NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2862 8.2649 123.5797 52.1217 19.9413 176.7858 2 C 4.6382 8.3983 118.0943 55.2863 41.6722 172.6085 3 D 4.2632 9.4813 125.0966 56.8699 42.4107 176.1475 4 Y 4.8347 8.3330 115.5881 56.5256 42.7507 174.5458 5 T 4.9573 8.6721 119.6097 62.1614 72.0312 173.8420 6 C 5.0282 9.2985 125.7072 55.6107 41.9968 176.3535 7 G 3.9491 8.4619 118.4398 46.8250 0.0000 173.5527 8 S 4.5572 9.0082 118.5000 57.7610 63.9992 173.8021 9 N 4.3651 8.3480 120.9423 52.9867 39.0639 172.7769 10 C 5.1225 8.1302 122.2926 54.9594 42.0357 172.3850 11 Y 5.3756 8.8166 123.3569 56.3319 41.6096 175.2552 12 S 5.0679 9.3114 118.0222 57.1245 65.5604 175.3302 13 S 4.3512 9.5535 117.3962 61.9149 62.4465 177.2813 14 S 4.1416 7.7020 117.2596 61.6383 62.6151 176.3923 15 D 4.3892 8.0438 122.3296 57.0190 40.5067 178.9457 16 V 3.4357 7.7305 118.1577 66.1081 31.6526 177.9993 17 S 4.0864 8.2998 115.1179 61.8715 62.5933 176.9314 18 T 3.8171 8.0830 118.0189 66.5607 68.2475 176.5249 19 A 4.2047 8.0622 122.5773 55.4058 18.3878 179.4034 20 Q 3.7693 8.4376 118.1658 59.1946 29.1270 178.3442 21 A 3.7962 7.9550 121.5366 54.9390 18.2910 179.5216 22 A 3.7994 7.7036 118.9679 55.2124 18.5024 180.1465 23 G 2.2537 7.0617 104.1626 47.4830 0.0000 175.2660 24 Y 3.3517 7.4678 122.2915 59.9163 38.6958 177.9772 25 K 3.9265 7.6811 120.4267 59.4388 32.2405 178.6984 26 L 3.8461 7.3117 118.9148 57.9724 41.6524 178.8905 27 H 3.8936 7.8149 118.0421 59.3511 29.4971 177.1035 28 E 3.7120 7.5222 119.0134 59.2349 29.3707 178.3827 29 D 4.5429 7.7829 116.1433 53.7141 41.3776 176.3214 30 G 3.8322 7.6566 107.1880 46.8508 0.0000 173.0126 31 E 4.9843 8.1691 118.4867 54.3161 33.0116 174.5962 32 T 5.2297 8.3260 111.9094 60.5901 72.4073 173.0882 33 V 4.5863 9.3085 114.9059 60.7759 36.4458 176.6790 34 G 4.6007 9.0234 106.9852 45.9552 0.0000 174.7526 35 S 4.1610 8.6200 113.9513 61.0865 63.0026 174.9987 36 N 4.4890 8.2326 115.4350 52.3041 38.7936 175.0565 37 S 3.7217 7.5019 113.8794 59.6612 60.4741 170.8683 38 Y 5.0488 8.4706 119.4499 55.9158 40.2976 174.4784 39 P 5.6674 0.0000 0.0000 63.1973 32.8626 174.8240 40 H 5.2928 8.8549 115.8774 53.3127 32.4734 172.4511 41 K 4.1240 9.0645 120.4278 57.3274 32.7269 175.0141 42 Y 4.8339 8.5803 127.3991 55.8865 41.0847 174.3179 43 N 4.7014 8.0893 123.8797 51.5393 41.0337 175.2453 44 N 4.2756 8.3542 125.4501 52.9190 38.2221 175.6479 45 Y 4.1887 7.0252 116.6543 59.5176 38.7223 177.2533 46 Q 3.9308 7.0954 117.6870 55.2360 29.3579 175.2638 47 G 3.6939 7.3240 105.9514 46.2873 0.0000 174.5272 48 F 4.3739 7.5005 117.0807 57.1931 39.8290 176.7381 49 D 4.6174 8.2609 124.0521 53.6567 39.1268 174.7546 50 F 4.9676 7.6210 119.7900 56.7572 40.3180 176.2701 51 S 4.6514 8.8399 119.8109 58.8011 63.2898 174.2531 52 V 4.6022 7.5903 113.4431 59.2238 34.3640 175.4395 53 S 4.5282 8.3906 116.7176 57.5635 64.0463 173.9842 54 S 3.2928 7.8104 116.4166 56.2390 64.3679 171.8348 55 P 4.1379 0.0000 0.0000 62.8093 32.3001 175.3569 56 Y 5.3089 7.9268 118.3656 56.6182 41.6194 174.3308 57 Y 5.1665 8.9229 118.9673 56.0917 42.4405 174.1259 58 E 5.0049 9.1019 120.6903 54.3715 32.6761 174.6864 59 W 5.3633 8.7633 131.4983 55.0604 34.5304 172.4033 60 P 4.3202 0.0000 0.0000 62.2572 31.4974 175.3241 61 I 4.2890 7.7064 123.7311 59.1044 40.0500 174.6788 62 L 4.6966 8.3207 129.1702 52.9066 43.2662 177.6671 63 S 4.3065 8.9239 117.8061 61.4662 62.9473 176.0166 64 S 4.1405 8.0299 114.4870 59.6322 62.8592 175.1716 65 G 4.0544 8.2490 108.9714 45.0902 0.0000 173.3968 66 D 4.6749 7.4751 118.8641 53.4829 41.7706 176.1907 67 V 4.0230 8.0942 121.2849 62.1104 32.3760 175.4104 68 Y 