NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4003 8.2493 123.5830 51.9301 20.1806 177.0768 2 T 4.4005 7.7230 106.3977 60.8570 70.3625 172.6214 3 S 4.1229 7.9634 118.1605 59.1500 63.5763 175.5273 4 T 4.4281 8.4009 115.5703 62.1565 69.1914 175.3075 5 K 4.2474 7.8702 121.1509 56.9337 32.6924 175.8435 6 K 4.6759 7.1758 116.1665 53.9145 35.0368 175.4649 7 L 4.3451 8.1855 119.4473 54.9312 42.2328 176.2813 8 H 4.9888 8.1369 115.0514 53.6640 31.0631 173.2999 9 K 4.4042 8.5609 121.9885 55.5687 33.1446 176.0306 10 E 4.7942 8.3367 121.6023 53.5213 32.8266 174.2474 11 P 4.4268 0.0000 0.0000 62.9321 32.1458 175.1876 12 A 4.6837 8.0299 121.4445 51.2326 22.1836 174.8029 13 T 4.7440 7.8920 108.5012 59.5931 72.1714 173.5512 14 L 4.2359 8.1472 121.0417 54.2567 42.3093 177.2938 15 I 3.8890 7.9948 122.8036 60.4686 37.7895 176.1403 16 K 3.6661 8.5735 125.5140 56.3563 32.4569 176.3239 17 A 3.8895 7.6837 128.1778 52.0995 18.8243 177.2086 18 I 3.9908 7.7873 120.9284 60.8805 38.3373 176.2412 19 D 4.7596 8.4634 123.2775 53.8368 41.5149 177.9359 20 G 3.7065 8.7231 110.2478 48.2537 0.0000 174.2466 21 D 4.7475 8.1395 117.6238 53.3272 39.9074 175.0400 22 T 4.9512 7.6866 117.1033 62.2386 70.3331 174.2091 23 V 4.3778 9.0168 126.4296 61.1112 34.4641 174.1038 24 K 5.1266 8.7912 127.7368 55.2787 33.5281 175.9529 25 L 4.9423 9.0751 123.7721 53.2308 47.0557 174.9347 26 M 4.9241 8.6705 120.2341 54.8619 33.0728 174.7263 27 Y 4.8688 9.4598 127.6351 57.0621 42.0342 175.2632 28 K 3.8982 9.6396 127.2841 57.5478 29.6110 175.7774 29 G 3.9745 8.5438 103.4089 45.5995 0.0000 172.9079 30 Q 4.5798 7.7465 119.4332 53.1626 32.3624 172.2009 31 P 4.9254 0.0000 0.0000 63.1663 32.2128 175.4786 32 M 4.7665 9.5272 123.0997 54.3115 36.3059 173.5409 33 T 4.6941 8.3663 121.9976 62.5731 70.4421 173.5716 34 F 5.1040 9.4755 125.6197 55.6748 42.1373 174.5808 35 R 4.9800 9.0339 123.0227 54.2026 32.0744 175.1789 36 L 4.2860 8.6626 127.4650 54.9268 42.0198 177.4225 37 L 3.9252 8.6060 124.2454 55.6460 42.8783 177.8953 38 L 4.5706 8.8992 119.9430 55.5313 39.0846 174.0126 39 V 5.0327 7.3678 110.4442 59.9923 36.1831 175.2724 40 D 4.8699 9.0513 122.2254 53.3277 43.4431 174.7247 41 T 4.8040 9.0233 116.7351 59.5996 70.1711 173.0147 42 P 4.6132 0.0000 0.0000 62.4641 32.3381 176.0868 43 E 4.2228 8.5551 119.5877 56.3917 30.8565 177.1617 *50 F 4.4619 8.5359 121.7297 58.4010 40.9541 175.4738 51 N 4.5909 8.3996 114.6931 53.7935 38.8704 174.4984 52 E 4.5628 7.8591 118.8363 53.6457 31.9934 175.2410 53 K 3.8101 8.1355 121.1843 58.0945 32.6049 177.0574 54 Y 3.9162 7.4284 119.6042 58.7382 36.8092 171.9374 55 G 3.5365 7.9789 107.3051 47.4947 0.0000 174.2102 56 P 3.9959 0.0000 0.0000 64.8147 31.1193 178.6543 57 E 3.9959 8.0504 117.0288 59.2128 29.4546 178.9846 58 A 4.0846 8.3627 121.1395 55.2790 18.4554 179.8199 59 S 4.1680 8.3484 113.4342 61.8836 62.8985 176.9253 60 A 4.0760 8.4408 123.6420 54.9589 18.0978 179.5078 61 F 3.9758 8.5234 119.3286 61.4070 39.4289 177.3272 62 R 3.9088 8.3482 118.4138 59.3495 29.8321 178.3392 63 K 3.8950 8.2501 119.4637 59.2520 32.2131 178.7066 64 K 3.8433 8.2490 120.1113 59.6972 31.9444 178.5207 65 M 3.8152 7.4319 117.4197 58.4537 32.0646 178.7730 66 V 3.6907 7.8899 118.2500 66.1749 31.5967 177.9404 67 E 4.0400 8.3519 116.8539 58.5773 29.4215 178.0519 68 N 4.5889 7.8216 114.3017 52.6675 39.3904 175.3173 69 A 4.3295 7.0640 124.6038 51.9010 19.1657 177.9997 70 K 4.1060 8.9997 122.5995 58.6065 32.5081 177.7526 71 K 4.5632 8.9726 120.7275 54.6954 35.0732 175.0592 72 I 4.9772 8.5028 128.0060 59.8989 39.2104 174.8867 73 E 4.8665 9.1085 124.3739 54.5726 34.0931 174.6342 74 V 4.5366 8.3133 120.6098 61.1365 34.6564 174.8678 75 E 4.5346 8.7337 127.7564 54.6676 32.1094 174.4978 76 F 4.3980 8.7297 125.6075 57.5792 40.1348 175.4956 77 D 5.0201 8.3921 120.3752 53.3086 43.2516 175.8253 78 K 4.3495 