NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.6515 8.3149 122.0625 56.7278 33.6623 174.7511 3 E 4.7590 8.8589 123.8081 53.4784 34.4154 169.2206 4 V 4.7096 9.2551 124.3614 60.7344 33.6694 174.8813 5 I 4.7606 8.2404 123.5474 59.7781 39.6384 174.8266 6 F 5.2392 8.4580 125.6918 57.3991 42.6485 173.2202 7 T 4.0088 6.7687 116.4818 61.4788 70.0235 172.9377 8 E 4.0515 8.0977 125.3172 56.9776 30.1191 177.0857 9 N 4.4596 7.8690 114.2305 54.5735 38.8539 174.6860 10 A 4.6762 7.1635 120.2437 49.3002 22.4064 174.0114 11 P 4.0993 0.0000 0.0000 62.3850 32.0199 176.0550 12 K 4.2975 8.5493 123.9514 55.2144 32.6460 175.4007 13 P 4.4087 0.0000 0.0000 62.8892 29.3097 174.5756 14 I 3.7267 7.9258 124.9963 64.9997 37.2474 174.4550 15 G 4.1665 8.5277 113.3194 42.5125 0.0000 171.1816 16 P 4.4492 0.0000 0.0000 61.8070 29.6890 174.7287 17 Y 4.9235 7.1556 115.3135 57.2727 42.6057 174.8387 18 S 4.9822 8.4463 116.4141 56.7264 66.4860 174.5525 19 Q 4.3596 8.7366 119.6944 58.9622 29.8749 176.0775 20 A 4.8833 7.4918 117.0186 51.3518 22.4591 175.3253 21 I 5.0150 8.6344 120.1620 59.3119 41.6365 174.6780 22 K 5.1312 9.3260 126.4661 54.7368 34.8550 174.6652 23 A 4.9499 8.7810 128.8464 50.5698 22.1874 175.6760 24 G 3.7688 9.0590 110.2022 47.5104 0.0000 174.1516 25 N 4.7689 8.9658 121.4869 52.9752 39.1950 173.7589 26 F 5.2626 8.4411 118.2700 55.8724 41.8383 174.6474 27 L 4.7971 8.9111 124.4279 53.4202 44.4353 175.0349 28 F 4.9500 9.3170 126.6001 56.1885 41.0427 174.9411 29 I 4.7263 8.6612 125.6206 59.1839 38.9643 175.6316 30 A 4.3046 8.5968 129.3866 51.5751 19.2414 177.4165 31 G 3.6884 8.6881 107.6596 47.1162 0.0000 173.2267 32 Q 4.9082 9.2625 125.3529 54.5997 31.3704 174.7363 33 I 4.9121 7.9605 113.3934 58.2353 41.4310 174.1340 34 P 4.6344 0.0000 0.0000 63.3940 29.1782 173.1261 35 I 5.0185 7.5743 125.8011 59.8700 40.8583 174.2596 36 D 4.5151 8.8880 128.0072 53.4536 41.3713 175.4364 37 P 4.1998 0.0000 0.0000 66.0727 31.3888 178.4017 38 K 4.1147 8.0997 120.4074 57.4866 31.6019 182.9131 39 T 4.0655 8.6395 111.5585 61.7800 69.4010 174.8571 40 G 4.0017 7.5007 112.7476 44.6086 0.0000 172.8882 41 E 4.7252 8.2779 119.0104 53.4831 32.8672 175.5380 42 I 4.7637 8.3069 120.7403 60.8184 37.2920 177.9622 43 V 3.8025 8.7343 124.7967 62.3985 32.0863 178.1950 44 K 3.4311 9.0947 126.1489 54.4407 31.0952 183.8738 45 G 3.9441 8.8608 110.4924 46.0297 0.0000 171.3943 46 D 4.3024 8.2876 119.5504 55.3568 40.8795 176.1623 47 I 4.5304 8.1265 118.0175 61.6450 42.7869 177.6881 48 K 4.0576 8.0515 124.6079 59.3975 31.4735 181.3728 49 D 4.5009 7.9794 117.1323 57.4573 41.2317 178.1890 50 Q 3.9851 7.8310 118.2654 58.8531 28.8124 178.3014 51 T 3.6437 8.1516 117.1587 66.5223 68.5698 176.2352 52 R 3.7230 7.8903 120.6945 59.6668 29.9600 178.1201 53 Q 3.8465 8.0755 118.8174 59.1160 29.1089 177.9893 54 V 3.4937 8.1454 119.4982 66.2086 31.4322 177.6792 55 L 3.6530 7.7479 118.6189 57.9182 41.2965 179.5836 56 E 4.0195 7.8202 117.9843 59.5343 28.8750 179.0448 57 N 4.3206 8.5175 116.9120 56.4311 38.5028 177.5893 58 I 3.7708 7.7829 121.1507 64.0734 37.2090 178.1542 59 K 3.8963 8.2057 120.4720 59.5467 31.9955 178.3838 60 A 4.3653 7.9690 122.1352 54.8681 18.0930 179.7502 61 I 3.7019 7.4667 117.1268 64.2443 37.1076 178.5672 62 L 3.9658 8.0538 119.9763 57.9195 41.4202 179.1501 63 E 4.0747 8.4025 118.0645 59.8138 29.3145 179.2791 64 A 4.0171 7.6995 118.7445 54.7409 18.2980 178.5105 65 A 4.7154 7.3718 116.0479 51.2437 19.6527 176.6834 66 G 3.7745 9.1808 107.1030 47.7468 0.0000 173.7290 67 Y 4.6996 8.0901 116.1369 55.7197 40.7914 176.3763 68 S 4.7620 8.5305 118.5919 56.9587 65.4909 173.7303 69 L 4.3414 8.3456 118.5780 57.1413 41.7024 178.0818 70 N 4.9379 8.1066 113.5639 52.5155 37.4349 175.1604 71 D 4.6851 7.9178 118.4690 54.7562 41.9163 176.1434 72 V 4.1675 7.5486 120.6261 62.8325 31.7183 175.1782 73 I 4.2837 8.3908 121.2422 61.9828 39.6640 175.6950 74 K 5.0559 7.7387 122.5429 54.6271 35.9733 175.1814 75 V 4.8480 9.0827 125.7700 61.4815 35.6546 174.0396 76 T 4.8073 9.0113 123.1540 61.7605 72.2408 172.8385 77 V 4.7381 8.5805 127.2960 61.4192 33.8955 173.8656 78 Y 4.9370 9.0955 126.8807 56.6694 