NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5373 8.3344 115.5620 57.5032 64.8871 172.8778 1 L 4.4646 7.9318 122.1929 53.0099 44.3943 174.0670 2 K 4.7456 9.4141 127.1164 56.0308 33.9911 176.6475 3 F 4.5048 8.8306 122.9901 55.1962 38.6267 173.5800 4 P 4.5897 0.0000 0.0000 63.2613 32.0041 177.0366 5 D 4.9916 7.8827 118.7458 54.5872 41.3474 177.2619 6 T 4.1011 8.1580 111.4244 61.8043 69.7472 175.7101 7 G 3.9491 8.3136 109.0015 45.9016 0.0000 175.2366 8 L 4.0535 7.9994 120.9194 57.3419 41.7393 178.3709 9 E 4.5460 7.9993 116.4406 57.4653 29.9782 178.5876 10 E 4.1258 7.9850 118.4940 58.0764 29.6990 177.4984 11 K 4.6475 7.6298 116.1813 54.3873 35.2280 175.6290 12 E 4.5185 8.7575 122.3004 56.7397 30.2719 176.5083 13 V 4.6622 8.6580 121.4879 59.5777 35.5643 174.3866 14 A 4.4762 8.6056 123.5312 52.2638 19.0908 178.2882 15 F 4.1713 9.7295 124.6111 61.6367 39.4157 177.9220 16 S 4.0088 8.5364 113.9682 61.5686 62.5075 176.7832 17 I 3.5869 7.4312 123.2380 64.1137 36.8466 178.4822 18 V 3.2814 7.4691 118.5007 65.7691 31.4026 177.1829 19 N 3.8266 7.6936 116.9824 56.8433 38.7371 176.2710 20 H 4.0044 8.1971 119.3344 59.0678 29.8765 176.8884 21 A 3.8254 7.8534 122.2689 55.0915 18.2116 179.2362 22 A 3.5131 7.6662 119.4139 55.3650 18.4208 180.1321 23 K 4.2501 7.8863 116.9576 59.4957 31.8489 179.7162 24 S 4.2236 7.9635 113.6422 60.3001 62.9765 175.4678 25 L 4.5660 7.3981 121.0597 54.1276 41.7297 177.0370 26 G 4.0139 7.8234 106.5599 45.2129 0.0000 174.1223 27 F 4.7132 8.1693 117.9993 57.4213 39.7884 174.9581 28 I 4.8733 9.0398 123.2697 59.7581 40.0426 174.8676 29 H 4.8070 8.8711 120.8553 54.9040 29.7843 175.2240 30 V 3.5584 7.6782 119.9768 62.6100 32.5984 176.3919 31 D 4.1225 8.0643 126.4554 53.5979 39.6541 176.5943 32 Q 4.1543 6.5484 119.1749 54.1048 31.6695 173.6789 33 W 4.6057 8.6287 125.8327 55.0081 30.6899 175.5980 34 D 4.5729 8.2541 122.5852 52.9703 43.5212 175.3683 35 Y 4.7784 8.6738 123.8484 59.6762 38.2233 177.2703 36 E 4.5953 8.8246 118.2410 56.2242 31.3575 175.3249 37 R 4.9026 7.4546 117.0386 54.9538 33.5821 174.6083 38 V 4.2309 7.9468 124.5641 60.0240 35.2871 173.3106 *40 F 5.0105 8.4819 117.4347 58.2373 40.4671 173.8331 41 D 5.7456 9.6866 123.9536 52.8012 43.8574 174.7354 42 Y 4.7690 9.1259 124.2110 55.5195 40.7502 174.4386 43 K 4.4864 8.3154 129.0837 56.1838 33.2893 175.8542 44 I 4.1770 8.9318 129.3967 59.5996 39.3932 174.7247 45 V 4.5604 8.3381 127.8947 61.7421 32.4827 174.5971 46 H 5.0466 9.4872 126.9880 54.1622 33.3650 173.1030 47 H 4.0365 8.8044 123.3305 59.6864 29.3934 175.9168 48 E 4.1824 8.5311 114.6596 56.8159 29.8235 176.8200 49 G 3.9086 7.0977 107.0457 44.2822 0.0000 171.3618 50 T 5.1190 7.7777 116.1543 61.8578 70.9531 174.1866 51 F 5.2580 9.7690 124.5689 55.6239 43.3057 173.6977 52 Y 5.2036 8.1520 118.4007 55.2159 41.1299 173.9475 53 L 4.8722 8.9592 126.1792 53.6687 43.9584 174.7670 54 R 5.3414 9.3115 127.5666 54.6242 32.8419 174.5144 55 V 4.7792 9.1349 127.1685 60.5677 32.8337 172.9250 56 P 4.8853 0.0000 0.0000 62.0956 32.8326 175.2762 57 A 5.0682 8.7475 122.6164 50.5572 23.1684 174.5037 58 Y 5.0917 8.8826 117.0835 55.6556 41.9073 175.2021 59 A 4.3062 9.1104 126.2504 52.7740 18.5783 176.4128 60 V 4.2225 9.0979 122.0877 63.8831 33.5823 176.1384 61 K 4.4204 8.0296 121.0176 56.7640 35.4567 176.7064 62 G 4.2105 9.5645 110.0771 46.2444 0.0000 171.5168 63 E 4.7064 8.2471 116.1709 54.4056 31.5735 175.7959 64 I 3.7830 8.5332 123.1661 60.7837 37.7606 174.9687 65 P 3.9153 0.0000 0.0000 61.6365 31.9801 175.6669 66 R 3.9992 7.7552 120.0228 56.8945 30.7669 174.9021 67 P 4.5157 0.0000 0.0000 66.0085 31.4399 177.8978 68 S 4.5375 7.9761 110.4278 59.0062 63.3599 174.3939 69 T 4.1420 7.8539 118.8647 64.4158 69.4712 173.1513 70 I 4.4665 8.5891 127.1559 60.8174 38.6935 175.4633 71 V 5.0369 9.2482 119.9364 59.5864 35.8040 174.3768 72 Q 4.7715 9.2509 124.5950 54.6804 30.6920 175.6388 73 I 4.5754 8.2262 127.6913 60.8952 39.6668 174.9845 *75 T 4.4028 8.0698 117.8974 62.9487 69.2877 172.6555 76 P 4.7933 0.0000 0.0000 63.0568 33.0717 175.3786 77 I 5.1721 8.7260 