8.6978 116.9813 57.8159 33.1838 178.3870 79 G 4.1736 8.0478 110.2273 44.3254 0.0000 173.4992 80 Q 3.9443 8.7737 124.2244 57.0222 29.5058 177.3861 81 R 4.3888 8.6285 123.4770 57.7681 30.9887 176.4672 82 T 5.0252 7.4270 105.8327 59.5729 71.8423 173.4203 83 D 4.6660 8.5143 123.4964 51.9740 41.3176 177.0286 84 K 3.6171 8.3020 117.4970 59.5202 31.8091 177.5282 85 Y 4.3865 7.8047 113.7208 57.4135 38.0253 175.9438 86 G 3.8764 8.1492 107.8425 46.0494 0.0000 173.7702 87 R 4.3999 8.6958 119.6391 54.7299 31.8925 176.3283 88 G 3.8493 8.6347 111.6881 46.3740 0.0000 172.4673 89 L 5.2782 9.0421 126.1529 53.5287 42.2957 175.7448 90 A 4.5465 8.3683 125.0927 50.3922 23.5293 173.9613 91 Y 4.9813 8.6502 117.0840 56.2725 40.0352 175.0693 92 I 4.9541 8.0910 123.4108 59.6588 40.7719 173.9506 93 Y 5.1698 9.3167 123.4925 56.0562 41.5187 174.5419 94 A 4.9169 9.1986 124.8334 50.3541 21.5987 176.4227 95 D 4.2831 9.7460 125.7810 55.7484 38.9322 175.3548 96 G 3.9650 8.1580 104.4924 45.5137 0.0000 172.8958 97 K 4.5186 7.9549 120.4194 54.7343 33.9098 175.1939 98 M 4.1131 8.4203 123.4240 54.7086 33.2408 176.9863 99 V 3.6297 8.6400 127.0622 66.0481 31.2234 177.7670 100 N 4.3159 7.9585 115.7366 56.3763 38.4572 176.7875 101 E 3.9319 8.0722 119.8225 59.2475 29.8428 178.5052 102 A 4.0692 8.1490 120.8023 55.1934 18.4051 179.5329 103 L 3.6956 8.3222 117.8063 57.8701 41.5964 180.0421 104 V 3.8471 7.5619 119.5443 65.4813 31.2962 178.0798 105 R 4.0393 8.1628 117.8005 59.3363 29.9852 177.7234 106 Q 4.1579 7.8849 115.4244 55.4464 29.1476 176.1241 107 G 3.8449 8.1591 108.9132 46.7928 0.0000 174.7468 108 L 4.5617 7.8670 118.1913 54.2066 42.8328 176.1105 109 A 4.8809 7.5363 119.8836 50.6050 22.8483 175.4778 110 K 4.7386 8.7304 119.6106 54.6483 34.8949 176.3616 111 V 4.2784 9.4739 123.5289 63.3948 32.3285 175.0093 112 A 4.1198 9.0235 127.3491 51.1086 23.2700 175.0240 113 Y 3.2869 7.3367 113.7636 58.9714 35.1921 172.9408 114 V 3.9465 7.0930 118.7654 61.8954 31.6131 173.9609 115 Y 4.9516 7.8365 124.7336 55.4863 40.7077 175.2332 116 K 4.1725 8.6350 122.7177 57.6817 32.6463 176.4691 117 G 4.2228 9.1475 114.7960 45.5778 0.0000 173.2059 118 N 5.3429 8.0647 117.1892 53.1205 39.2926 174.1909 119 N 5.2620 7.9581 111.1855 52.8406 38.4713 176.6727 120 T 3.8478 8.8789 118.3930 67.8094 68.8363 175.2103 121 H 4.8376 8.0724 116.3098 55.7113 29.1692 176.4388 122 E 3.9452 8.2340 122.4619 59.9966 29.2413 179.0681 123 Q 3.9729 8.0467 117.2277 58.6643 28.8773 178.2033 124 L 3.9210 7.9452 121.0192 58.3383 42.1204 179.0073 125 L 4.0681 7.9342 118.7041 57.7689 41.5674 179.6713 126 R 3.9569 8.3704 118.4596 58.8240 30.0576 178.9350 127 K 3.8633 8.3455 119.6691 59.4730 32.1319 178.7214 128 A 3.9955 7.9291 120.8910 55.0536 18.1848 179.2722 129 E 3.8799 8.2733 117.6689 59.3873 29.6758 178.8859 130 A 3.7295 8.0375 120.8906 55.0423 18.3596 179.4633 131 Q 3.8017 7.9763 117.5638 59.1260 29.1449 178.0177 132 A 4.0083 8.1373 122.0452 55.1013 18.3604 179.5911 133 K 3.3936 7.8880 118.2909 59.2229 31.9224 178.9681 134 K 3.8345 7.9921 119.3227 59.0079 32.1003 177.5583 135 E 4.3724 7.9374 116.0878 54.7436 29.9508 175.9660 136 K 4.0458 7.9454 117.5088 57.1889 30.6779 175.2431 137 L 4.2457 8.1627 118.1062 55.3945 44.2171 177.8531 138 N 3.5957 9.3259 121.0935 53.9464 37.4657 176.6944 139 I 2.9895 5.4200 127.9699 64.2035 37.5944 176.7313 140 W 4.8748 7.6440 118.2809 56.4125 29.3791 176.4402 141 S 4.4136 7.9245 119.4941 58.5588 62.5568 173.9654 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 4.40 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 2 T 7.72 4.40 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 3 S 7.96 4.12 0.00 3.88 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 4 T 8.40 4.43 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 1.20 0.00 0.00 5 K 7.87 4.25 0.00 1.79 1.90 