4.1261 8.7814 128.1415 58.2467 38.8548 175.7236 69 S 4.4804 7.9125 119.9822 58.1682 63.3720 174.4448 70 G 3.9577 5.7581 107.9097 45.8280 0.0000 174.5474 71 G 4.3915 7.0816 113.6823 45.1019 0.0000 174.6483 72 S 4.2882 8.7277 120.3644 57.7694 62.6973 172.3893 73 P 4.0297 0.0000 0.0000 62.4048 32.0130 177.6420 74 G 3.7913 7.3529 106.8450 45.2863 0.0000 172.4745 75 A 4.6806 8.3411 117.7599 52.0916 21.4785 176.8366 76 D 5.2087 7.9366 115.5834 53.3681 43.1634 175.8827 77 R 4.8618 8.8458 119.9627 54.6988 35.1594 174.3758 78 V 4.3736 8.6221 115.6279 59.7322 34.4187 175.0020 79 V 4.6948 8.5652 124.7469 60.9266 33.8785 174.3915 80 F 5.5432 8.5112 122.2054 55.2230 42.0117 173.6424 81 N 5.8723 8.8318 117.3935 50.3650 39.7466 175.1842 82 E 4.1255 9.3589 121.2829 59.8638 29.5919 177.5805 83 N 4.7939 8.4557 113.4898 51.3889 37.7225 178.0194 84 N 3.7044 8.1024 115.3924 55.6061 37.8793 173.8240 85 Q 4.5664 8.1157 114.6176 53.2454 30.9428 175.2215 86 L 4.3367 8.4153 124.1287 55.0844 42.7228 176.1765 87 A 4.0486 8.9059 129.8732 52.7912 19.6094 176.7915 88 G 3.8410 6.1872 100.9425 46.3742 0.0000 171.6524 89 V 4.7475 7.4959 119.1598 60.8278 33.9195 174.3772 90 I 5.0088 8.3611 120.5310 59.5052 41.5876 173.9532 91 T 5.2301 8.9725 115.9930 61.2477 70.7353 174.2670 92 H 4.4598 9.1428 122.7514 57.2174 29.2580 176.0421 93 T 3.9898 7.6976 117.1304 65.1447 68.3251 174.5407 94 G 3.9100 9.1836 114.1152 45.2426 0.0000 172.4661 95 A 4.8569 7.5746 121.7221 49.7094 21.8624 176.8234 96 S 4.3929 8.5345 115.1812 58.9897 65.1318 175.2125 97 G 3.6121 8.2101 113.8959 48.1375 0.0000 174.3397 *98 N 4.7737 8.7566 120.7204 51.7108 37.1402 173.9176 99 N 4.9410 7.9852 118.1507 53.9142 39.7539 173.3553 100 F 5.2435 9.0133 116.9705 56.4778 43.4317 174.8710 101 V 4.7813 8.8532 111.7787 59.8585 36.1056 175.1314 102 E 4.2450 8.3723 121.8158 55.9881 30.3540 177.4189 103 C 4.7260 8.8493 121.0010 57.0035 41.4126 174.1415 104 T 4.1749 8.6143 111.4472 61.8683 68.5262 174.4010 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 A 8.26 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.40 4.64 0.00 3.04 3.20 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 3 D 9.48 4.26 0.00 2.74 2.43 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 4 Y 8.33 4.83 0.00 3.04 2.88 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 5 T 8.67 4.96 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 6 C 9.30 5.03 0.00 3.21 3.24 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 7 G 8.46 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 8 S 9.01 4.56 0.00 3.95 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 9 N 8.35 4.37 0.00 2.84 2.29 0.00 0.00 6.39 7.30 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 10 C 8.13 5.12 0.00 2.83 2.79 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 0.00 0.00 0.00 0.00 11 Y 8.82 5.38 0.00 3.10 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 12 S 9.31 5.07 0.00 3.95 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 13 S 9.55 4.35 0.00 3.90 4.04 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 14 S 7.70 4.14 0.00 4.23 4.16 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 15 D 8.04 4.39 0.00 3.01 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 16 V 7.73 3.44 2.19 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 0.94 0.00 0.00 0.62 0.00 0.00 17 S 8.30 4.09 0.00 4.03 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 18 T 8.08 3.82 4.42 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 1.25 0.00 0.00 19 A 8.06 4.20 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 20 Q 8.44 3.77 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 21 A 7.96 3.80 1.33 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 0.00 0.00 0.00 22 A 7.70 3.80 1.31 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 23 G 7.