NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3756 8.1733 120.0849 55.5557 35.5167 174.6972 4 I 4.4696 7.4379 121.3313 58.4038 39.8750 172.9883 5 R 5.8658 8.4919 126.8918 53.6262 33.6019 173.9420 6 I 4.8173 8.6146 119.1700 59.1047 40.2794 174.2980 7 K 4.6674 9.9650 127.4622 54.8690 33.9132 175.3199 8 L 4.9508 9.2074 126.1578 52.0162 44.0591 175.0375 9 R 4.5645 8.4199 121.8635 54.4141 32.1022 179.2163 10 G 3.7195 10.0939 116.4079 45.9598 0.0000 172.2332 11 F 5.1730 8.1137 119.5162 57.0862 43.6039 173.8522 12 D 4.3353 8.6260 118.6848 55.0734 42.0409 176.4994 13 H 4.6926 8.5949 123.3856 55.8780 29.4023 176.2404 14 K 4.4761 8.2031 118.6889 57.7958 35.3965 178.0321 15 T 4.6518 7.6469 106.0315 61.1474 68.7228 175.0651 16 L 4.7802 7.4684 121.2257 54.1005 44.6398 176.7896 17 D 4.4488 8.1134 117.4749 56.8018 42.0096 178.0173 18 A 3.9370 7.9352 122.0236 55.4222 18.5400 179.5544 19 S 4.3356 8.1527 106.1082 59.3707 63.1520 174.9082 20 A 4.3374 8.0586 124.8304 54.4010 19.9225 178.9407 21 Q 4.1023 7.9149 112.6448 57.4158 28.5028 177.4692 22 K 4.1358 8.0387 120.4495 59.4038 32.2854 178.2276 23 I 3.7331 7.5445 119.1010 62.9091 37.4154 177.5013 24 V 3.9645 7.6192 119.4934 65.0163 32.0982 176.9507 25 E 4.2900 7.8219 116.3388 57.7169 29.6059 177.6506 26 A 4.3238 8.8987 119.8382 52.9740 18.6815 177.9986 27 A 4.5432 7.3382 119.1732 52.6141 20.9367 179.3814 28 R 4.3679 7.5425 115.3843 55.2388 29.0997 176.1331 29 R 4.7450 7.6379 117.7902 57.1883 37.7400 175.2197 30 S 4.6422 8.0369 111.5441 58.8625 64.9864 172.9985 31 G 4.0816 8.0792 112.1942 44.4972 0.0000 170.8262 32 A 4.3993 8.4160 128.9688 52.4625 19.2830 176.5552 33 Q 4.4585 8.5152 113.3538 55.8560 30.7069 175.3229 34 V 4.6719 8.1027 122.4356 60.5741 34.2101 174.8223 35 S 4.1269 9.1614 123.3376 58.9123 62.9992 174.1298 36 G 3.9305 8.6422 114.2043 42.7141 0.0000 170.1257 37 P 4.4649 0.0000 0.0000 62.9646 31.9942 175.9088 38 I 4.2756 8.7748 120.7520 58.8876 39.2745 173.5492 39 P 4.9971 0.0000 0.0000 61.7791 31.1111 175.4490 40 L 4.5190 8.5409 126.0680 54.1278 42.2334 174.5582 41 P 3.9760 0.0000 0.0000 61.0573 30.2015 175.5914 42 T 3.9300 8.3804 121.2913 63.9956 69.0299 174.2509 43 R 4.2525 8.5007 126.8415 54.9702 31.2236 175.7086 44 V 4.3721 8.3520 132.0938 63.0493 33.8300 177.9762 45 R 5.2689 8.0302 123.7705 56.7751 30.8775 174.1466 46 R 4.1928 7.7127 123.6232 54.4430 31.7408 175.6558 47 F 5.1871 6.6614 117.8397 57.4914 40.5188 172.5546 48 T 4.9979 8.6293 122.3460 61.7506 70.2981 174.2240 49 V 4.6303 8.0706 124.3832 59.7102 34.7970 174.7828 50 I 3.9225 8.3964 116.8963 60.5376 37.7300 175.5919 51 R 3.4030 8.8858 124.3735 59.1315 30.8424 176.6700 52 G 4.0524 7.9374 109.9928 45.8744 0.0000 171.2658 53 P 4.5300 0.0000 0.0000 63.1101 31.6479 175.4439 54 F 4.9172 7.4856 118.8123 57.9827 41.9841 175.4550 55 K 4.2811 7.6799 129.7240 56.7463 33.7550 176.4497 56 H 4.9471 8.0751 127.3780 55.0370 30.1441 176.3613 57 K 4.3711 7.6668 114.4552 55.4570 31.6588 176.9830 58 D 4.6049 9.6780 116.9566 53.3955 45.4429 175.0138 59 S 3.7242 8.4738 112.6255 59.2972 62.4672 172.5503 60 R 4.3046 7.4981 122.0716 57.3706 30.5300 175.8316 61 E 4.4755 8.4424 117.1967 55.8471 33.2181 174.8684 62 H 4.9820 8.7542 122.8831 53.6037 29.9554 172.7424 63 F 5.0449 8.6455 114.3135 55.6096 42.1132 172.5264 64 E 4.5405 8.4851 117.4633 53.9362 32.9383 175.9981 65 L 4.4691 7.5496 118.1888 53.7437 41.1941 176.7393 66 R 3.7820 7.8828 117.4171 57.2967 30.8723 177.9592 67 T 4.7482 8.8971 121.0780 61.1133 66.6979 174.1046 68 H 4.6527 8.7613 