NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2172 8.1227 123.5830 51.3726 20.5041 175.8130 3 V 3.9240 7.7693 117.5975 62.6928 31.6610 171.6930 4 E 4.4354 10.3512 128.6525 56.5549 33.3859 175.2921 5 Y 5.2592 7.9068 115.7291 55.9096 42.1727 174.5692 6 L 5.0322 8.8485 125.2416 53.6525 43.9917 175.0049 7 V 4.6821 9.1670 127.9382 61.7373 33.0580 175.3026 8 D 4.6290 8.0287 127.5430 52.1705 42.2231 176.6589 9 A 3.9242 8.3327 119.0919 55.7504 18.2862 179.9861 10 S 3.9791 7.9510 112.0790 61.3578 62.9607 176.5306 11 A 3.8583 8.4841 124.5824 54.8589 18.1403 178.9832 12 L 3.6306 8.2603 119.2471 58.7393 41.9558 178.8954 13 Y 3.7628 8.2198 115.9781 60.9471 37.8304 177.8905 14 A 4.1495 7.8632 121.2126 55.5194 18.5003 179.2993 15 L 3.9556 8.3092 117.0876 58.1391 41.5959 179.6482 16 A 4.4198 8.0378 117.5691 53.6645 18.5696 177.3272 17 A 4.8109 7.7746 118.8009 52.0353 19.9731 176.8947 18 H 5.0472 9.4170 113.7818 57.9024 31.3385 175.1843 19 Y 3.4550 8.7677 123.4586 60.6520 38.4926 178.4096 20 D 3.9716 8.1714 118.6052 56.2371 39.4972 178.0163 21 K 4.2760 7.8246 116.9133 57.2594 32.0583 177.3225 22 W 5.2148 7.0521 112.1727 55.9728 31.3321 176.6994 23 I 2.6058 6.5920 120.0962 63.2855 37.2376 177.4310 24 K 3.9129 7.6239 119.7567 58.5116 32.2878 176.6860 25 H 5.0178 8.8820 114.9309 54.6063 29.6308 175.8643 26 R 3.7797 7.8117 119.2992 59.3430 28.9893 178.5522 27 E 4.0590 8.2288 116.0219 58.2856 29.8199 178.5703 28 K 5.0907 8.7600 118.9608 57.2816 32.8088 176.2432 29 L 5.1752 7.7254 119.3527 53.6535 43.4823 175.7793 30 A 5.3200 9.2177 123.6772 50.6754 23.7040 174.3485 31 I 5.0276 8.8747 111.8417 60.0491 42.1464 173.8893 32 L 4.8775 8.7917 121.9326 53.1701 44.1833 178.1206 33 H 4.2246 8.7990 117.1776 58.9713 29.1833 177.7174 34 L 4.1341 8.3545 120.5380 58.8512 41.6090 178.8567 35 T 4.0014 7.8601 114.9161 66.8956 68.3061 176.1486 36 I 3.6006 7.7120 121.2843 64.7738 37.0705 178.0438 37 Y 3.9658 7.7218 116.4991 61.1252 37.8585 178.2271 38 E 3.8948 8.6324 119.5953 59.5654 29.6242 179.4589 39 A 4.2438 8.5810 121.2531 54.8480 18.3539 180.0215 40 G 3.5298 8.3263 104.6692 48.1377 0.0000 175.5329 41 N 4.4498 9.0280 120.7387 56.0435 38.9288 176.8178 42 A 3.9210 8.0658 122.2847 55.1263 18.5355 179.1535 43 L 4.1699 8.0365 120.1128 57.4907 42.1285 178.8333 44 W 4.2371 8.5790 128.2716 60.6307 30.6317 177.9843 45 K 3.2600 8.0268 118.1588 59.3498 31.2227 179.0751 46 E 3.9293 7.7373 117.0782 59.2694 29.6269 179.0903 47 A 4.1639 7.8400 120.7756 55.2776 18.2762 179.7993 48 R 3.6640 7.5805 115.6689 58.8443 30.0147 177.9402 49 L 4.6774 7.5649 117.0700 53.8040 43.1209 174.1889 50 G 3.7398 8.1590 114.8738 45.5155 0.0000 174.0014 51 R 4.4622 8.0066 125.6578 55.0716 30.5636 177.6572 52 V 3.1671 6.7294 120.5624 63.8396 34.6309 176.8877 53 D 4.6635 7.5193 119.7054 52.2768 36.8120 177.4383 54 W 4.2337 7.7196 119.2078 60.6254 28.7155 177.2398 55 A 3.3326 6.5183 120.9895 54.4532 17.6299 178.9022 56 A 3.7581 7.5438 116.9110 55.0299 18.5069 179.5396 57 A 3.7814 7.9564 119.2316 55.3796 18.6274 180.0871 58 S 4.1650 8.6481 112.9218 61.6026 63.0697 176.9655 59 R 3.9990 7.9340 121.9135 59.3737 29.7389 178.6028 60 H 4.2624 8.3444 116.2138 58.6859 28.4504 177.6141 61 L 3.9220 7.9691 121.5594 57.7022 41.9219 178.7190 62 K 4.0933 7.6638 118.6967 59.4243 32.2917 178.6142 63 K 4.1737 7.6693 116.7579 59.4981 31.8745 179.6754 64 V 3.7245 7.8134 118.2961 64.1746 32.2965 177.3457 *66 S 4.5912 8.0191 110.7707 57.3407 64.5537 174.2471 67 S 4.5306 8.0605 113.5780 59.1317 63.5856 173.9348 68 F 4.5982 8.2894 120.5886 56.1788 39.8382 175.7993 69 K 4.2794 8.6651 125.2059 56.4596 33.6908 175.6955 70 V 4.7776 8.1550 124.2528 61.0152 