NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3387 8.3044 120.3343 54.9269 33.6318 174.8326 2 S 4.0711 8.2453 118.4264 57.1649 63.3823 173.7218 3 S 4.1363 9.4506 122.4744 61.2458 63.4311 175.6093 4 E 3.8842 7.6241 118.0877 59.1211 29.4024 177.3551 5 H 4.5002 7.9403 114.1401 55.2037 28.9149 175.0417 6 R 4.2519 7.3471 119.0219 56.0250 30.4264 176.0660 7 C 4.6866 8.4730 119.3650 57.0340 40.8272 173.6610 8 I 4.3796 9.0770 114.4072 60.2537 38.5185 175.5440 9 D 4.7874 8.5483 119.5660 54.4900 42.3037 176.2772 10 T 4.4730 7.7661 115.3246 61.4788 70.4219 173.8687 11 N 4.4850 8.4701 124.6641 52.3206 38.1296 174.3801 12 V 3.5009 7.8804 125.6892 61.3543 32.0863 174.3080 13 P 4.1088 0.0000 0.0000 61.9064 31.8202 175.4457 14 E 3.8114 8.2471 121.1401 57.6663 30.1628 176.1592 15 N 3.8540 8.6841 120.0658 54.1640 35.8957 173.3190 16 A 5.1880 7.3777 116.6140 50.1346 22.4465 176.1979 17 A 4.4708 8.7794 120.9849 50.4012 22.1944 175.0389 18 C 5.4721 8.3094 117.8135 55.2691 48.1220 172.4965 19 Y 4.5662 8.8109 125.6805 55.5608 41.5755 173.7885 20 R 4.7584 7.9788 127.4397 54.8337 31.6630 175.6893 21 Y 4.6630 8.8825 124.8369 56.8474 39.1252 176.5659 22 L 4.1086 8.7701 120.5649 57.7934 41.6552 178.1824 23 D 4.5744 8.2513 115.7033 53.2740 39.7358 177.2312 24 G 3.9829 8.3554 109.2742 45.6146 0.0000 174.1129 25 T 4.4261 8.2448 110.2417 61.0112 70.0100 173.5669 26 E 5.2236 8.5728 121.0019 54.6037 33.1983 175.0375 27 E 4.9550 9.3154 122.7716 54.2100 33.0681 174.1967 28 W 5.6281 8.6417 123.2431 55.0485 30.9014 175.3154 29 R 4.6719 9.2227 120.0175 54.4302 33.9885 174.3186 30 C 4.9487 8.9711 119.9028 57.0094 39.9482 173.6606 31 L 4.3977 8.5703 121.4077 54.2806 42.5980 177.0047 32 L 3.8043 8.5128 120.6491 56.7485 42.1721 176.8588 33 Y 3.9194 8.2422 116.8036 58.8617 35.1524 168.8679 34 F 5.3299 7.8929 115.8688 55.7070 43.4456 174.1954 35 K 4.7161 9.3477 122.0011 54.5486 35.6127 174.9196 36 E 4.7833 8.9146 127.8741 56.2452 30.9147 175.8501 37 D 4.2959 9.6365 126.3134 53.9917 43.6870 175.0109 38 A 4.0545 9.9176 132.7873 53.3592 15.9294 177.2718 39 G 4.0518 8.7218 107.3797 45.0996 0.0000 172.7755 40 K 4.5337 8.0523 121.0678 54.7082 35.4267 174.4694 41 C 5.2073 8.7630 124.1783 55.6425 36.8572 173.2129 42 V 4.3471 9.0587 125.1031 61.2028 32.9170 173.5226 43 P 4.1007 0.0000 0.0000 62.4349 31.8336 177.0717 44 A 4.7812 8.5308 125.6867 50.2483 18.5503 175.0502 45 P 4.3166 0.0000 0.0000 64.0200 32.3237 177.7812 46 N 5.0796 7.7466 116.2727 52.7867 39.5070 174.2512 47 M 4.1892 7.8277 117.4056 55.7819 33.0497 174.8477 48 T 4.7160 7.9583 112.9784 59.4994 71.8552 175.3496 49 C 4.4759 8.5932 117.8813 59.1671 40.1481 175.2861 50 K 3.7691 7.7775 117.8407 57.4655 32.1353 176.3555 51 D 4.6153 8.1997 119.5574 52.7941 41.0490 175.8947 52 K 3.9309 9.1340 128.8243 57.4972 29.9261 175.6408 53 N 4.2319 8.8386 111.3509 54.6377 37.2769 174.9643 54 G 3.6652 8.6943 102.3437 45.2632 0.0000 175.5669 55 G 3.8675 8.2239 107.5369 45.1101 0.0000 173.7154 56 C 4.5054 7.5797 116.5477 55.8148 39.9855 173.4161 57 A 4.0423 8.5811 125.3264 51.9960 18.5311 177.1944 58 P 4.1747 0.0000 0.0000 65.4804 31.4278 177.3933 59 E 4.2293 8.0186 112.3208 56.4024 30.1443 175.7930 60 A 4.5718 7.8350 122.2624 51.3589 20.6381 176.2755 61 E 4.4347 8.8944 120.7046 55.0797 31.3876 173.8987 62 C 5.2556 8.7219 126.8773 55.0124 45.4712 172.7269 63 K 4.8285 8.8513 124.5713 54.8383 36.0083 175.0495 64 M 4.7273 8.5733 123.5200 54.4051 33.2223 176.0907 65 N 4.6843 9.4185 122.9574 52.7678 40.1384 175.4233 66 D 4.3906 8.4801 119.8060 56.8496 40.9428 177.4922 67 K 4.2208 8.1446 117.8107 56.1847 32.0881 176.0057 68 N 4.4167 8.0306 112.8968 54.5390 36.4090 173.7452 69 E 4.7213 7.9152 117.1064 55.6052 31.6011 175.3507 70 I 4.4184 8.9971 124.7829 60.5229 38.6116 175.5504 71 V 4.3321 8.8077 126.7890 61.4065 33.8538 173.4411 72 C 5.1962 8.8108 125.6539 55.5888 42.3362 173.1466 73 K 4.5782 9.1284 124.3060 54.7605 34.7903 174.5461 74 C 4.7962 8.8977 125.7475 56.1875 39.7171 173.5478 75 T 3.8405 8.3553 116.3365 63.6202 69.2495 175.6181 76 K 3.9569 7.9407 123.6422 55.9368 32.7515 175.3569 77 E 4.1157 8.6493 126.8078 57.4683 30.2822 176.8329 78 G 3.8423 8.8073 112.6805 45.8063 0.0000 172.6776 79 S 5.0196 7.7272 114.3450 57.5265 64.4790 173.5956 80 E 4.9258 9.7287 122.4961 53.6463 33.6264 173.3306 81 P 4.8553 0.0000 0.0000 