125.3623 56.0363 30.5116 172.6661 69 N 5.0031 7.7063 115.0089 53.7752 42.6691 174.0236 70 R 4.6362 7.9473 117.4007 56.3813 34.2586 173.1578 71 L 5.3350 8.2901 126.4266 53.6377 46.2138 175.1845 72 V 4.8858 8.3410 122.1769 61.7677 35.6459 172.5152 73 D 5.3855 9.3316 127.4761 52.4382 44.0835 175.0694 74 I 4.4543 8.5010 118.0765 59.4522 38.1568 176.2483 75 I 3.6120 8.1374 122.5462 63.8580 37.8428 176.2999 76 N 4.5682 8.1094 122.9140 52.0885 38.4552 172.3845 77 P 4.9309 0.0000 0.0000 62.4280 32.9719 178.5935 78 N 4.9129 7.7756 118.7082 52.6463 35.3222 176.2327 79 R 4.5816 8.4338 110.7691 55.4408 32.5138 176.9566 80 K 4.1490 8.2171 118.1314 58.5017 32.7037 177.3151 81 T 5.0619 7.6859 107.6221 62.7277 70.0988 176.5794 82 I 3.7511 7.1679 122.8212 64.5750 36.7910 176.4841 83 E 4.1113 8.1074 120.4164 57.2095 29.5234 177.9476 84 Q 4.1009 8.0197 116.6950 59.7216 29.3255 179.4296 85 L 4.0264 7.9233 119.3715 57.6535 41.5909 178.4326 86 M 4.2711 8.3261 117.7889 57.4543 32.3305 176.1678 87 T 4.6727 7.9133 106.6233 63.8076 75.5634 174.6571 88 L 4.1397 7.8035 124.9992 54.1085 40.3834 177.4630 89 D 4.7184 7.6388 118.8132 53.4394 41.8316 177.9516 90 L 4.7733 8.2514 127.9818 53.1978 42.2666 175.1671 91 P 4.6921 0.0000 0.0000 61.8253 33.0752 175.2227 92 T 4.2847 8.6264 116.9124 63.2772 68.6768 175.1824 93 G 4.2745 7.5867 108.3173 44.0016 0.0000 171.9870 94 V 4.4422 7.4227 116.1963 61.0224 34.9196 173.9302 95 E 4.8699 8.7209 126.5387 54.2193 32.7486 174.2921 96 I 4.8601 8.3115 118.2769 59.1669 40.2350 174.8188 97 E 4.4933 9.0730 123.5311 54.9660 32.5527 175.1529 98 I 5.1997 8.2064 126.4839 59.1785 38.6125 176.0191 99 K 4.5343 8.2699 128.7424 56.4087 35.0496 176.0293 100 T 4.7208 8.1554 111.7820 63.0340 70.6823 174.4308 *101 V 3.9054 8.4188 123.0671 60.8390 32.3498 171.5787 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 K 8.17 4.38 0.00 1.73 1.93 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.66 7.81 4 I 7.44 4.47 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 1.11 1.02 0.91 0.00 0.00 5 R 8.49 5.87 0.00 2.02 1.73 0.00 3.08 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 6 I 8.61 4.82 1.86 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 1.51 0.62 0.90 0.00 0.00 7 K 9.96 4.67 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.54 7.81 8 L 9.21 4.95 0.00 1.67 1.54 0.91 0.74 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 9 R 8.42 4.56 0.00 1.58 0.85 0.00 3.14 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.51 0.00 10 G 10.09 3.72 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 0.00 0.00 0.00 11 F 8.11 5.17 0.00 3.04 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 12 D 8.63 4.34 0.00 2.74 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 13 H 8.59 4.69 0.00 3.26 3.11 0.00 5.52 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.20 4.48 0.00 1.95 1.74 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.07 7.81 15 T 7.65 4.65 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 1.30 0.00 0.00 16 L 7.47 4.78 0.00 1.66 1.62 0.92 1.26 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 17 D 8.11 4.45 0.00 2.80 2.62 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 18 A 7.94 3.94 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 19 S 8.15 4.34 0.00 4.00 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 20 A 8.06 4.34 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 21 Q 7.91 4.10 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 22 K 8.04 4.14 0.00 1.84 1.71 