33.3215 175.2958 71 L 4.4354 8.5677 128.3852 54.1988 42.6684 176.8291 72 E 4.3884 8.5458 119.6194 55.7278 30.3224 176.7783 73 D 4.5362 8.4216 120.6834 53.7646 41.4400 175.1517 74 P 4.6076 0.0000 0.0000 61.5499 32.2563 174.2133 75 P 4.4462 0.0000 0.0000 61.9025 31.8574 177.2696 76 L 4.0785 8.9390 125.6108 58.4768 41.3391 177.2019 77 D 4.0181 7.4361 113.1914 58.5830 42.1424 177.4049 78 E 3.9190 7.9461 116.9999 59.4930 30.0362 180.8633 79 V 3.0696 6.7983 118.2093 62.9194 31.2767 178.0184 *81 R 4.2300 8.2044 118.1815 55.7821 32.0913 178.1245 82 V 3.5791 7.7057 116.6937 65.9309 31.2491 177.8658 83 A 3.9035 8.2513 120.7403 55.2504 18.1219 179.6180 84 V 3.5639 7.7555 114.9352 66.2245 31.5852 177.6979 85 E 4.1935 8.2164 117.3506 58.9147 29.5683 178.3983 86 R 4.4960 8.2796 115.3297 55.0358 30.3997 176.5164 87 G 3.9281 7.9946 105.9188 46.7070 0.0000 173.8521 88 L 4.7271 7.4305 118.0485 52.6675 44.1855 177.3377 89 T 4.3274 8.0457 111.2862 61.0732 71.3014 175.4474 90 F 3.9686 8.5537 122.9453 61.4932 39.0991 176.8209 91 Y 4.3944 7.6265 115.8477 61.3412 37.9161 178.1073 92 D 4.5246 8.3265 119.4900 57.5013 40.9327 178.6945 93 A 4.0614 8.4694 121.5376 55.1112 18.2029 179.9686 94 S 3.8464 7.6125 113.4337 61.8338 62.8293 176.4081 95 Y 3.9194 7.5663 118.6415 60.9520 37.6648 178.0934 96 A 4.0402 7.9991 121.5926 55.7609 18.3602 178.7646 97 Y 3.8918 8.3599 117.9973 60.7074 38.8620 178.0518 98 V 3.5186 8.1247 118.6409 66.2667 31.5725 177.6382 99 A 3.9500 8.3555 120.3321 55.4286 18.0105 179.2631 100 E 3.8289 8.3225 115.9450 59.5374 29.9421 179.4403 101 S 4.0407 8.3340 113.4553 61.4858 62.1565 176.0717 102 S 4.2815 8.0726 114.1290 57.7425 62.4920 174.2337 103 G 3.9458 7.6373 109.0198 46.6307 0.0000 173.8766 104 L 4.5355 7.9320 117.9143 52.8445 44.5820 176.8665 105 V 4.1279 8.2305 121.1883 61.3152 32.9220 174.7459 106 L 4.6648 8.5467 131.4674 55.0888 43.4226 175.5481 107 V 4.7138 9.2518 127.8749 61.8726 32.6193 174.3013 108 T 4.9533 8.7201 122.3854 60.4719 70.9451 173.9384 109 Q 4.3305 8.6080 125.1531 56.0182 29.9513 175.5604 110 D 4.5143 8.3068 118.5679 54.2563 41.9721 176.4072 111 R 3.8922 8.6225 126.8536 59.3425 30.1928 178.3633 112 E 3.9133 8.6051 119.1416 59.4582 29.4665 178.8215 113 L 4.0069 8.0659 116.9294 57.8045 41.9959 178.8953 114 L 4.0653 8.1221 118.6486 57.9361 41.4021 179.1768 115 A 4.0167 7.8550 119.3335 55.3095 18.4281 179.0433 116 K 4.4709 7.8170 113.1448 55.5884 32.6031 176.6874 117 T 4.4870 7.4847 117.5183 60.9796 70.9368 173.1811 118 K 3.9385 8.8807 128.4908 57.8715 32.1949 176.4704 119 G 3.8538 8.9674 113.6357 46.0006 0.0000 172.8191 120 A 4.5990 7.5989 120.5487 51.8104 19.3929 177.3849 121 I 4.7536 8.5788 112.3074 59.6425 42.1803 173.9944 122 D 5.6644 8.3240 122.3628 51.5906 41.8525 177.5918 123 V 3.4508 8.5290 116.9802 66.1831 31.3371 177.2750 124 E 3.9384 8.2748 118.5167 59.7908 29.3674 178.8843 125 T 3.8552 8.8035 115.9314 66.4915 68.4838 176.4884 126 L 3.7558 7.6916 122.1931 58.0873 41.9347 179.0651 127 L 4.0698 8.4486 119.2916 57.7153 41.3102 179.7068 128 V 3.7768 7.7826 111.3898 63.5848 31.7590 178.7225 129 R 4.0856 7.7614 118.2580 59.2835 29.9179 178.6002 130 L 3.8179 8.0150 117.4964 57.9561 41.6537 179.2045 131 A 4.1678 7.6437 119.4082 54.7197 18.7145 178.4477 132 A 4.3483 7.9346 120.3912 51.7032 18.1984 177.4947 133 Q 4.2449 7.7904 124.7606 57.7975 29.7403 174.7101 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 2 A 8.12 4.22 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 3 V 7.77 3.92 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 0.84 0.00 0.00 0.96 0.00 0.00 4 E 10.35 4.44 0.00 1.56 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 2.04 2.15 0.00 5 Y 7.91 5.26 0.00 2.94 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 6 L 8.85 5.03 0.00 1.85 1.64 1.