122.2449 59.6113 41.3502 173.9723 78 L 4.7868 9.3791 129.4656 53.5508 43.7574 175.4575 79 G 4.0443 8.3588 112.6842 44.0329 0.0000 170.8913 80 K 4.4266 8.3393 121.1789 54.2631 34.3206 175.0642 81 Y 4.1379 7.7708 125.0704 56.9623 38.6683 176.0671 82 Y 4.6788 7.6773 121.2574 56.9967 37.9722 175.2195 83 Y 4.7231 7.3215 117.6365 57.6937 39.0711 175.3761 84 P 4.7039 0.0000 0.0000 64.0080 32.1122 176.1232 85 H 4.8256 8.1665 112.4448 54.8713 29.3206 174.5832 86 G 4.0120 9.0396 109.3258 45.4689 0.0000 173.9119 87 V 3.4409 7.5746 119.8818 62.1646 31.9183 174.7523 88 E 3.9327 8.0309 127.1126 55.3175 30.2267 175.1100 89 Y 4.4522 8.6354 121.6546 59.0822 39.2474 176.9747 90 E 4.7222 8.1450 116.4558 56.4619 31.1005 177.9073 91 G 3.6318 8.0589 110.7599 47.4699 0.0000 174.3934 92 E 4.5583 8.4779 120.6547 55.1892 32.2403 174.8423 93 T 4.5921 8.1392 118.9368 61.4195 72.2600 173.0835 94 F 4.7389 8.4638 121.6585 54.6565 41.4144 174.4475 95 P 4.3196 0.0000 0.0000 62.7437 33.0400 177.0311 96 Q 3.9493 8.7403 121.4720 59.4151 29.0085 178.6999 97 A 4.0468 7.9646 121.2405 55.0715 18.3812 179.7033 98 V 3.3712 7.4628 116.1171 66.1791 31.6369 178.0338 99 I 3.8204 7.5924 119.5528 64.5921 36.8965 178.1663 100 D 4.3359 8.5631 119.9428 57.2223 40.7174 178.4218 101 K 3.8004 8.0673 120.1123 59.9353 32.0009 178.4382 102 C 3.9178 8.1151 116.5176 62.8527 28.0253 175.7349 103 N 4.3360 8.4421 118.3636 56.4788 38.2517 177.2258 104 N 4.2948 8.2931 117.7772 56.1346 38.6615 177.4321 105 K 3.8110 7.9585 120.8968 59.5635 32.2212 178.9186 106 L 4.0994 8.1145 119.2086 57.5328 41.4319 179.4087 107 A 3.9510 8.0094 120.9324 55.0840 18.3527 179.5029 108 L 3.8808 7.8126 118.6584 57.9000 42.0796 178.7378 109 L 3.7898 8.3653 120.5667 58.2307 41.9088 178.8374 110 A 3.9326 8.1972 120.8316 55.0135 18.0200 179.8538 111 K 3.9121 7.8034 116.0302 59.8830 32.2725 179.4469 112 T 3.9722 8.1165 114.7159 66.7129 68.4813 176.2239 113 I 3.7549 7.5295 120.3557 64.3480 37.2728 176.5641 114 K 4.2260 7.5731 123.2378 56.6716 32.2194 176.1461 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 0 S 8.33 4.54 0.00 4.01 4.13 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 0.00 0.00 0.00 0.00 1 L 7.93 4.46 0.00 1.26 0.75 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.41 4.75 0.00 1.61 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.40 7.81 3 F 8.83 4.50 0.00 2.90 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 4 P 0.00 4.59 0.00 2.16 2.14 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 5 D 7.88 4.99 0.00 2.69 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 6 T 8.16 4.10 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 1.35 0.00 0.00 7 G 8.31 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 L 8.00 4.05 0.00 1.66 1.74 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.00 4.55 0.00 2.10 2.01 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 2.43 2.51 0.00 10 E 7.98 4.13 0.00 1.94 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 0.00 2.44 2.42 0.00 11 K 7.63 4.65 0.00 1.81 1.74 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.42 7.81 12 E 8.76 4.52 0.00 1.90 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 0.00 2.36 2.34 0.00 13 V 8.66 4.66 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 0.75 0.00 0.00 0.91 0.00 0.00 14 A 8.61 4.48 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 15 F 9.73 4.17 0.00 3.14 3.32 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 0.00 16 S 8.54 4.01 0.00 4.08 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 0.00 17 I 7.43 3.59 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.85 0.00 0.00 18 V 7.47 3.28 1.86 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 0.80 0.00 0.00 0.94 0.00 0.00 19 N 7.69 3.83 0.00 1.81 2.56 0.00 0.00 6.91 7.63 0.00 0.00 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 H 8.20 4.00 0.00 3.19 3.23 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.85 3.83 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 22 A 7.67 3.51 0.29 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 