NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3695 8.2493 123.5832 52.4507 20.0258 176.2497 2 T 4.6055 8.4150 110.6169 60.8417 71.5478 172.0378 3 K 5.3236 8.4046 123.1769 54.7739 36.9505 176.1580 4 A 5.4110 9.0744 124.0763 50.8303 23.4835 175.1061 5 V 4.9767 8.8779 117.5632 60.7442 35.6323 173.6229 6 C 4.9661 8.9993 121.7651 58.0339 35.4242 172.6055 7 V 4.6078 8.4565 126.2325 61.5653 33.0448 174.2348 8 L 4.8931 8.7946 129.1705 53.9875 43.0133 176.2040 9 K 4.8468 9.1903 122.3377 55.4657 36.0441 176.2877 10 G 4.2270 7.9357 108.2221 45.3244 0.0000 172.7752 11 D 4.3380 8.7855 117.9622 55.5466 41.7340 176.7292 12 G 4.3861 7.1143 109.6256 44.1349 0.0000 171.3955 13 P 4.4422 0.0000 0.0000 63.6643 32.1766 176.4389 14 V 4.1657 7.5468 120.6136 63.0482 32.0867 174.9087 15 Q 4.7944 8.5190 124.7123 55.2921 32.6008 173.6090 16 G 4.1648 7.9672 106.1853 46.4762 0.0000 171.7925 17 I 5.1397 7.9306 119.5225 59.5403 41.2493 175.0543 18 I 4.7168 8.6671 127.1025 59.4550 40.5823 174.3742 19 N 5.0590 8.4232 123.7866 51.2988 41.5723 173.7789 20 F 5.3743 8.8176 119.4021 55.9123 43.4965 173.7355 21 E 5.3343 9.5525 122.3434 54.9558 33.5546 173.7819 22 Q 4.8658 9.3949 127.6139 54.4217 30.8962 174.8344 23 K 4.2168 9.0680 127.2171 58.7424 32.7224 177.6426 24 E 4.8156 7.8103 116.6869 53.9626 33.0527 176.8019 25 S 4.3519 8.8898 116.8061 60.6703 63.0563 174.8034 26 N 4.8196 8.2112 116.0850 52.2792 37.3097 174.2963 27 G 4.0394 8.0022 108.7678 43.5566 0.0000 171.9918 28 P 4.6299 0.0000 0.0000 62.5585 32.3761 176.2669 29 V 4.6021 8.8320 122.3811 61.3952 33.6135 174.8320 30 K 4.8824 9.3385 128.3595 55.8394 33.9255 175.9597 31 V 4.8687 9.3844 124.8877 60.8080 34.2351 174.2369 32 W 5.4891 8.7341 124.2526 54.5450 31.9168 175.5864 33 G 3.9051 7.7351 107.2148 46.3814 0.0000 170.9045 34 S 5.0946 7.7419 114.2738 56.8568 66.6551 174.3145 35 I 5.1183 8.7548 126.0085 59.3401 40.8348 174.6897 36 K 4.7768 9.3074 125.3726 55.5962 36.1895 176.9026 37 G 3.7040 8.8432 106.3580 45.7473 0.0000 173.4930 38 L 4.4590 7.6100 119.8172 53.0802 43.0547 176.4554 39 T 4.2548 8.1271 110.9833 60.9991 69.6078 174.1816 40 E 4.1546 8.5552 124.8588 57.3119 30.5628 175.0730 41 G 3.7996 8.3617 110.6913 44.0069 0.0000 172.2880 42 L 4.8402 8.2196 119.1525 54.6683 43.0170 176.5080 43 H 4.9657 9.1232 119.2337 53.7213 32.9055 173.3212 44 G 3.9938 9.0401 111.1238 46.7492 0.0000 172.4065 45 F 5.4884 9.2428 124.7063 56.7867 42.1636 172.9844 46 H 5.4656 8.9691 122.8590 53.8673 33.3548 172.8133 47 V 4.4450 8.8363 121.8225 62.4134 32.9092 174.8742 48 H 5.1744 9.3261 125.1484 54.1091 31.0796 175.5924 49 E 3.5519 8.9410 122.3600 58.7649 29.8830 177.0947 50 F 4.9341 8.2757 118.3116 54.7937 41.6924 176.8488 51 G 4.5415 8.3657 112.4514 44.5732 0.0000 174.2326 52 D 4.7451 7.9200 117.7852 52.6665 42.6300 174.1600 53 N 5.0934 8.5670 125.0185 53.5310 39.1896 175.8077 54 T 3.9797 8.4314 109.6815 63.2873 69.6181 174.5011 55 A 4.6829 8.1965 124.9368 51.3958 19.4993 176.0536 56 G 3.7596 7.7082 116.6350 46.6238 0.0000 173.0991 57 C 4.3690 8.4598 119.1975 61.0516 29.0407 175.6126 58 T 4.0476 8.0395 118.1416 66.2485 67.8325 176.0904 59 S 4.4591 7.9306 112.6736 59.3841 63.5520 175.4423 60 A 4.5858 7.2679 125.9112 54.7075 18.2617 178.6386 61 G 4.0504 8.2297 105.2617 44.6933 0.0000 171.2363 62 P 4.6880 0.0000 0.0000 62.0626 33.4313 175.3035 63 H 3.8609 8.7556 119.5790 56.7675 30.2562 174.1688 64 F 4.3927 9.1245 128.8169 58.4984 40.2698 174.1425 65 N 4.4911 8.5695 122.8011 51.6998 39.6276 171.4329 66 P 4.0215 0.0000 0.0000 64.8239 31.8417 176.8245 *79 R 4.0943 7.6111 112.1815 55.4808 30.6252 175.3037 80 R 4.1704 7.9718 117.8387 