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.61 7.81 23 I 7.54 3.73 1.87 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 0.64 0.91 0.00 0.00 24 V 7.62 3.96 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 1.09 0.00 0.00 0.98 0.00 0.00 25 E 7.82 4.29 0.00 2.07 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 2.28 2.51 0.00 26 A 8.90 4.32 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 27 A 7.34 4.54 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 28 R 7.54 4.37 0.00 1.81 1.94 0.00 3.21 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 29 R 7.64 4.75 0.00 1.83 1.87 0.00 3.22 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 30 S 8.04 4.64 0.00 4.21 4.11 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 0.00 0.00 0.00 0.00 31 G 8.08 4.08 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 0.00 0.00 0.00 32 A 8.42 4.40 1.23 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 33 Q 8.52 4.46 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 34 V 8.10 4.67 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 0.84 0.00 0.00 0.93 0.00 0.00 35 S 9.16 4.13 0.00 3.90 3.90 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 36 G 8.64 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 37 P 0.00 4.46 0.00 1.95 2.06 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 38 I 8.77 4.28 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 1.53 0.82 0.98 0.00 0.00 39 P 0.00 5.00 0.00 2.11 2.16 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 40 L 8.54 4.52 0.00 1.68 1.71 0.93 0.71 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 41 P 0.00 3.98 0.00 2.21 2.14 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 42 T 8.38 3.93 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 0.97 0.00 0.00 43 R 8.50 4.25 0.00 1.79 1.87 0.00 3.12 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 44 V 8.35 4.37 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 0.71 0.00 0.00 0.87 0.00 0.00 45 R 8.03 5.27 0.00 2.04 1.85 0.00 3.54 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 46 R 7.71 4.19 0.00 1.72 1.68 0.00 3.28 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 47 F 6.66 5.19 0.00 3.35 3.30 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 48 T 8.63 5.00 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 1.15 0.00 0.00 49 V 8.07 4.63 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 0.81 0.00 0.00 0.99 0.00 0.00 50 I 8.40 3.92 1.88 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 1.36 0.91 0.95 0.00 0.00 51 R 8.89 3.40 0.00 1.82 1.91 0.00 3.36 0.00 0.00 3.20 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 52 G 7.94 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 53 P 0.00 4.53 0.00 2.25 2.22 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 54 F 7.49 4.92 0.00 2.86 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 55 K 7.68 4.28 0.00 1.63 1.36 0.00 1.11 0.00 0.00 1.31 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.27 7.81 56 H 8.08 4.95 0.00 3.17 3.20 0.00 5.63 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 57 K 7.67 4.37 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.37 7.81 58 D 9.68 4.60 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 3.72 0.00 4.03 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 60 R 7.50 4.30 0.00 2.09 1.86 0.00 3.00 0.00 0.00 3.11 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 61 E 8.44 4.48 0.00 1.91 1.54 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 1.93 2.11 0.00 62 H 8.75 4.98 0.00 3.21 3.14 0.00 5.54 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 63 F 8.65 5.04 0.00 2.87 3.17 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 64 E 8.49 4.54 0.00 1.67 1.66 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 2.02 2.16 0.00 65 L 7.55 4.47 0.00 1.54 1.59 0.