23 K 7.89 4.25 0.00 1.74 1.89 0.00 1.79 0.00 0.00 2.01 0.00 0.00 3.26 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.68 1.63 7.81 24 S 7.96 4.22 0.00 3.94 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 25 L 7.40 4.57 0.00 1.73 1.68 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.82 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 0.00 0.00 0.00 27 F 8.17 4.71 0.00 2.94 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 28 I 9.04 4.87 1.96 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 1.35 0.77 1.00 0.00 0.00 29 H 8.87 4.81 0.00 2.82 3.30 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.68 3.56 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 0.59 0.00 0.00 0.87 0.00 0.00 31 D 8.06 4.12 0.00 2.62 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 32 Q 6.55 4.15 0.00 1.78 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.52 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 33 W 8.63 4.61 0.00 3.26 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 34 D 8.25 4.57 0.00 2.72 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 35 Y 8.67 4.78 0.00 3.09 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 36 E 8.82 4.60 0.00 2.20 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 0.00 2.31 2.31 0.00 37 R 7.45 4.90 0.00 1.80 1.81 0.00 3.13 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.00 38 V 7.95 4.23 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 0.91 0.00 0.00 0.16 0.00 0.00 *40 F 8.48 5.01 0.00 2.88 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 41 D 9.69 5.75 0.00 2.65 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 42 Y 9.13 4.77 0.00 1.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.49 0.00 1.80 1.55 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.56 7.81 44 I 8.93 4.18 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.60 0.91 0.00 0.00 45 V 8.34 4.56 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 0.80 0.00 0.00 0.96 0.00 0.00 46 H 9.49 5.05 0.00 3.23 3.54 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 H 8.80 4.04 0.00 3.03 3.28 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.53 4.18 0.00 2.28 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 2.41 2.50 0.00 49 G 7.10 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 50 T 7.78 5.12 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 1.44 0.00 0.00 51 F 9.77 5.26 0.00 2.81 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 52 Y 8.15 5.20 0.00 3.03 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 53 L 8.96 4.87 0.00 1.73 1.64 0.64 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 R 9.31 5.34 0.00 2.23 2.03 0.00 3.23 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 55 V 9.13 4.78 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 0.81 0.00 0.00 0.89 0.00 0.00 56 P 0.00 4.89 0.00 2.10 1.98 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 57 A 8.75 5.07 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 58 Y 8.88 5.09 0.00 3.01 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 59 A 9.11 4.31 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 60 V 9.10 4.22 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 0.89 0.00 0.00 1.03 0.00 0.00 61 K 8.03 4.42 0.00 1.72 1.68 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 62 G 9.56 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 0.00 0.00 0.00 63 E 8.25 4.71 0.00 2.27 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 2.40 2.41 0.00 64 I 8.53 3.78 1.86 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 1.02 1.02 0.46 0.00 0.00 65 P 0.00 3.92 0.00 2.10 1.81 0.00 3.73 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 66 R 7.76 4.00 0.00 1.90 1.87 0.00 3.14 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 67 P 0.00 4.52 0.00 2.29 2.21 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 68 S 7.98 4.54 0.00 3.90 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 69 T 7.85 4.14 4.45 0.00 0.00 0.00 0.00 0.00 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 