62.9100 32.5124 175.3594 82 L 4.4703 9.2219 123.2814 53.3477 44.1195 176.5995 83 F 3.9390 8.7956 119.7523 59.0340 36.4745 176.1648 84 E 3.7843 9.2559 113.7519 57.5532 27.0897 175.7630 85 G 4.0786 8.2118 106.5580 45.2786 0.0000 176.3662 86 V 3.7721 7.4849 119.3353 64.9571 31.9534 176.0512 87 F 4.9905 8.1178 116.3411 55.6304 43.3391 174.5939 88 C 5.5855 8.9195 118.1370 55.2993 41.2228 173.3680 89 S 4.7875 9.2015 117.3651 56.3707 66.9937 172.2766 90 H 4.9542 8.9890 122.8033 57.4623 30.2172 175.3651 *91 H 4.3367 8.5747 121.9614 55.1251 28.3185 170.8392 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 8.30 4.34 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 2 S 8.25 4.07 0.00 3.98 3.75 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 3 S 9.45 4.14 0.00 3.86 3.81 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 4 E 7.62 3.88 0.00 1.89 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 2.24 2.24 0.00 5 H 7.94 4.50 0.00 2.82 2.02 0.00 5.62 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 6 R 7.35 4.25 0.00 1.75 1.82 0.00 3.13 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 7 C 8.47 4.69 0.00 2.95 3.15 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 8 I 9.08 4.38 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.93 0.00 0.00 9 D 8.55 4.79 0.00 2.88 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 10 T 7.77 4.47 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 1.29 0.00 0.00 11 N 8.47 4.48 0.00 2.61 2.69 0.00 0.00 7.05 7.71 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 12 V 7.88 3.50 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 0.76 0.00 0.00 0.93 0.00 0.00 13 P 0.00 4.11 0.00 1.70 1.66 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.94 0.00 14 E 8.25 3.81 0.00 1.81 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 2.20 2.26 0.00 15 N 8.68 3.85 0.00 2.29 1.42 0.00 0.00 6.72 7.08 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 16 A 7.38 5.19 1.24 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 17 A 8.78 4.47 0.21 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 0.00 0.00 0.00 18 C 8.31 5.47 0.00 3.02 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 19 Y 8.81 4.57 0.00 1.58 1.82 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 20 R 7.98 4.76 0.00 1.67 1.64 0.00 3.37 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 21 Y 8.88 4.66 0.00 3.33 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 22 L 8.77 4.11 0.00 1.75 1.82 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.25 4.57 0.00 2.79 2.80 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 0.00 0.00 0.00 24 G 8.36 3.98 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 0.00 0.00 0.00 25 T 8.24 4.43 4.35 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 0.00 0.00 0.00 1.30 0.00 0.00 26 E 8.57 5.22 0.00 2.03 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 2.21 2.31 0.00 27 E 9.32 4.95 0.00 2.33 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 0.00 2.27 2.20 0.00 28 W 8.64 5.63 0.00 3.53 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 29 R 9.22 4.67 0.00 1.50 1.59 0.00 2.21 0.00 0.00 2.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.42 0.00 30 C 8.97 4.95 0.00 2.96 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 31 L 8.57 4.40 0.00 1.62 1.72 0.87 0.48 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 32 L 8.51 3.80 0.00 1.59 1.01 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.24 3.92 0.00 3.10 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 34 F 7.89 5.33 0.00 3.12 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 35 K 9.35 4.72 0.00 1.76 1.64 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 36 E 8.91 4.78 0.00 2.09 1.85 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 2.39 2.61 0.00 37 D 9.64 4.30 0.00 2.78 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 38 A 9.92 4.05 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 39 G 8.72 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 0.00 0.00 0.00 40 K 8.05 4.53 0.00 1.83 1.79 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.38 7.81 41 C 8.76 5.21 0.00 2.95 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 42 V 9.06 4.35 2.25 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 0.82 0.00 0.00 1.00 0.00 0.00 43 P 0.00 