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.47 3.35 0.00 2.35 2.62 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 25 K 7.68 3.93 0.00 1.90 1.79 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 26 L 7.31 3.85 0.00 1.57 1.73 0.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.81 3.89 0.00 3.07 2.94 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.52 3.71 0.00 1.97 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 2.22 1.95 0.00 29 D 7.78 4.54 0.00 2.72 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 30 G 7.66 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 0.00 0.00 0.00 31 E 8.17 4.98 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 32 T 8.33 5.23 4.43 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 1.35 0.00 0.00 33 V 9.31 4.59 2.17 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 0.90 0.00 0.00 1.34 0.00 0.00 34 G 9.02 4.60 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 0.00 0.00 0.00 35 S 8.62 4.16 0.00 4.02 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 36 N 8.23 4.49 0.00 2.31 2.58 0.00 0.00 7.01 7.57 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 37 S 7.50 3.72 0.00 3.95 3.90 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 38 Y 8.47 5.05 0.00 3.13 3.08 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 39 P 0.00 5.67 0.00 2.32 2.52 0.00 4.04 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 40 H 8.85 5.29 0.00 3.23 3.71 0.00 5.48 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.06 4.12 0.00 2.10 1.79 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.03 7.81 42 Y 8.58 4.83 0.00 2.88 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 43 N 8.09 4.70 0.00 2.72 2.70 0.00 0.00 7.08 8.00 0.00 0.00 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 N 8.35 4.28 0.00 2.93 2.76 0.00 0.00 6.95 7.56 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 45 Y 7.03 4.19 0.00 3.02 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 46 Q 7.10 3.93 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.22 1.76 0.00 47 G 7.32 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 48 F 7.50 4.37 0.00 1.77 2.34 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 49 D 8.26 4.62 0.00 2.62 2.62 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 50 F 7.62 4.97 0.00 3.08 2.83 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 51 S 8.84 4.65 0.00 3.93 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 52 V 7.59 4.60 2.18 0.00 0.00 0.00 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 1.12 0.00 0.00 53 S 8.39 4.53 0.00 3.95 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 54 S 7.81 3.29 0.00 3.40 2.84 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 55 P 0.00 4.14 0.00 1.83 1.80 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 56 Y 7.93 5.31 0.00 3.21 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 57 Y 8.92 5.17 0.00 1.87 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 5.00 0.00 1.87 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 0.00 2.32 2.22 0.00 59 W 8.76 5.36 0.00 3.66 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 60 P 0.00 4.32 0.00 0.83 1.22 0.00 2.20 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.71 4.29 1.60 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.66 0.39 0.00 0.00 62 L 8.32 4.70 0.00 1.95 1.60 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.92 