NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 N 4.7248 8.3829 117.7897 52.1599 39.9781 175.1030 4 S 4.3403 8.2745 119.2400 62.1089 62.6125 174.9990 5 R 4.2084 8.1343 119.8046 59.7388 30.3345 177.8669 6 Y 4.4937 7.9412 120.1840 60.7013 38.9568 178.0049 7 T 3.6990 7.9756 116.2390 66.6818 68.5621 176.2355 8 H 4.1783 8.2120 120.2276 59.0067 29.8549 177.0967 9 F 4.0974 8.7569 122.8920 61.3681 39.3020 176.9726 10 L 3.8334 8.0329 118.6432 58.1069 41.1654 179.5999 11 T 3.8299 7.6297 114.3130 66.8586 68.5338 176.1907 12 Q 4.1012 7.5548 117.3925 57.6958 29.2286 176.3231 13 H 4.7454 7.9987 113.2947 53.9214 32.3184 171.9899 14 Y 5.2600 8.1296 120.4389 55.7650 41.3536 174.4669 15 D 4.2170 9.0675 125.7882 52.4845 43.9709 175.5848 16 A 3.8837 8.1249 128.9286 54.0621 18.6412 177.2075 17 K 4.9378 7.2843 114.7392 53.6047 32.8107 174.4084 18 P 4.2418 0.0000 0.0000 62.8821 32.2475 177.4177 19 Q 4.2968 8.3402 118.0274 54.8223 29.9831 175.8307 20 G 4.2011 8.4163 118.8970 44.3586 0.0000 175.4436 21 R 3.6478 6.9655 116.7702 56.6171 27.8408 176.3118 22 D 4.9744 7.1346 116.1938 51.6648 43.2646 174.8426 23 D 4.5835 8.6805 118.1108 58.4160 40.2823 179.6021 24 R 4.0360 8.0453 117.2730 59.0157 29.9318 178.4857 25 Y 4.0943 7.9925 119.3357 60.7490 38.7177 177.1067 26 C 3.8415 8.1299 116.8374 60.1310 37.6987 175.5628 27 E 4.0196 8.1614 119.9939 59.6794 29.0654 179.6850 28 S 4.0627 7.5796 111.5472 61.3200 62.5062 176.1055 29 I 3.4237 7.4560 121.4761 63.9682 37.5097 177.7320 30 M 4.0040 8.0061 120.1787 58.0895 31.7078 178.7155 31 R 3.8548 7.6346 118.5543 59.5824 30.1807 178.6265 32 R 3.9400 7.8270 116.8880 58.6967 30.0265 177.5995 33 R 4.5091 7.4774 115.3576 55.2062 30.3479 176.5544 34 G 3.8622 7.8353 106.4043 46.6661 0.0000 174.4490 35 L 4.5656 8.0679 117.7426 54.4838 41.6502 177.8545 36 T 5.0483 7.8754 105.0597 60.1577 70.3234 174.7837 37 S 4.2757 8.4892 117.8873 61.5646 63.0385 174.1555 38 D 4.7986 8.0865 117.4185 54.7669 42.5214 175.8535 39 R 4.7158 7.5204 118.9154 54.3868 33.0369 175.1906 40 C 4.6334 9.0699 123.5449 56.5619 40.5994 173.6335 41 K 3.9999 8.5269 126.8252 56.2992 31.8657 175.0018 42 P 4.5306 0.0000 0.0000 65.3789 32.4681 176.2571 43 I 5.1442 7.5229 117.2244 59.6851 41.3090 173.7691 44 N 5.0641 9.2186 126.5104 52.5807 43.1316 172.8301 45 T 4.7798 8.8624 122.3407 61.7069 71.4339 173.0360 46 F 4.8265 8.9053 125.4339 56.1254 41.2586 174.9245 47 I 4.5785 8.7672 124.0781 60.2331 39.2358 174.5912 48 H 5.7362 8.5041 122.3817 53.7468 31.9846 173.5807 49 G 4.0876 8.8174 104.1381 44.4679 0.0000 172.5102 50 N 5.1710 8.8364 117.1873 51.4963 39.3672 176.2430 51 K 3.7332 8.9703 122.4534 60.5455 31.9645 180.4431 52 R 4.0312 8.0185 120.2114 61.4382 29.1346 181.2090 53 S 4.5392 7.7928 113.0875 61.5410 63.1356 176.6058 54 I 3.8826 7.7387 122.5663 64.2114 37.1043 178.3575 55 K 4.0629 8.3432 119.0457 59.3064 32.1617 178.5677 56 A 4.1902 7.8971 121.5175 54.1073 17.9388 179.1931 57 I 3.8733 7.7020 118.5394 64.0532 36.8912 177.4829 58 C 4.4820 8.0189 116.9372 57.6958 39.4994 173.0499 59 E 4.5994 7.6510 120.3353 54.5826 31.6345 176.8498 60 N 4.6882 8.6707 117.5165 54.5554 37.8391 175.7985 61 K 4.2695 7.7158 117.9657 58.2780 32.0107 183.3030 62 N 5.2275 8.1158 117.7891 52.4697 40.1777 173.7908 63 G 4.6511 8.0573 101.2925 44.8440 0.0000 172.6516 64 N 5.3035 8.9645 117.7363 50.1383 42.8709 172.4214 65 P 4.5755 0.0000 0.0000 63.8050 32.5682 175.3720 66 H 4.7417 9.1256 122.1616 54.9971 33.4217 173.2064 67 R 3.3516 8.5045 124.9460 57.3929 29.6522 179.2465 68 E 4.2674 8.8082 129.4348 57.0883 28.6314 175.2102 69 N 4.4193 8.7509 120.9884 52.9552 35.1852 172.0226 70 L 5.0624 7.5807 118.1218 54.0797 45.4308 175.5605 71 R 5.1883 8.9552 118.1216 54.6065 34.6227 174.3727 72 I 4.9754 8.5372 123.2189 58.8755 40.7180 174.9951 73 S 5.4157 8.6618 124.1611 58.1450 63.1949 174.6001 74 K 4.3107 8.8476 121.3097 58.3852 32.8449 177.4160 75 S 4.6521 8.2845 113.8794 56.6703 65.0849 172.9144 76 S 4.7294 7.9173 116.8740 57.3676 64.2878 173.6622 77 F 5.0030 9.0262 121.3171 55.5821 42.9153 174.4608 78 Q 5.0545 8.9393 120.2021 56.1216 29.8977 175.6021 79 V 4.9203 8.9402 116.2655 59.8704 36.5904 174.7685 80 T 5.0347 8.6839 118.6841 62.3591 72.2488 173.0490 81 T 4.6981 9.1952 124.2059 62.4058 70.6520 173.1819 82 C 5.3550 9.3581 124.5956 