39.5200 175.1325 79 L 5.0350 8.9016 125.0054 53.4979 44.2811 177.5718 80 K 4.1794 8.2611 122.8420 57.2270 32.8889 178.0955 81 D 5.6949 7.5783 114.0918 54.6510 42.8095 177.2544 *91 V 4.1825 7.5403 117.4097 62.8770 33.5920 176.5544 92 Y 4.0803 8.2001 116.3417 61.3093 37.8090 178.4248 93 A 4.1969 8.4662 120.9405 55.4389 18.0447 179.2278 94 E 3.7940 7.8056 115.9629 59.7470 29.6112 178.5708 95 Y 4.1218 7.8884 114.6572 58.6800 38.5367 176.4824 96 F 5.1383 7.6356 116.5337 57.1131 39.8140 177.0352 97 G 3.9051 7.9609 111.0327 49.1210 0.0000 174.8977 98 E 4.3957 8.1063 116.9992 55.9254 30.2617 176.9407 99 S 4.4196 8.1152 114.4090 59.5895 63.8498 173.5172 100 K 3.9963 8.3106 116.0359 57.0972 29.3338 171.9727 101 P 4.6693 0.0000 0.0000 61.2722 33.5793 176.8935 102 A 4.1391 8.8835 123.7900 52.0982 19.1450 176.7841 103 R 4.9874 8.4722 122.1076 54.4252 33.3867 174.8807 104 V 4.5087 8.3821 123.1768 61.0874 35.1480 174.0202 105 A 5.0274 8.3961 127.8836 50.5094 21.9337 175.3740 106 V 4.5171 8.3942 113.8466 59.9839 37.2536 173.6538 107 E 5.1020 8.7017 121.0130 55.0885 31.7157 175.9958 108 V 4.6230 8.9341 117.3764 59.6240 34.5262 176.1006 109 S 4.3642 8.6930 116.7462 61.4934 63.0934 175.2311 110 R 4.5637 7.3488 114.9258 55.3058 33.6185 173.5932 111 L 4.7924 7.9593 119.4578 51.7180 45.5131 174.3583 112 P 4.3024 0.0000 0.0000 63.9776 31.6237 176.4721 113 K 3.7653 9.3741 117.1690 57.4642 30.0827 174.3758 114 D 4.2699 7.4970 113.5764 55.2781 39.9798 173.3207 115 V 4.1125 7.4169 110.6026 60.7596 33.1595 176.6567 116 L 4.4734 8.2047 119.2093 56.2909 42.8176 176.6235 117 I 4.8784 7.4458 117.0537 59.7403 41.2379 173.3871 118 E 5.2725 9.1540 128.1147 53.6549 33.1418 173.9341 119 I 5.2865 8.5902 126.9213 59.4075 40.8500 174.0562 120 E 5.1723 9.2328 123.9211 54.5661 32.5396 174.7743 121 A 5.2943 8.4917 121.5838 50.4917 23.6146 174.7247 122 I 5.0242 8.6447 118.4216 59.7804 41.7602 174.6786 123 A 5.0679 8.6234 124.6867 50.9438 22.8556 174.5884 124 Y 5.0187 8.8114 120.8900 55.7731 42.0078 175.5011 125 K 4.0380 7.2129 124.5783 54.5481 34.8654 175.9235 126 E 3.6962 8.2975 126.2027 56.6029 29.3492 177.0497 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 K 8.31 4.65 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.53 7.81 3 E 8.86 4.76 0.00 1.98 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 2.27 2.37 0.00 4 V 9.26 4.71 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 0.74 0.00 0.00 0.98 0.00 0.00 5 I 8.24 4.76 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.98 0.00 0.00 6 F 8.46 5.24 0.00 2.85 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 7 T 6.77 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 1.16 0.00 0.00 8 E 8.10 4.05 0.00 1.90 1.83 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 2.28 2.25 0.00 9 N 7.87 4.46 0.00 2.70 2.81 0.00 0.00 6.64 7.39 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 10 A 7.16 4.68 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 2.06 2.04 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 12 K 8.55 4.30 0.00 1.82 1.81 0.00 1.95 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.59 1.88 7.81 13 P 0.00 4.41 0.00 2.49 2.23 0.00 4.26 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 2.10 2.16 0.00 14 I 7.93 3.73 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 1.40 0.85 0.96 0.00 0.00 15 G 8.53 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 16 P 0.00 4.45 0.00 1.86 1.90 0.00 3.42 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.67 0.00 17 Y 7.16 4.92 0.00 2.97 2.80 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 18 S 8.45 4.98 0.00 3.90 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 19 Q 8.74 4.36 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 20 A 7.49 4.88 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 21 I 8.63 5.01 1.97 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 1.15 0.76 1.04 0.00 0.00 22 K 9.33 5.13 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.69 7.81 23 A 8.78 4.95 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 24 G 9.06 3.77 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 0.00 