4.10 0.00 1.90 1.79 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 44 A 8.53 4.78 1.19 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 0.00 0.00 45 P 0.00 4.32 0.00 2.10 2.07 0.00 3.66 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 46 N 7.75 5.08 0.00 2.69 2.82 0.00 0.00 6.87 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 47 M 7.83 4.19 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.46 0.00 48 T 7.96 4.72 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 1.28 0.00 0.00 49 C 8.59 4.48 0.00 2.97 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 50 K 7.78 3.77 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.36 7.81 51 D 8.20 4.62 0.00 2.64 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 52 K 9.13 3.93 0.00 1.91 1.79 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.32 7.81 53 N 8.84 4.23 0.00 2.92 2.93 0.00 0.00 6.99 7.91 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 54 G 8.69 3.67 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 0.00 0.00 0.00 55 G 8.22 3.87 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 0.00 0.00 0.00 56 C 7.58 4.51 0.00 3.03 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 57 A 8.58 4.04 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 58 P 0.00 4.17 0.00 2.01 2.10 0.00 3.58 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 1.98 2.02 0.00 59 E 8.02 4.23 0.00 2.06 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 0.00 2.23 2.24 0.00 60 A 7.84 4.57 1.29 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 0.00 0.00 61 E 8.89 4.43 0.00 2.04 1.81 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 2.23 2.23 0.00 62 C 8.72 5.26 0.00 3.16 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 63 K 8.85 4.83 0.00 1.70 1.63 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 64 M 8.57 4.73 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 65 N 9.42 4.68 0.00 2.82 2.73 0.00 0.00 6.82 8.60 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 66 D 8.48 4.39 0.00 2.69 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 67 K 8.14 4.22 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 68 N 8.03 4.42 0.00 2.96 2.98 0.00 0.00 6.88 7.65 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 69 E 7.92 4.72 0.00 1.98 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 2.41 2.36 0.00 70 I 9.00 4.42 1.55 0.00 0.00 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 1.05 0.52 0.80 0.00 0.00 71 V 8.81 4.33 2.22 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 0.99 0.00 0.00 0.96 0.00 0.00 72 C 8.81 5.20 0.00 3.02 2.97 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 73 K 9.13 4.58 0.00 1.73 1.61 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.37 7.81 74 C 8.90 4.80 0.00 3.00 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 75 T 8.36 3.84 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 1.21 0.00 0.00 76 K 7.94 3.96 0.00 1.81 1.73 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.44 7.81 77 E 8.65 4.12 0.00 1.97 1.84 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 2.29 2.31 0.00 78 G 8.81 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 79 S 7.73 5.02 0.00 3.90 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 80 E 9.73 4.93 0.00 1.73 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 2.19 2.19 0.00 81 P 0.00 4.86 0.00 2.13 2.06 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 82 L 9.22 4.47 0.00 1.89 1.59 0.82 1.05 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 83 F 8.80 3.94 0.00 3.34 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 84 E 9.26 3.78 0.00 2.22 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 0.00 2.27 2.38 0.00 85 G 8.21 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 0.00 0.00 0.00 86 V 7.48 3.77 2.22 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 0.60 0.00 0.00 0.98 0.00 0.00 87 F 8.12 4.99 0.00 3.01 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 88 C 8.92 5.59 0.00 3.03 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 89 S 9.20 4.79 0.00 3.76 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.99 4.95 0.00 3.22 3.27 0.00 5.88 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 H 8.57 4.34 0.00 3.10 2.85 0.00 7.29 0.00 0.00 0.00 0.00 6.91 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.