NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4367 8.1776 115.2948 58.4766 63.5528 173.9709 3 T 4.1819 8.5879 116.3615 61.9448 69.0420 175.1582 4 K 3.9388 8.0090 128.1965 60.2565 32.2654 184.5117 5 L 4.2169 8.1038 122.1613 58.8145 42.0671 179.4646 6 K 4.0784 8.0813 123.7934 59.9619 31.5759 180.7652 7 G 3.9175 8.1792 106.6189 47.8213 0.0000 175.0176 8 D 4.4314 8.2501 121.7501 57.3541 40.8718 179.2784 9 I 3.7618 8.2475 120.1938 64.1556 37.1020 178.3134 10 A 3.7086 8.1106 121.7486 55.0652 18.2167 179.4858 11 Q 3.9453 8.2747 118.0245 59.6606 29.2257 178.5967 12 Q 4.1319 8.1889 118.6992 58.5786 28.6517 178.7210 13 A 3.8833 7.9864 121.9383 54.9010 18.3808 179.3630 14 A 3.5997 8.1290 119.2434 55.4000 18.5964 179.5540 15 I 3.6490 8.1081 118.6353 65.0686 37.1646 178.1749 16 M 3.8803 7.8984 118.5323 58.6878 31.5138 178.4652 17 R 3.3203 7.6550 117.8809 58.7858 30.0668 178.8474 18 A 2.8717 7.1950 120.4100 54.8557 18.2832 179.7863 19 L 3.7917 7.4102 117.1615 57.5708 41.4148 179.7997 20 K 3.8700 7.6469 117.7627 58.3846 31.8103 177.6340 21 M 4.0027 6.2901 116.6300 54.4921 31.9859 176.5928 22 G 3.7688 7.6182 105.4665 45.7924 0.0000 174.4076 23 W 4.7928 7.4910 119.5788 56.0542 30.3524 175.9761 24 G 4.1739 8.9702 108.4818 45.3954 0.0000 173.0470 25 V 5.2090 8.3417 120.8888 60.8351 34.3372 174.6164 26 L 4.9878 9.1384 129.1721 53.4691 45.3497 176.3244 27 K 4.7853 8.5072 125.0763 52.5209 34.8781 173.6199 28 P 4.3179 0.0000 0.0000 61.4344 31.9818 176.0816 29 L 3.9854 8.3892 122.1213 55.2920 42.1260 178.1347 30 G 3.9488 8.6807 112.5229 45.2890 0.0000 172.5273 31 D 4.9249 8.2920 118.4749 54.2557 41.1980 178.4418 32 R 4.1580 7.7712 117.9453 58.1209 30.3768 179.1741 33 L 4.3297 7.4336 115.7726 54.3925 42.3943 176.7208 34 S 4.6056 8.4146 113.6416 58.7136 63.5043 173.3417 35 Y 4.7406 6.9317 117.8924 55.5658 40.8737 174.4816 36 D 4.6439 8.5457 119.7680 55.9190 42.4872 176.4629 37 L 5.1271 8.3868 116.8404 53.2599 47.2248 175.9686 38 V 4.5737 8.2709 119.5699 60.4256 34.7243 174.0028 39 F 5.5303 8.8733 124.7025 56.4023 41.2043 174.8753 40 D 4.8811 9.4518 124.0603 53.2745 41.5898 174.8196 41 V 3.7884 8.8702 127.1268 61.0634 32.3999 175.0620 42 E 3.9795 9.9059 127.3235 57.6778 27.3354 175.3831 43 G 4.0831 8.0482 110.6053 46.0303 0.0000 175.5552 44 I 4.0484 8.3335 122.0579 60.5645 38.4944 175.4357 45 L 4.9185 8.4674 127.3459 53.7201 42.6022 175.9050 46 L 4.7256 8.5328 125.0901 52.3896 44.0292 176.9109 47 K 4.2506 7.9424 123.5892 56.7083 33.0306 177.0420 48 V 4.3601 8.5717 121.1141 60.6638 35.1085 172.6324 49 Q 4.3776 8.1521 126.2581 54.6859 30.7447 174.1260 50 V 4.8961 8.5781 126.3197 61.2135 33.2783 174.8917 51 K 4.8817 9.1219 127.1531 54.6413 35.8884 175.8269 52 S 5.2962 8.7086 118.2544 57.1047 65.2621 173.1608 53 S 4.7113 8.4730 115.3411 56.1201 65.6926 173.2095 54 W 5.1222 7.8032 119.9217 55.0281 31.1226 175.6974 55 K 4.7277 8.9252 125.1145 55.1972 32.0052 177.3489 56 S 4.2375 9.0539 120.4473 57.8780 62.5902 174.0713 57 E 3.9813 9.1551 129.5529 60.2667 28.8838 179.0011 58 K 4.0865 7.2021 119.8769 56.9894 32.4960 179.2215 59 T 4.1675 7.4812 115.1847 61.6231 68.9297 175.2805 60 G 3.8245 8.2254 114.5389 45.5663 0.0000 171.4904 61 N 5.0312 7.4211 115.4594 51.4278 44.0083 174.4461 62 Y 5.3215 8.8899 116.8627 56.3386 41.6835 175.6583 63 V 4.9773 8.9092 122.0880 59.8021 35.1744 174.7529 64 V 4.2984 8.4298 122.0353 59.9231 34.2284 173.8356 65 D 5.1029 8.4476 124.1871 52.5077 43.2337 174.8833 66 N 5.0712 8.1202 121.3009 51.0196 39.8911 175.0403 67 R 4.5808 8.3793 121.8968 54.4327 31.6210 174.4840 *83 G 4.0176 