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.17 4.68 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 0.68 0.00 0.00 1.01 0.00 0.00 8 D 8.03 4.63 0.00 1.58 1.70 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 9 A 8.33 3.92 1.26 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 0.00 0.00 10 S 7.95 3.98 0.00 3.99 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 11 A 8.48 3.86 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 12 L 8.26 3.63 0.00 1.73 1.85 0.75 -0.04 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 13 Y 8.22 3.76 0.00 3.18 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 14 A 7.86 4.15 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 15 L 8.31 3.96 0.00 1.69 1.19 0.65 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.04 4.42 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 17 A 7.77 4.81 1.18 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 0.00 0.00 18 H 9.42 5.05 0.00 3.58 3.43 0.00 5.66 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 19 Y 8.77 3.45 0.00 3.04 2.90 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 20 D 8.17 3.97 0.00 2.77 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 21 K 7.82 4.28 0.00 2.07 1.98 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.39 7.81 22 W 7.05 5.21 0.00 3.51 3.23 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 23 I 6.59 2.61 0.56 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 0.63 0.80 0.37 0.00 0.00 24 K 7.62 3.91 0.00 1.55 1.52 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.32 7.81 25 H 8.88 5.02 0.00 3.32 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.81 3.78 0.00 2.08 2.29 0.00 2.76 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 27 E 8.23 4.06 0.00 2.15 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 2.39 2.30 0.00 28 K 8.76 5.09 0.00 2.12 2.11 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.43 7.81 29 L 7.73 5.18 0.00 1.48 1.57 0.99 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.22 5.32 1.32 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 0.00 0.00 31 I 8.87 5.03 1.92 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 1.52 0.89 0.83 0.00 0.00 32 L 8.79 4.88 0.00 1.51 1.53 0.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.80 4.22 0.00 3.43 3.54 0.00 5.64 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 34 L 8.35 4.13 0.00 1.74 1.75 1.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.86 4.00 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 1.26 0.00 0.00 36 I 7.71 3.60 1.48 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 1.61 0.91 0.59 0.00 0.00 37 Y 7.72 3.97 0.00 3.23 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 38 E 8.63 3.89 0.00 2.13 1.99 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 2.20 2.24 0.00 39 A 8.58 4.24 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 40 G 8.33 3.53 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 0.00 0.00 0.00 41 N 9.03 4.45 0.00 2.85 2.88 0.00 0.00 7.17 6.49 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 42 A 8.07 3.92 1.18 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 0.00 0.00 43 L 8.04 4.17 0.00 2.14 1.99 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.58 4.24 0.00 3.43 3.43 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 45 K 8.03 3.26 0.00 2.01 1.70 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.39 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.49 7.81 46 E 7.74 3.93 0.00 2.13 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 