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.88 3.78 0.00 1.65 1.76 0.00 3.22 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 67 T 8.90 4.75 4.63 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 1.39 0.00 0.00 68 H 8.76 4.65 0.00 3.07 3.33 0.00 5.98 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.71 5.00 0.00 2.58 2.72 0.00 0.00 6.62 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 70 R 7.95 4.64 0.00 1.88 1.72 0.00 3.04 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.59 0.00 71 L 8.29 5.34 0.00 1.77 1.43 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.34 4.89 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 1.00 0.00 0.00 0.93 0.00 0.00 73 D 9.33 5.39 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 4.45 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 1.43 0.89 0.91 0.00 0.00 75 I 8.14 3.61 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 1.31 0.59 0.93 0.00 0.00 76 N 8.11 4.57 0.00 2.68 2.85 0.00 0.00 6.93 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 77 P 0.00 4.93 0.00 2.07 2.04 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 78 N 7.78 4.91 0.00 2.87 2.84 0.00 0.00 6.58 6.94 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 79 R 8.43 4.58 0.00 1.80 1.93 0.00 3.29 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 1.60 1.52 0.00 80 K 8.22 4.15 0.00 1.71 2.13 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.37 7.81 81 T 7.69 5.06 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 1.33 0.00 0.00 82 I 7.17 3.75 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 1.49 0.76 0.91 0.00 0.00 83 E 8.11 4.11 0.00 1.94 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 2.32 2.34 0.00 84 Q 8.02 4.10 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 85 L 7.92 4.03 0.00 1.68 1.65 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.33 4.27 0.00 1.93 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 87 T 7.91 4.67 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 88 L 7.80 4.14 0.00 1.55 1.85 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.64 4.72 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.77 0.00 1.56 1.61 0.95 1.08 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 91 P 0.00 4.69 0.00 2.34 2.02 0.00 3.84 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 92 T 8.63 4.28 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 93 G 7.59 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 0.00 0.00 0.00 94 V 7.42 4.44 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 0.78 0.00 0.00 0.92 0.00 0.00 95 E 8.72 4.87 0.00 1.97 1.65 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 2.21 2.22 0.00 96 I 8.31 4.86 1.85 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 1.33 1.11 0.94 0.00 0.00 97 E 9.07 4.49 0.00 1.84 1.87 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 2.19 2.38 0.00 98 I 8.21 5.20 1.86 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 1.35 0.94 0.94 0.00 0.00 99 K 8.27 4.53 0.00 1.71 1.77 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.43 7.81 100 T 8.16 4.72 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 *101 V 8.42 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.