7.7913 113.1474 44.1935 0.0000 174.0789 84 N 4.1651 9.2747 117.9406 53.8015 37.3911 175.2986 85 D 4.1049 9.2813 120.9447 53.7513 39.0605 171.2933 86 F 3.6076 8.1899 121.8147 57.1278 38.6961 175.3352 87 D 4.6315 8.2378 116.1853 55.2109 40.1761 173.3383 88 F 5.2277 9.2025 115.8217 56.3552 44.2952 173.3515 89 A 4.9567 9.2633 122.3140 50.6955 22.7860 175.4582 90 V 4.8765 9.0809 116.1851 59.4445 34.6973 174.6083 91 A 5.4879 9.7414 127.5457 50.4529 21.6817 174.5335 92 Y 4.7713 8.9104 123.7026 55.6045 41.7169 174.5891 93 V 3.7177 7.0338 125.3221 60.9770 33.3821 175.0829 94 E 3.5077 8.8182 129.4558 57.9625 30.0712 178.1923 95 E 3.9037 7.9274 120.0708 59.4381 29.7924 178.5427 96 L 4.3486 7.2617 124.2272 52.2755 40.8314 176.4835 97 E 4.2737 8.2033 124.6362 56.1573 26.9523 176.2233 98 L 4.9285 7.8866 121.5506 54.1604 45.1001 175.3995 99 F 5.4072 9.6658 118.2139 56.1100 42.4076 174.2321 100 Y 4.7499 9.2726 121.0021 56.3178 39.8140 175.1912 101 V 4.3113 7.6603 125.2308 60.1466 32.6804 175.2652 102 F 4.7714 9.1212 125.4131 54.6912 41.3695 174.3429 103 P 4.3730 0.0000 0.0000 62.0052 32.2209 177.4329 104 V 3.6161 8.4404 122.7561 65.2442 31.0042 178.2961 105 D 4.2646 7.9648 119.3502 56.1181 39.0000 178.3452 106 V 3.6001 7.7800 119.2342 65.3615 31.5084 177.4598 107 F 3.9700 8.0514 119.2531 61.2855 39.4344 177.0435 108 I 3.8296 7.9344 111.4073 62.9982 37.6926 177.2325 109 S 4.4308 7.7465 116.5234 58.1375 63.6346 173.3415 110 Y 4.5237 7.0144 117.6629 56.7628 41.0399 175.1080 111 G 3.6308 8.0621 110.1288 47.8169 0.0000 174.1267 112 S 4.4340 7.4545 112.7963 57.9440 67.5424 173.5586 113 E 4.6683 7.9805 128.7211 54.6085 30.1036 174.6352 114 I 3.7562 7.8776 126.0117 60.9678 39.0572 174.2303 115 H 5.3027 8.7726 126.0676 54.3035 30.8713 174.1658 116 L 4.7358 9.3882 122.0785 52.8706 44.9143 175.4916 117 V 4.8342 8.6588 123.2661 60.6186 32.6683 174.5813 118 E 4.7540 9.0958 127.5312 56.4035 31.4180 175.8316 119 T 4.0752 7.8497 112.1476 62.5210 68.5521 173.5695 120 D 4.6855 8.4366 128.5730 53.8177 39.6633 176.6798 121 K 4.4630 7.5653 116.5222 54.8011 32.9610 181.5498 122 R 4.1713 8.3991 125.6444 58.5350 29.1915 177.4250 123 Q 3.9736 9.0106 116.5753 56.3804 28.8260 177.0300 124 R 3.8942 8.4187 117.4223 56.1812 29.0651 177.7068 125 K 4.1324 8.2645 123.8908 54.9149 33.2806 175.4626 126 P 4.5206 0.0000 0.0000 62.2140 32.1264 176.9956 127 R 4.0706 8.8781 118.9835 59.8784 30.2844 178.2231 128 S 4.7424 8.8230 112.8847 62.1670 62.6898 176.0815 129 F 4.5273 8.4531 124.7153 61.1785 38.7650 177.1040 130 G 3.6439 8.1041 103.5146 46.4670 0.0000 173.4816 131 Y 4.5189 8.0221 118.8580 57.5179 37.9939 175.3914 132 R 3.2336 7.3866 120.5049 57.2674 30.0456 176.6250 133 E 3.6898 8.3036 122.0128 56.9054 28.5543 176.3748 134 A 4.1370 6.9499 117.1376 51.6393 16.0191 179.4283 135 W 4.1918 7.8584 124.1598 59.0706 29.6625 178.0012 136 H 4.4034 8.1049 115.4613 58.5249 28.0200 177.3847 137 L 4.0909 7.8019 121.9404 57.6424 41.3875 179.5023 138 I 3.0230 7.3724 119.2380 64.1078 37.0315 178.0190 139 L 3.9216 7.7458 121.1251 58.1617 41.8998 178.9511 140 Q 4.0012 8.7526 118.3626 59.0447 28.7326 178.6645 141 K 4.2865 8.4094 120.5860 59.3826 31.8920 179.1637 142 G 3.4574 7.8119 105.2906 47.7259 0.0000 175.4373 143 A 4.1374 8.3260 123.7943 54.6673 18.5140 179.6186 144 A 3.9684 8.6351 119.7186 55.1064 18.1256 179.5637 145 Q 4.0003 7.8861 117.7368 58.8502 28.7287 178.1828 146 K 3.9059 7.8330 119.1035 58.7207 31.8716 178.9343 147 E 4.0486 7.7732 118.0693 59.3116 29.5694 178.4162 148 T 3.9397 7.4018 114.1532 64.2021 68.8459 174.7354 149 S 4.1258 