55.8243 30.9116 177.9420 81 V 3.4171 8.5564 122.6378 66.1464 31.5735 177.5707 82 G 3.7272 8.2311 106.6400 46.4421 0.0000 172.5466 83 D 4.8951 7.9112 120.3761 53.9114 40.1118 175.1198 84 L 4.6963 8.6471 127.0959 54.4106 42.9519 179.2455 85 G 4.0306 8.6641 106.8858 46.0182 0.0000 172.8185 86 N 5.6343 8.6145 119.3478 51.6172 42.0265 174.7388 87 V 4.2082 8.6644 115.6790 60.4683 34.5062 175.0048 88 T 5.0124 8.2183 118.3899 61.8704 71.3344 172.9421 89 A 4.8583 8.8962 129.3586 50.6524 21.1058 177.2092 90 D 5.0255 8.7903 122.2321 52.1267 41.4690 177.1358 91 K 4.0439 8.5545 117.3572 59.7012 31.9520 177.6827 92 D 4.5144 8.2645 116.0590 54.2079 41.3003 176.9212 93 G 4.0575 8.6010 108.5606 44.6059 0.0000 172.5524 94 V 4.8282 8.2829 119.8278 60.6814 33.9059 174.2492 95 A 5.3434 9.1156 129.8050 49.5330 21.2169 174.7234 96 D 4.9902 8.6775 123.0856 53.3805 42.3678 176.1429 97 V 4.2396 8.8535 124.2903 61.1872 33.8740 174.6986 98 S 4.9722 8.6061 122.6087 57.3755 64.0663 172.5714 99 I 4.8677 9.4582 127.6582 59.2470 41.5887 174.1430 100 E 5.1759 8.8110 124.4974 54.5627 32.4815 174.3089 101 D 4.9173 9.4271 126.3057 52.3204 44.6021 175.6367 102 S 4.8001 8.8568 119.1666 58.1055 63.5956 174.3165 103 V 4.2147 8.3108 121.8298 64.6864 32.8386 176.5347 104 I 4.0458 7.8474 110.9451 60.9634 38.3174 174.4171 105 S 4.7031 8.6299 114.9739 57.2784 65.6061 174.0104 106 L 4.4056 8.9206 121.7789 54.0452 41.4644 176.2706 107 S 4.4370 7.9329 112.8810 58.2574 66.3960 175.5172 108 G 3.8879 8.4793 108.1583 45.2428 0.0000 173.7328 109 D 4.3947 8.8505 117.5627 57.4526 41.1867 176.9489 110 H 5.0722 8.0255 114.2276 55.4940 29.0344 173.8683 111 C 4.5121 8.0894 121.1954 59.8347 31.7518 173.4888 112 I 3.9434 8.1632 119.0757 60.2996 38.1558 175.6173 113 I 3.7099 7.3292 123.0658 63.0398 37.4019 176.3308 114 G 3.8375 9.2556 113.9047 45.1977 0.0000 172.9887 115 R 4.8422 7.4857 119.1540 54.8610 33.7839 174.4671 116 T 4.9862 7.9878 115.5749 62.1288 71.5375 173.5149 117 L 4.6782 8.5909 129.0509 54.3497 43.7954 175.4496 118 V 4.9735 8.9252 126.2375 60.9722 34.9947 174.1613 119 V 5.0719 8.6025 127.0843 60.5324 33.5531 175.0265 120 H 5.1667 8.9710 122.2301 54.2018 30.3682 174.9690 121 E 4.2238 9.2431 121.7251 58.8344 30.1759 176.3633 122 K 4.8074 8.7065 117.2975 53.7516 36.9312 175.7370 123 A 4.4941 8.4152 122.1592 52.3818 19.7295 176.2330 124 D 4.6576 9.1363 121.0970 53.6549 41.1998 175.8159 125 D 4.5617 9.4460 127.2825 55.9406 41.8881 177.4570 *139 N 4.5468 7.8603 114.4046 52.5808 38.6573 174.7516 140 A 4.5510 7.5584 120.2525 52.5939 19.6663 179.7384 141 G 3.7486 7.9445 103.9308 45.1606 0.0000 173.5210 142 S 4.4327 8.2975 115.1044 58.3616 64.9346 174.2683 143 R 4.4398 8.3022 119.9951 55.2216 29.8065 176.5247 144 L 4.2931 8.9329 125.9101 57.5181 43.0340 177.1307 145 A 4.9106 7.7430 117.6128 51.5478 22.6691 174.8153 146 C 5.3951 8.4633 113.6517 58.7155 33.7501 172.8577 147 G 4.7355 8.1213 104.2001 45.6619 0.0000 172.5259 148 V 4.4040 8.2605 122.3027 62.4067 32.6490 175.5601 149 I 4.1081 8.8722 129.7253 61.0980 37.9291 175.3288 150 G 4.4330 9.0500 114.9035 43.8822 0.0000 172.4461 151 I 4.3297 8.3506 121.9917 61.3815 37.4800 175.4710 152 A 4.8199 8.4028 128.4395 49.6390 21.9145 176.2325 153 Q 4.0705 8.5269 119.0857 56.4338 29.1963 176.1044 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 8.25 4.37 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 2 T 8.42 4.61 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 1.24 0.00 0.00 3 K 8.40 5.32 0.00 1.90 1.76 0.00 1.70 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 A 9.07 5.41 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 5 