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.40 7.81 6 K 7.18 4.68 0.00 1.76 1.73 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.37 7.81 7 L 8.19 4.35 0.00 1.62 1.56 0.90 0.94 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 8 H 8.14 4.99 0.00 3.19 3.20 0.00 5.52 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 9 K 8.56 4.40 0.00 1.78 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 10 E 8.34 4.79 0.00 1.91 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 2.25 2.29 0.00 11 P 0.00 4.43 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 12 A 8.03 4.68 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 13 T 7.89 4.74 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 1.21 0.00 0.00 14 L 8.15 4.24 0.00 1.63 1.60 0.91 0.81 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 15 I 7.99 3.89 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 1.27 0.44 0.86 0.00 0.00 16 K 8.57 3.67 0.00 1.66 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.40 7.81 17 A 7.68 3.89 0.27 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 18 I 7.79 3.99 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.92 0.00 0.00 19 D 8.46 4.76 0.00 2.74 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 20 G 8.72 3.71 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 0.00 0.00 0.00 21 D 8.14 4.75 0.00 2.95 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 22 T 7.69 4.95 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 1.23 0.00 0.00 23 V 9.02 4.38 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 0.91 0.00 0.00 0.95 0.00 0.00 24 K 8.79 5.13 0.00 1.71 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 25 L 9.08 4.94 0.00 1.77 1.61 0.61 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.67 4.92 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 27 Y 9.46 4.87 0.00 3.12 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 28 K 9.64 3.90 0.00 1.44 1.57 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.46 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.93 0.21 7.81 29 G 8.54 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 0.00 0.00 0.00 30 Q 7.75 4.58 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 31 P 0.00 4.93 0.00 2.00 2.01 0.00 3.72 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 32 M 9.53 4.77 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.74 0.00 33 T 8.37 4.69 4.18 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 1.21 0.00 0.00 34 F 9.48 5.10 0.00 3.07 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 35 R 9.03 4.98 0.00 1.87 1.78 0.00 3.40 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 36 L 8.66 4.29 0.00 1.59 1.78 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.61 3.93 0.00 0.90 1.26 0.07 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.90 4.57 0.00 2.04 1.90 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.37 5.03 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 0.99 0.00 0.00 40 D 9.05 4.87 0.00 2.80 2.49 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 0.00 0.00 0.00 0.00 41 T 9.02 4.80 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 1.30 0.00 0.00 42 P 0.00 4.61 0.00 2.02 2.02 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 43 E 8.56 4.22 0.00 2.11 2.10 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 2.37 2.32 0.00 *50 F 8.54 4.46 0.00 3.17 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 51 N 8.40 4.59 0.00 2.99 2.86 0.00 0.00 6.93 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 52 E 7.86 4.56 0.00 2.04 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 2.22 2.34 0.00 53 K 8.14 3.81 0.00 1.51 1.52 0.00 1.66 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.95 7.81 54 Y 7.43 3.92 0.00 3.16 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 55 G 7.98 3.54 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 