2.60 2.61 0.00 47 A 7.84 4.16 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 48 R 7.58 3.66 0.00 1.19 1.59 0.00 3.13 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.81 0.00 49 L 7.56 4.68 0.00 1.54 1.61 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.16 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 0.00 0.00 0.00 51 R 8.01 4.46 0.00 1.96 1.83 0.00 3.45 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 V 6.73 3.17 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 0.83 0.00 0.00 0.94 0.00 0.00 53 D 7.52 4.66 0.00 2.80 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 54 W 7.72 4.23 0.00 3.62 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.52 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.54 3.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.78 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 4.16 0.00 4.17 4.53 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 59 R 7.93 4.00 0.00 2.10 2.03 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 60 H 8.34 4.26 0.00 3.24 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.97 3.92 0.00 1.82 1.81 0.99 0.48 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 62 K 7.66 4.09 0.00 1.99 2.06 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.51 7.81 63 K 7.67 4.17 0.00 1.89 1.83 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.63 7.81 64 V 7.81 3.72 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 1.46 0.00 0.00 0.97 0.00 0.00 *66 S 8.02 4.59 0.00 4.12 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 67 S 8.06 4.53 0.00 4.08 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 68 F 8.29 4.60 0.00 2.97 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 69 K 8.67 4.28 0.00 1.85 1.74 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.44 7.81 70 V 8.16 4.78 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 0.65 0.00 0.00 0.97 0.00 0.00 71 L 8.57 4.44 0.00 1.60 1.63 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.55 4.39 0.00 2.00 1.93 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 2.37 2.37 0.00 73 D 8.42 4.54 0.00 2.72 2.66 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 0.00 0.00 0.00 74 P 0.00 4.61 0.00 1.96 2.13 0.00 3.69 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 1.98 2.16 0.00 75 P 0.00 4.45 0.00 2.08 1.96 0.00 3.37 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 76 L 8.94 4.08 0.00 1.64 1.75 0.76 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.44 4.02 0.00 2.64 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 78 E 7.95 3.92 0.00 1.16 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 2.23 2.19 0.00 79 V 6.80 3.07 1.53 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 -0.07 0.00 0.00 0.58 0.00 0.00 *81 R 8.20 4.23 0.00 2.00 1.99 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 82 V 7.71 3.58 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 0.95 0.00 0.00 1.10 0.00 0.00 83 A 8.25 3.90 1.38 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 0.00 0.00 84 V 7.76 3.56 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 0.91 0.00 0.00 0.94 0.00 0.00 85 E 8.22 4.19 0.00 2.07 1.99 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 2.35 2.47 0.00 86 R 8.28 4.50 0.00 1.80 1.96 0.00 3.32 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 87 G 7.99 3.93 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 0.00 0.00 0.00 88 L 7.43 4.73 0.00 1.61 1.60 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.05 4.33 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 1.28 0.00 0.00 90 F 8.55 3.97 0.00 2.99 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 