V 8.88 4.98 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 0.77 0.00 0.00 0.97 0.00 0.00 6 C 9.00 4.97 0.00 3.17 2.91 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 7 V 8.46 4.61 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.79 4.89 0.00 1.73 1.59 1.03 0.79 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 9 K 9.19 4.85 0.00 1.64 1.62 0.00 1.66 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 1.34 1.38 7.81 10 G 7.94 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 11 D 8.79 4.34 0.00 2.68 2.73 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 12 G 7.11 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 13 P 0.00 4.44 0.00 2.18 2.17 0.00 3.76 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 2.09 1.94 0.00 14 V 7.55 4.17 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 0.84 0.00 0.00 0.93 0.00 0.00 15 Q 8.52 4.79 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 16 G 7.97 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 0.00 0.00 0.00 17 I 7.93 5.14 1.82 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 1.20 1.17 0.82 0.00 0.00 18 I 8.67 4.72 1.81 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 1.25 1.49 0.40 0.00 0.00 19 N 8.42 5.06 0.00 1.44 1.42 0.00 0.00 6.46 8.67 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 20 F 8.82 5.37 0.00 2.82 2.91 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 21 E 9.55 5.33 0.00 2.50 2.07 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 2.33 2.56 0.00 22 Q 9.39 4.87 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 23 K 9.07 4.22 0.00 1.81 1.88 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 24 E 7.81 4.82 0.00 1.99 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 2.29 2.27 0.00 25 S 8.89 4.35 0.00 3.98 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 0.00 26 N 8.21 4.82 0.00 2.83 2.92 0.00 0.00 5.92 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 27 G 8.00 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 0.00 0.00 0.00 28 P 0.00 4.63 0.00 2.00 2.04 0.00 3.68 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 2.05 2.11 0.00 29 V 8.83 4.60 2.23 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 1.37 0.00 0.00 1.09 0.00 0.00 30 K 9.34 4.88 0.00 1.93 1.90 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.44 7.81 31 V 9.38 4.87 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 0.54 0.00 0.00 1.16 0.00 0.00 32 W 8.73 5.49 0.00 3.48 3.16 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 33 G 7.74 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 34 S 7.74 5.09 0.00 3.89 3.62 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 35 I 8.75 5.12 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.90 0.00 0.00 36 K 9.31 4.78 0.00 1.71 1.87 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.42 1.33 7.81 37 G 8.84 3.70 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 0.00 0.00 0.00 38 L 7.61 4.46 0.00 1.81 1.45 0.79 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.13 4.25 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 1.24 0.00 0.00 40 E 8.56 4.15 0.00 1.95 1.91 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 2.29 2.43 0.00 41 G 8.36 3.80 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 0.00 0.00 0.00 42 L 8.22 4.84 0.00 1.51 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.12 4.97 0.00 3.01 3.29 0.00 5.63 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 44 G 9.04 3.99 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 0.00 0.00 0.00 45 F 9.24 5.49 0.00 3.01 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 46 H 8.97 5.47 0.00 