56 P 0.00 4.00 0.00 1.91 1.63 0.00 3.29 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 1.62 0.86 0.00 57 E 8.05 4.00 0.00 2.29 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 2.48 2.47 0.00 58 A 8.36 4.08 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 59 S 8.35 4.17 0.00 4.33 4.10 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 60 A 8.44 4.08 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 61 F 8.52 3.98 0.00 3.20 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 62 R 8.35 3.91 0.00 2.05 2.11 0.00 3.33 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 63 K 8.25 3.90 0.00 1.99 2.01 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.57 7.81 64 K 8.25 3.84 0.00 1.86 1.78 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.41 7.81 65 M 7.43 3.82 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.38 0.00 66 V 7.89 3.69 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 1.02 0.00 0.00 0.95 0.00 0.00 67 E 8.35 4.04 0.00 2.02 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 0.00 2.34 2.45 0.00 68 N 7.82 4.59 0.00 2.74 2.82 0.00 0.00 6.95 7.34 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 69 A 7.06 4.33 1.35 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 0.00 0.00 0.00 70 K 9.00 4.11 0.00 2.10 1.88 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.37 7.81 71 K 8.97 4.56 0.00 1.74 1.73 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 I 8.50 4.98 1.87 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 1.33 0.73 0.86 0.00 0.00 73 E 9.11 4.87 0.00 1.90 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 2.21 2.23 0.00 74 V 8.31 4.54 1.88 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 0.14 0.00 0.00 0.13 0.00 0.00 75 E 8.73 4.53 0.00 2.20 2.26 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 2.47 2.42 0.00 76 F 8.73 4.40 0.00 3.10 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 77 D 8.39 5.02 0.00 2.69 3.01 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 78 K 8.70 4.35 0.00 2.02 1.89 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.58 7.81 79 G 8.05 4.17 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 0.00 80 Q 8.77 3.94 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 81 R 8.63 4.39 0.00 1.75 1.65 0.00 2.73 0.00 0.00 2.47 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.42 0.00 82 T 7.43 5.03 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 1.15 0.00 0.00 83 D 8.51 4.67 0.00 2.87 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 84 K 8.30 3.62 0.00 0.97 1.34 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 1.25 7.81 85 Y 7.80 4.39 0.00 3.08 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 86 G 8.15 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 0.00 0.00 0.00 87 R 8.70 4.40 0.00 1.99 1.84 0.00 3.13 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 88 G 8.63 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 0.00 0.00 0.00 0.00 89 L 9.04 5.28 0.00 1.62 1.66 0.98 1.03 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 90 A 8.37 4.55 0.77 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 0.00 0.00 91 Y 8.65 4.98 0.00 3.03 2.58 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 0.00 0.00 0.00 0.00 92 I 8.09 4.95 1.74 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.79 0.00 0.00 93 Y 9.32 5.17 0.00 2.81 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 94 A 9.20 4.92 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 95 D 9.75 4.28 0.00 2.74 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 96 G 8.16 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 0.00 0.00 0.00 97 K 7.95 4.52 0.00 1.93 1.75 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.51 7.81 98 M 8.42 4.11 0.00 1.86 1.53 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.16 0.00 