55.2297 43.5704 172.6227 83 K 5.0995 8.8692 126.0660 53.9970 34.3538 175.0697 84 L 4.1290 9.2758 130.6142 55.6751 42.6500 175.4562 85 H 4.7836 9.1682 126.1597 54.2666 32.1019 172.6151 86 G 3.8260 8.5399 110.7220 43.4074 0.0000 173.8350 87 G 3.6401 8.4427 108.4989 48.1641 0.0000 174.6707 88 S 4.3950 7.6477 114.6837 56.3994 64.3145 172.2617 89 P 4.1897 0.0000 0.0000 63.0884 31.5387 175.5560 90 W 5.1864 7.2233 118.9593 54.4049 30.7838 174.2153 91 P 4.4669 0.0000 0.0000 62.5655 31.4077 174.5215 92 P 4.5005 0.0000 0.0000 62.4090 32.1202 176.5710 93 C 4.5094 8.6065 119.4002 55.7676 42.0000 172.9734 94 Q 4.8884 8.1514 123.6916 54.4358 30.6969 174.2604 95 Y 5.2586 8.4536 119.8531 56.3317 41.7832 175.0252 96 R 4.9281 8.9636 121.9992 54.8259 32.2976 175.2868 97 A 5.1146 8.8255 125.7177 51.1890 20.8947 176.9244 98 T 4.5702 9.1378 117.5435 61.5982 71.9145 173.2573 99 A 4.7075 8.7969 129.0777 51.8343 19.7953 176.3429 100 G 4.2761 9.2676 108.2664 45.3483 0.0000 171.3874 101 F 5.5862 8.6613 122.0053 57.6530 41.4851 173.1628 102 R 4.4402 8.4264 122.4515 55.2115 33.1154 173.7865 103 N 5.2794 8.5263 116.6761 52.2971 38.6616 174.6008 104 V 4.6207 8.9151 112.3744 59.5314 36.2224 174.7910 105 V 4.7883 8.1935 121.7423 61.3920 33.9184 174.8151 106 V 5.0499 8.9628 119.9320 59.6611 36.5485 173.9638 107 A 4.9921 8.6998 123.5190 50.5697 21.4252 175.1729 108 C 5.2632 8.6787 118.2316 55.1357 42.8406 173.1575 109 E 4.5084 9.4059 123.0971 55.7699 32.2075 175.5709 110 N 4.0275 9.9074 124.4743 54.4634 36.1560 175.0207 111 G 3.8736 8.1291 102.0269 45.6828 0.0000 173.0417 112 L 4.5887 7.6034 119.5456 51.6900 44.8649 174.1833 113 P 4.6740 0.0000 0.0000 62.7381 31.6939 177.1030 114 V 4.6705 8.3060 114.1422 61.0431 33.9107 175.1351 115 H 5.0048 7.8201 120.0483 54.7782 33.4304 171.3968 116 L 5.0237 8.2983 127.0916 53.0956 43.9285 175.1172 117 D 4.5143 8.6744 126.7920 54.2375 40.7761 176.0998 118 Q 4.3629 8.8556 126.3966 57.7963 29.5894 178.6721 119 S 4.1118 8.6491 114.0893 61.3241 62.7932 176.4091 120 I 3.7620 7.5149 111.7142 61.9818 37.4173 176.0505 121 F 4.7589 7.7331 118.7614 57.6036 39.8820 176.3366 122 R 4.0325 7.7279 122.2412 56.2328 28.6443 177.4583 *123 R 4.1415 8.2817 120.2436 56.2523 30.0991 173.5443 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 *3 N 8.38 4.72 0.00 2.62 2.75 0.00 0.00 6.87 6.26 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 4 S 8.27 4.34 0.00 3.81 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 5 R 8.13 4.21 0.00 1.88 2.08 0.00 3.29 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 6 Y 7.94 4.49 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.70 4.34 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 1.22 0.00 0.00 8 H 8.21 4.18 0.00 3.50 3.51 0.00 5.79 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 9 F 8.76 4.10 0.00 3.19 3.18 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 0.00 0.00 0.00 10 L 8.03 3.83 0.00 1.80 1.64 0.72 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 11 T 7.63 3.83 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 1.17 0.00 0.00 12 Q 7.55 4.10 0.00 1.67 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 13 H 8.00 4.75 0.00 2.01 2.64 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.13 5.26 0.00 2.73 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 15 D 9.07 4.22 0.00 2.59 2.50 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 0.00 0.00 0.00 16 A 8.12 3.88 1.21 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 17 K 7.28 4.94 0.00 1.90 1.63 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 0.97 7.81 18 P 0.00 4.24 0.00 1.41 1.44 0.00 3.53 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 1.60 1.02 0.00 19 Q 8.34 4.30 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 20 G 8.42 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 21 R 6.97 3.65 0.00 1.80 1.92 0.00 2.82 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.87 0.00 22 D 7.13 4.97 0.00 2.99 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 23 D 8.68 4.58 0.00 2.82 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 24 R 8.05 4.04 0.00 2.14 2.01 0.00 3.24 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.26 0.00 25 Y 7.99 4.09 0.00 3.13 3.21 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 26 C 8.13 3.84 