25 N 8.97 4.77 0.00 2.54 2.55 0.00 0.00 6.77 8.13 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 26 F 8.44 5.26 0.00 3.24 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 27 L 8.91 4.80 0.00 0.49 0.89 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.32 4.95 0.00 3.01 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 29 I 8.66 4.73 2.01 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 1.14 0.89 0.98 0.00 0.00 30 A 8.60 4.30 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 31 G 8.69 3.69 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 0.00 0.00 0.00 32 Q 9.26 4.91 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 33 I 7.96 4.91 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 1.39 0.65 0.90 0.00 0.00 34 P 0.00 4.63 0.00 2.12 2.40 0.00 3.63 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 2.06 2.00 0.00 35 I 7.57 5.02 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 1.23 0.67 0.91 0.00 0.00 36 D 8.89 4.52 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.20 0.00 2.35 2.25 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 38 K 8.10 4.11 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 0.99 7.81 39 T 8.64 4.07 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 1.29 0.00 0.00 40 G 7.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 4.73 0.00 1.98 1.83 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 2.21 2.38 0.00 42 I 8.31 4.76 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 1.09 2.02 0.94 0.00 0.00 43 V 8.73 3.80 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 0.68 0.00 0.00 0.97 0.00 0.00 44 K 9.09 3.43 0.00 1.86 0.74 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.24 7.81 45 G 8.86 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 0.00 0.00 0.00 46 D 8.29 4.30 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.13 4.53 1.89 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 1.31 1.37 0.93 0.00 0.00 48 K 8.05 4.06 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.06 7.81 49 D 7.98 4.50 0.00 2.69 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 50 Q 7.83 3.99 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 51 T 8.15 3.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 52 R 7.89 3.72 0.00 2.05 2.10 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 53 Q 8.08 3.85 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 54 V 8.15 3.49 2.12 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 0.96 0.00 0.00 0.94 0.00 0.00 55 L 7.75 3.65 0.00 0.63 0.13 0.17 0.67 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 56 E 7.82 4.02 0.00 2.16 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 2.61 2.56 0.00 57 N 8.52 4.32 0.00 2.86 2.86 0.00 0.00 7.06 6.97 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 58 I 7.78 3.77 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.98 0.00 0.00 59 K 8.21 3.90 0.00 1.92 2.02 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.54 7.81 60 A 7.97 4.37 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 61 I 7.47 3.70 1.99 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 1.51 1.06 0.93 0.00 0.00 62 L 8.05 3.97 0.00 1.92 2.03 1.03 0.84 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 63 E 8.40 4.07 0.00 2.15 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 2.37 2.65 0.00 64 A 7.70 4.02 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 65 A 7.37 4.72 1.50 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 0.00 0.00 66 G 9.18 3.77 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 0.00 67 Y 8.09 4.70 0.00 3.05 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 68 S 8.53 4.76 0.00 4.02 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 69 L 8.35 4.34 0.00 1.79 1.98 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.11 4.94 0.00 2.88 2.96 0.00 0.00 6.34 8.06 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 71 D 7.92 4.69 0.00 3.12 3.10 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 72 V 7.55 4.17 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 0.81 0.00 0.00 1.16 0.00 0.00 73 I 8.39 4.28 