3.15 2.81 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.84 4.44 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 0.88 0.00 0.00 0.86 0.00 0.00 48 H 9.33 5.17 0.00 3.03 3.39 0.00 5.68 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 49 E 8.94 3.55 0.00 1.66 1.12 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 1.47 1.91 0.00 50 F 8.28 4.93 0.00 3.16 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 51 G 8.37 4.54 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 0.00 0.00 0.00 52 D 7.92 4.75 0.00 2.62 2.81 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 53 N 8.57 5.09 0.00 2.70 2.74 0.00 0.00 7.26 7.70 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 54 T 8.43 3.98 4.22 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 1.23 0.00 0.00 55 A 8.20 4.68 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 56 G 7.71 3.76 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 0.00 0.00 0.00 57 C 8.46 4.37 0.00 2.97 2.91 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 58 T 8.04 4.05 4.41 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 1.23 0.00 0.00 59 S 7.93 4.46 0.00 4.15 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 60 A 7.27 4.59 1.44 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 0.00 0.00 0.00 61 G 8.23 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 62 P 0.00 4.69 0.00 2.15 2.26 0.00 3.80 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 2.17 2.03 0.00 63 H 8.76 3.86 0.00 3.08 3.17 0.00 5.75 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 64 F 9.12 4.39 0.00 2.80 2.94 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 65 N 8.57 4.49 0.00 2.47 2.50 0.00 0.00 7.19 7.69 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 66 P 0.00 4.02 0.00 1.94 2.09 0.00 3.09 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 1.74 1.73 0.00 *79 R 7.61 4.09 0.00 1.92 1.96 0.00 3.04 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 80 R 7.97 4.17 0.00 1.66 1.69 0.00 2.51 0.00 0.00 2.93 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 81 V 8.56 3.42 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 0.51 0.00 0.00 0.49 0.00 0.00 82 G 8.23 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 83 D 7.91 4.90 0.00 2.68 2.75 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 84 L 8.65 4.70 0.00 1.92 1.86 0.79 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.66 4.03 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 0.00 0.00 0.00 86 N 8.61 5.63 0.00 2.60 2.71 0.00 0.00 6.70 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 87 V 8.66 4.21 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 -0.20 0.00 0.00 0.80 0.00 0.00 88 T 8.22 5.01 4.22 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 1.20 0.00 0.00 89 A 8.90 4.86 1.27 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 0.00 0.00 0.00 90 D 8.79 5.03 0.00 2.87 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 91 K 8.55 4.04 0.00 1.76 1.92 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.81 1.47 7.81 92 D 8.26 4.51 0.00 2.81 2.69 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 93 G 8.60 4.06 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 0.00 0.00 0.00 94 V 8.28 4.83 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 0.94 0.00 0.00 0.92 0.00 0.00 95 A 9.12 5.34 1.12 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 0.00 0.00 96 D 8.68 4.99 0.00 2.55 2.61 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 97 V 8.85 4.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.60 0.00 0.00 98 S 8.61 4.97 0.00 3.90 3.74 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 99 I 9.46 4.87 2.