50 4.19 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 78 K 8.65 4.13 0.00 2.01 2.09 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.32 7.81 79 A 8.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.70 4.40 0.00 2.23 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 0.00 2.42 2.73 0.00 81 G 7.89 3.91 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 0.00 0.00 0.00 82 A 7.98 3.45 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.21 4.75 0.00 2.73 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 84 I 7.79 5.07 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.63 1.07 0.00 0.00 85 T 8.98 4.61 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 1.22 0.00 0.00 86 I 8.44 4.85 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 1.34 0.59 0.88 0.00 0.00 87 I 8.97 4.33 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.09 0.93 0.00 0.00 88 L 8.63 4.99 0.00 1.47 1.58 0.72 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.46 4.47 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.