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 1.04 0.00 0.00 74 K 7.74 5.06 0.00 1.77 1.58 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.38 7.81 75 V 9.08 4.85 1.80 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 0.86 0.00 0.00 0.57 0.00 0.00 76 T 9.01 4.81 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 0.63 0.00 0.00 77 V 8.58 4.74 2.03 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 1.08 0.00 0.00 1.01 0.00 0.00 78 Y 9.10 4.94 0.00 2.97 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 79 L 8.90 5.04 0.00 1.61 1.60 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.26 4.18 0.00 1.74 1.84 0.00 1.99 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 81 D 7.58 5.69 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 4.18 1.90 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 0.77 0.00 0.00 0.92 0.00 0.00 92 Y 8.20 4.08 0.00 3.13 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 93 A 8.47 4.20 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 94 E 7.81 3.79 0.00 2.02 1.63 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 2.29 2.43 0.00 95 Y 7.89 4.12 0.00 1.90 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 96 F 7.64 5.14 0.00 3.20 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 97 G 7.96 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 98 E 8.11 4.40 0.00 2.00 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 2.29 2.30 0.00 99 S 8.12 4.42 0.00 4.09 4.07 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 0.00 100 K 8.31 4.00 0.00 1.83 1.79 0.00 1.83 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.56 7.81 101 P 0.00 4.67 0.00 1.66 1.85 0.00 3.43 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 1.38 2.09 0.00 102 A 8.88 4.14 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 0.00 103 R 8.47 4.99 0.00 1.65 1.66 0.00 2.99 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 104 V 8.38 4.51 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 0.86 0.00 0.00 0.86 0.00 0.00 105 A 8.40 5.03 1.07 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 0.00 0.00 106 V 8.39 4.52 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 0.66 0.00 0.00 0.88 0.00 0.00 107 E 8.70 5.10 0.00 1.92 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 0.00 2.33 2.32 0.00 108 V 8.93 4.62 2.12 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 0.88 0.00 0.00 1.07 0.00 0.00 109 S 8.69 4.36 0.00 3.86 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 0.00 110 R 7.35 4.56 0.00 1.74 1.76 0.00 3.14 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 111 L 7.96 4.79 0.00 1.65 1.50 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.30 0.00 2.13 1.94 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 113 K 9.37 3.77 0.00 1.82 1.83 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 114 D 7.50 4.27 0.00 2.67 2.65 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 0.00 115 V 7.42 4.11 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 0.80 0.00 0.00 0.99 0.00 0.00 116 L 8.20 4.47 0.00 1.61 1.72 1.00 0.56 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 0.00 117 I 7.45 4.88 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.92 0.00 0.00 118 E 9.15 5.27 0.00 2.07 1.80 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 2.23 2.20 0.00 119 I 8.59 5.29 1.94 0.00 0.00 1.00 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 0.75 1.02 0.00 0.00 120 E 9.23 5.17 0.00 2.24 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 0.00 2.51 2.32 0.00 121 A 8.49 5.29 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 0.00 122 I 8.64 5.02 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.18 0.56 0.00 0.00 123 A 8.62 5.07 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 0.00 124 Y 8.81 5.02 0.00 2.56 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 0.00 125 K 7.21 4.04 0.00 1.23 1.22 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.55 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.94 0.94 7.81 126 E 8.30 3.70 0.00 1.85 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 2.32 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.