70 I 8.59 4.47 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.99 0.00 0.00 71 V 9.25 5.04 2.28 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 0.88 0.00 0.00 1.10 0.00 0.00 72 Q 9.25 4.77 0.00 2.18 2.11 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 2.31 2.46 0.00 73 I 8.23 4.58 2.08 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 1.38 0.58 0.98 0.00 0.00 *75 T 8.07 4.40 4.30 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 1.31 0.00 0.00 76 P 0.00 4.79 0.00 2.13 2.00 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 77 I 8.73 5.17 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.93 0.00 0.00 78 L 9.38 4.79 0.00 1.68 1.39 0.86 0.64 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 79 G 8.36 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 80 K 8.34 4.43 0.00 1.53 1.16 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.56 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.22 7.81 81 Y 7.77 4.14 0.00 2.59 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 82 Y 7.68 4.68 0.00 2.96 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 83 Y 7.32 4.72 0.00 2.96 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 84 P 0.00 4.70 0.00 2.18 2.15 0.00 3.46 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 1.84 1.90 0.00 85 H 8.17 4.83 0.00 3.22 3.46 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.04 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 0.00 0.00 0.00 87 V 7.57 3.44 1.62 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 -0.09 0.00 0.00 0.67 0.00 0.00 88 E 8.03 3.93 0.00 1.57 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 1.47 1.61 0.00 89 Y 8.64 4.45 0.00 2.99 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 90 E 8.15 4.72 0.00 2.08 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 0.00 2.27 2.33 0.00 91 G 8.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.56 0.00 1.74 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 0.00 2.18 2.31 0.00 93 T 8.14 4.59 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 1.22 0.00 0.00 94 F 8.46 4.74 0.00 2.96 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 95 P 0.00 4.32 0.00 1.87 1.89 0.00 3.18 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.30 0.00 96 Q 8.74 3.95 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 97 A 7.96 4.05 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 98 V 7.46 3.37 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 0.48 0.00 0.00 0.31 0.00 0.00 99 I 7.59 3.82 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.98 0.00 0.00 100 D 8.56 4.34 0.00 2.80 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 0.00 101 K 8.07 3.80 0.00 1.97 2.04 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.37 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.65 7.81 102 C 8.12 3.92 0.00 2.93 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 0.00 0.00 0.00 103 N 8.44 4.34 0.00 2.89 2.92 0.00 0.00 7.11 6.54 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 0.00 104 N 8.29 4.29 0.00 2.82 2.82 0.00 0.00 6.69 6.46 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 0.00 105 K 7.96 3.81 0.00 1.69 1.76 0.00 1.30 0.00 0.00 1.38 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 1.52 7.81 106 L 8.11 4.10 0.00 1.71 1.67 0.58 1.10 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 0.00 107 A 8.01 3.95 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 0.00 108 L 7.81 3.88 0.00 1.94 1.81 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.37 3.79 0.00 1.77 1.73 0.61 0.59 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 0.00 110 A 8.20 3.93 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 0.00 111 K 7.80 3.91 0.00 1.96 1.85 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 112 T 8.12 3.97 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 1.16 0.00 0.00 113 I 7.53 3.75 1.86 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 1.26 0.45 0.85 0.00 0.00 114 K 7.57 4.23 0.00 1.74 1.70 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.