0.00 3.24 3.03 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 0.00 0.00 0.00 27 E 8.16 4.02 0.00 2.06 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 2.58 2.67 0.00 28 S 7.58 4.06 0.00 3.88 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 29 I 7.46 3.42 1.01 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.73 -0.13 0.00 0.00 30 M 8.01 4.00 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.37 0.00 31 R 7.63 3.85 0.00 2.09 2.01 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 32 R 7.83 3.94 0.00 1.92 1.86 0.00 3.20 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 33 R 7.48 4.51 0.00 1.83 1.93 0.00 3.71 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 34 G 7.84 3.86 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 0.00 0.00 0.00 35 L 8.07 4.57 0.00 1.86 1.65 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.88 5.05 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 1.40 0.00 0.00 37 S 8.49 4.28 0.00 4.03 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 38 D 8.09 4.80 0.00 2.73 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 39 R 7.52 4.72 0.00 2.00 1.72 0.00 3.29 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.00 40 C 9.07 4.63 0.00 2.80 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 41 K 8.53 4.00 0.00 1.81 1.84 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 42 P 0.00 4.53 0.00 2.12 2.06 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 43 I 7.52 5.14 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.93 0.00 0.00 44 N 9.22 5.06 0.00 2.64 2.25 0.00 0.00 6.82 7.42 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 45 T 8.86 4.78 3.85 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 0.26 0.00 0.00 46 F 8.91 4.83 0.00 3.06 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 47 I 8.77 4.58 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.83 0.00 0.00 48 H 8.50 5.74 0.00 3.08 3.16 0.00 5.58 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.82 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 0.00 0.00 0.00 50 N 8.84 5.17 0.00 3.02 3.07 0.00 0.00 5.98 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 51 K 8.97 3.73 0.00 1.81 1.89 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.08 0.68 7.81 52 R 8.02 4.03 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 53 S 7.79 4.54 0.00 4.31 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 0.00 54 I 7.74 3.88 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.97 0.00 0.00 55 K 8.34 4.06 0.00 1.89 2.04 0.00 1.26 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.45 7.81 56 A 7.90 4.19 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.87 1.91 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 1.75 1.43 0.95 0.00 0.00 58 C 8.02 4.48 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 59 E 7.65 4.60 0.00 2.11 2.05 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 2.24 2.25 0.00 60 N 8.67 4.69 0.00 2.77 2.77 0.00 0.00 6.53 7.44 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 61 K 7.72 4.27 0.00 1.80 1.76 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.25 7.81 62 N 8.12 5.23 0.00 2.82 2.82 0.00 0.00 6.92 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 63 G 8.06 4.65 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 0.00 0.00 0.00 64 N 8.96 5.30 0.00 2.65 2.67 0.00 0.00 7.26 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 65 P 0.00 4.58 0.00 1.93 2.00 0.00 3.65 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 2.03 2.10 0.00 66 H 9.13 4.74 0.00 3.20 3.09 0.00 5.92 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 67 R 8.50 3.35 0.00 1.84 1.13 0.00 3.31 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.40 0.00 68 E 8.81 4.27 0.00 2.04 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 0.00 2.17 2.26 0.00 69 N 8.75 4.42 0.00 2.96 2.89 0.00 0.00 6.79 7.79 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 70 L 7.58 5.06 0.00 1.86 1.64 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.96 5.19 0.00 1.66 1.73 0.00 3.04 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 72 I 8.54 4.98 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.57 0.96 0.00 0.00 73 S 8.66 5.42 0.00 4.17 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 74 K 8.85 4.31 0.00 1.82 