7.4800 121.7474 58.9804 63.4313 171.2471 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 S 8.18 4.44 0.00 3.89 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 3 T 8.59 4.18 4.38 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 1.30 0.00 0.00 4 K 8.01 3.94 0.00 1.83 1.89 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.34 7.81 5 L 8.10 4.22 0.00 1.78 1.74 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.08 4.08 0.00 1.82 1.82 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.35 7.81 7 G 8.18 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 0.00 0.00 0.00 8 D 8.25 4.43 0.00 2.94 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 9 I 8.25 3.76 2.09 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 1.50 0.88 1.01 0.00 0.00 10 A 8.11 3.71 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.27 3.95 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 12 Q 8.19 4.13 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 13 A 7.99 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.13 3.60 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 15 I 8.11 3.65 2.01 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 1.49 1.19 0.90 0.00 0.00 16 M 7.90 3.88 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 17 R 7.66 3.32 0.00 0.96 0.66 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 18 A 7.19 2.87 0.53 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 19 L 7.41 3.79 0.00 1.67 1.57 0.84 0.83 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 20 K 7.65 3.87 0.00 1.49 1.53 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 21 M 6.29 4.00 0.00 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 22 G 7.62 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 23 W 7.49 4.79 0.00 3.08 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 24 G 8.97 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 0.00 0.00 0.00 0.00 25 V 8.34 5.21 2.16 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 1.07 0.00 0.00 0.96 0.00 0.00 26 L 9.14 4.99 0.00 1.87 1.56 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.51 4.79 0.00 1.48 1.54 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.97 7.81 28 P 0.00 4.32 0.00 2.00 1.87 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 29 L 8.39 3.99 0.00 1.64 1.63 0.91 0.93 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 30 G 8.68 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 31 D 8.29 4.92 0.00 2.60 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 32 R 7.77 4.16 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 33 L 7.43 4.33 0.00 1.14 1.06 0.50 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.41 4.61 0.00 4.15 4.06 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 0.00 0.00 0.00 35 Y 6.93 4.74 0.00 2.96 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 36 D 8.55 4.64 0.00 2.51 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 37 L 8.39 5.13 0.00 1.45 1.22 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.27 4.57 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 0.94 0.00 0.00 0.83 0.00 0.00 39 F 8.87 5.53 0.00 2.78 2.84 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 40 D 9.45 4.88 0.00 2.75 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 41 V 8.87 3.79 1.74 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 0.12 0.00 0.00 0.04 0.00 0.00 42 E 9.91 3.98 0.00 2.07 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 2.30 2.28 0.00 43 G 8.05 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 44 I 8.33 4.05 1.89 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 1.19 0.93 0.86 0.00 0.00 45 L 8.47 4.92 0.00 1.46 1.56 0.91 0.96 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 46 L 8.53 4.73 0.00 1.43 1.64 0.93 0.96 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 47 K 7.94 4.25 0.00 1.70 1.11 0.00 1.59 0.00 0.00 1.14 0.00 0.00 2.59 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.79 7.81 48 V 8.57 4.36 1.71 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 -0.44 0.00 0.00 0.74 0.00 0.00 49 Q 8.15 4.38 0.00 1.