99 V 8.64 3.63 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 1.10 0.00 0.00 0.90 0.00 0.00 100 N 7.96 4.32 0.00 2.85 2.92 0.00 0.00 6.77 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 0.00 101 E 8.07 3.93 0.00 1.97 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 2.37 2.36 0.00 102 A 8.15 4.07 1.57 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 0.00 0.00 103 L 8.32 3.70 0.00 1.88 1.72 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.56 3.85 2.24 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 1.33 0.00 0.00 0.98 0.00 0.00 105 R 8.16 4.04 0.00 1.85 2.08 0.00 3.35 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.88 4.16 0.00 1.70 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 2.14 1.16 0.00 107 G 8.16 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 0.00 108 L 7.87 4.56 0.00 1.49 1.58 0.56 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.54 4.88 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 0.00 110 K 8.73 4.74 0.00 1.68 1.78 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.44 1.07 7.81 111 V 9.47 4.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 112 A 9.02 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.34 3.29 0.00 3.18 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 0.00 114 V 7.09 3.95 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 0.89 0.00 0.00 0.93 0.00 0.00 115 Y 7.84 4.95 0.00 3.09 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 0.00 116 K 8.64 4.17 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.61 7.81 117 G 9.15 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 0.00 0.00 0.00 0.00 118 N 8.06 5.34 0.00 2.83 2.88 0.00 0.00 6.74 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 0.00 119 N 7.96 5.26 0.00 2.87 3.02 0.00 0.00 6.11 7.22 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 0.00 120 T 8.88 3.85 4.25 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 1.06 0.00 0.00 121 H 8.07 4.84 0.00 2.92 3.08 0.00 5.64 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 0.00 122 E 8.23 3.95 0.00 2.15 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 2.33 2.39 0.00 123 Q 8.05 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.95 3.92 0.00 1.74 1.83 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.93 4.07 0.00 2.08 1.73 0.96 1.05 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 0.00 126 R 8.37 3.96 0.00 1.83 1.95 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 127 K 8.35 3.86 0.00 1.87 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 128 A 7.93 4.00 1.41 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 0.00 129 E 8.27 3.88 0.00 2.19 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 2.12 2.58 0.00 130 A 8.04 3.73 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 0.00 131 Q 7.98 3.80 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 8.14 4.01 1.57 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 0.00 0.00 133 K 7.89 3.39 0.00 0.89 1.44 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.44 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.99 0.44 7.81 134 K 7.99 3.83 0.00 1.75 1.91 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 7.94 4.37 0.00 2.06 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 2.28 2.38 0.00 136 K 7.95 4.05 0.00 1.87 1.89 0.00 1.93 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.54 7.81 137 L 8.16 4.25 0.00 1.77 1.71 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.33 3.60 0.00 2.72 1.57 0.00 0.00 7.14 7.28 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 0.00 139 I 5.42 2.99 1.02 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 0.96 -0.05 -0.33 0.00 0.00 140 W 7.64 4.87 0.00 3.36 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 0.00 141 S 7.92 4.41 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.