91 Y 7.63 4.39 0.00 3.18 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 92 D 8.33 4.52 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 93 A 8.47 4.06 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 94 S 7.61 3.85 0.00 3.90 3.65 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 95 Y 7.57 3.92 0.00 3.38 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 96 A 8.00 4.04 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 97 Y 8.36 3.89 0.00 3.06 3.04 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 98 V 8.12 3.52 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 0.95 0.00 0.00 1.02 0.00 0.00 99 A 8.36 3.95 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 0.00 100 E 8.32 3.83 0.00 2.07 1.94 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 2.32 2.31 0.00 101 S 8.33 4.04 0.00 2.89 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 0.00 102 S 8.07 4.28 0.00 3.86 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 0.00 103 G 7.64 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 0.00 104 L 7.93 4.54 0.00 1.49 1.58 0.93 0.68 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 0.00 105 V 8.23 4.13 1.99 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 1.16 0.00 0.00 0.86 0.00 0.00 106 L 8.55 4.66 0.00 1.82 1.57 0.99 0.89 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 0.00 107 V 9.25 4.71 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 0.77 0.00 0.00 0.92 0.00 0.00 108 T 8.72 4.95 4.19 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 1.18 0.00 0.00 109 Q 8.61 4.33 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 110 D 8.31 4.51 0.00 2.67 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 0.00 111 R 8.62 3.89 0.00 1.85 1.97 0.00 3.35 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 112 E 8.61 3.91 0.00 2.09 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 2.32 2.41 0.00 113 L 8.07 4.01 0.00 1.64 1.72 0.90 1.05 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 0.00 114 L 8.12 4.07 0.00 1.91 1.73 0.95 0.81 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 0.00 115 A 7.85 4.02 1.38 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 0.00 0.00 116 K 7.82 4.47 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 117 T 7.48 4.49 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 1.24 0.00 0.00 118 K 8.88 3.94 0.00 1.85 1.74 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.40 7.81 119 G 8.97 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 0.00 120 A 7.60 4.60 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 0.00 121 I 8.58 4.75 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 1.00 0.00 0.00 122 D 8.32 5.66 0.00 2.97 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 0.00 123 V 8.53 3.45 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 0.95 0.00 0.00 124 E 8.27 3.94 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 2.37 2.40 0.00 125 T 8.80 3.86 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 1.23 0.00 0.00 126 L 7.69 3.76 0.00 1.52 1.66 -0.40 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.45 4.07 0.00 1.78 1.68 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.78 3.78 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 0.83 0.00 0.00 0.99 0.00 0.00 129 R 7.76 4.09 0.00 2.05 2.02 0.00 3.31 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 130 L 8.02 3.82 0.00 1.56 1.66 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.64 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.93 4.35 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 0.00 133 Q 7.79 4.24 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.