1.91 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.44 7.81 75 S 8.28 4.65 0.00 3.81 3.97 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 76 S 7.92 4.73 0.00 2.72 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 77 F 9.03 5.00 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.94 5.05 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 79 V 8.94 4.92 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 0.78 0.00 0.00 0.95 0.00 0.00 80 T 8.68 5.03 4.57 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 1.42 0.00 0.00 81 T 9.20 4.70 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 1.22 0.00 0.00 82 C 9.36 5.36 0.00 2.71 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 83 K 8.87 5.10 0.00 1.98 1.72 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.21 7.81 84 L 9.28 4.13 0.00 1.69 1.58 0.39 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 85 H 9.17 4.78 0.00 3.08 3.10 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.54 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 87 G 8.44 3.64 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 0.00 0.00 0.00 88 S 7.65 4.39 0.00 4.09 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 89 P 0.00 4.19 0.00 1.32 1.86 0.00 3.25 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.35 0.00 90 W 7.22 5.19 0.00 3.32 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 91 P 0.00 4.47 0.00 2.12 2.07 0.00 3.97 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 92 P 0.00 4.50 0.00 2.05 1.99 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 93 C 8.61 4.51 0.00 3.02 2.70 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 0.00 0.00 0.00 94 Q 8.15 4.89 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 95 Y 8.45 5.26 0.00 2.84 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 96 R 8.96 4.93 0.00 1.92 1.86 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 97 A 8.83 5.11 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 98 T 9.14 4.57 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 1.27 0.00 0.00 99 A 8.80 4.71 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 0.00 100 G 9.27 4.28 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 0.00 0.00 0.00 101 F 8.66 5.59 0.00 2.94 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 0.00 102 R 8.43 4.44 0.00 1.89 2.02 0.00 2.82 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 103 N 8.53 5.28 0.00 2.89 2.95 0.00 0.00 6.19 7.68 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 0.00 104 V 8.92 4.62 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 0.82 0.00 0.00 0.73 0.00 0.00 105 V 8.19 4.79 1.98 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 1.04 0.00 0.00 0.72 0.00 0.00 106 V 8.96 5.05 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 0.68 0.00 0.00 0.85 0.00 0.00 107 A 8.70 4.99 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 0.00 108 C 8.68 5.26 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 0.00 109 E 9.41 4.51 0.00 1.81 1.71 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 2.17 2.22 0.00 110 N 9.91 4.03 0.00 2.79 2.76 0.00 0.00 7.13 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 0.00 111 G 8.13 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 0.00 112 L 7.60 4.59 0.00 1.45 1.04 0.60 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.67 0.00 0.92 1.45 0.00 3.50 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 114 V 8.31 4.67 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 0.72 0.00 0.00 0.96 0.00 0.00 115 H 7.82 5.00 0.00 3.26 3.11 0.00 5.82 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 0.00 116 L 8.30 5.02 0.00 1.63 1.19 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.67 4.51 0.00 2.75 2.57 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 0.00 118 Q 8.86 4.36 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 119 S 8.65 4.11 0.00 3.97 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 0.00 120 I 7.51 3.76 1.50 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.36 0.75 0.00 0.00 121 F 7.73 4.76 0.00 3.17 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 0.00 122 R 7.73 4.03 0.00 1.93 1.95 0.00 3.21 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 *123 R 8.28 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.