4.31 0.00 3.93 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 64 S 8.03 4.14 0.00 4.03 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 65 G 8.25 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 66 D 7.48 4.67 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 4.02 2.19 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 1.06 0.00 0.00 1.04 0.00 0.00 68 Y 8.78 4.13 0.00 2.47 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 0.00 0.00 0.00 69 S 7.91 4.48 0.00 3.88 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 70 G 5.76 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 0.00 0.00 0.00 71 G 7.08 4.39 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 0.00 72 S 8.73 4.29 0.00 3.89 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 73 P 0.00 4.03 0.00 1.69 1.35 0.00 3.97 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 74 G 7.35 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.34 4.68 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 76 D 7.94 5.21 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.85 4.86 0.00 1.37 1.53 0.00 3.18 0.00 0.00 2.83 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 78 V 8.62 4.37 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 0.52 0.00 0.00 1.21 0.00 0.00 79 V 8.57 4.69 1.49 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 0.30 0.00 0.00 0.17 0.00 0.00 80 F 8.51 5.54 0.00 3.23 3.08 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 81 N 8.83 5.87 0.00 3.13 3.21 0.00 0.00 6.51 7.04 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 82 E 9.36 4.13 0.00 2.12 2.18 0.00 0.00 0.00 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 2.56 0.00 83 N 8.46 4.79 0.00 2.78 2.66 0.00 0.00 6.61 7.99 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 84 N 8.10 3.70 0.00 1.44 2.32 0.00 0.00 6.95 7.86 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 85 Q 8.12 4.57 0.00 2.31 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 86 L 8.42 4.34 0.00 1.70 1.56 0.89 0.99 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 87 A 8.91 4.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.19 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 89 V 7.50 4.75 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 0.83 0.00 0.00 -0.04 0.00 0.00 90 I 8.36 5.01 1.79 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.62 0.50 0.00 0.00 91 T 8.97 5.23 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 92 H 9.14 4.46 0.00 3.16 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.70 3.99 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 94 G 9.18 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 95 A 7.57 4.86 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 96 S 8.53 4.39 0.00 4.02 4.01 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 97 G 8.21 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 N 8.76 4.77 0.00 2.75 2.69 0.00 0.00 6.56 7.99 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 99 N 7.99 4.94 0.00 3.06 3.07 0.00 0.00 6.76 7.43 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 0.00 100 F 9.01 5.24 0.00 3.22 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 0.00 101 V 8.85 4.78 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 0.86 0.00 0.00 1.06 0.00 0.00 102 E 8.37 4.25 0.00 1.65 1.66 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 1.47 1.47 0.00 103 C 8.85 4.73 0.00 3.03 3.26 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 0.00 104 T 8.61 4.17 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 * Residues marked with a * may have inaccurate shift predictions.