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 1.03 0.00 0.00 100 E 8.81 5.18 0.00 1.96 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 2.22 2.32 0.00 101 D 9.43 4.92 0.00 2.79 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 0.00 102 S 8.86 4.80 0.00 4.03 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 0.00 103 V 8.31 4.21 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 7.85 4.05 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 1.03 0.00 0.00 105 S 8.63 4.70 0.00 3.89 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 0.00 106 L 8.92 4.41 0.00 1.73 1.61 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.93 4.44 0.00 3.90 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 0.00 108 G 8.48 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 0.00 0.00 0.00 109 D 8.85 4.39 0.00 2.62 2.77 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 0.00 0.00 0.00 110 H 8.03 5.07 0.00 3.22 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.09 4.51 0.00 3.14 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 0.00 112 I 8.16 3.94 1.59 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.35 0.93 0.00 0.00 113 I 7.33 3.71 1.77 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 1.20 0.38 0.84 0.00 0.00 114 G 9.26 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 0.00 115 R 7.49 4.84 0.00 1.54 1.77 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 116 T 7.99 4.99 4.22 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 1.21 0.00 0.00 117 L 8.59 4.68 0.00 1.81 1.55 0.55 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.93 4.97 2.07 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 0.73 0.00 0.00 0.82 0.00 0.00 119 V 8.60 5.07 2.29 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 0.77 0.00 0.00 0.96 0.00 0.00 120 H 8.97 5.17 0.00 3.19 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.24 4.22 0.00 2.13 2.16 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 2.36 2.33 0.00 122 K 8.71 4.81 0.00 1.66 1.65 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.42 4.49 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 0.00 124 D 9.14 4.66 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 125 D 9.45 4.56 0.00 2.84 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 *139 N 7.86 4.55 0.00 2.86 2.96 0.00 0.00 5.98 7.26 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 0.00 140 A 7.56 4.55 1.28 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 0.00 141 G 7.94 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 0.00 0.00 0.00 142 S 8.30 4.43 0.00 3.95 4.03 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 0.00 143 R 8.30 4.44 0.00 1.66 1.81 0.00 3.22 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 144 L 8.93 4.29 0.00 1.70 1.69 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.74 4.91 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 0.00 146 C 8.46 5.40 0.00 3.01 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 0.00 147 G 8.12 4.74 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 0.00 0.00 0.00 148 V 8.26 4.40 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 0.76 0.00 0.00 0.92 0.00 0.00 149 I 8.87 4.11 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.49 0.00 0.00 150 G 9.05 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 0.00 0.00 0.00 0.00 151 I 8.35 4.33 1.86 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 1.26 0.54 0.91 0.00 0.00 152 A 8.40 4.82 1.17 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 0.00 0.00 153 Q 8.53 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.