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 50 V 8.58 4.90 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 0.99 0.00 0.00 0.95 0.00 0.00 51 K 9.12 4.88 0.00 1.77 1.66 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.65 7.81 52 S 8.71 5.30 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 53 S 8.47 4.71 0.00 3.91 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 54 W 7.80 5.12 0.00 3.39 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 55 K 8.93 4.73 0.00 1.57 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 56 S 9.05 4.24 0.00 3.88 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 57 E 9.16 3.98 0.00 1.98 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 2.28 2.26 0.00 58 K 7.20 4.09 0.00 1.77 1.59 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 0.99 7.81 59 T 7.48 4.17 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 60 G 8.23 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.42 5.03 0.00 2.59 2.84 0.00 0.00 6.75 7.48 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 62 Y 8.89 5.32 0.00 2.86 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 63 V 8.91 4.98 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 1.08 0.00 0.00 0.78 0.00 0.00 64 V 8.43 4.30 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 0.70 0.00 0.00 0.92 0.00 0.00 65 D 8.45 5.10 0.00 2.74 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 66 N 8.12 5.07 0.00 2.91 2.97 0.00 0.00 6.61 7.54 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 67 R 8.38 4.58 0.00 1.76 1.86 0.00 3.30 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 *83 G 7.79 4.02 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 0.00 0.00 0.00 84 N 9.27 4.17 0.00 2.82 2.85 0.00 0.00 5.95 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 85 D 9.28 4.10 0.00 3.01 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 86 F 8.19 3.61 0.00 3.30 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 87 D 8.24 4.63 0.00 2.63 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 88 F 9.20 5.23 0.00 3.10 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 89 A 9.26 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 9.08 4.88 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 0.34 0.00 0.00 0.94 0.00 0.00 91 A 9.74 5.49 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 92 Y 8.91 4.77 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.03 3.72 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.62 0.00 0.00 94 E 8.82 3.51 0.00 1.88 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 2.39 2.30 0.00 95 E 7.93 3.90 0.00 2.09 2.14 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 2.26 2.48 0.00 96 L 7.26 4.35 0.00 1.47 1.63 1.14 0.94 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 97 E 8.20 4.27 0.00 1.96 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 2.40 2.27 0.00 98 L 7.89 4.93 0.00 2.02 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.67 5.41 0.00 3.66 2.95 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 0.00 100 Y 9.27 4.75 0.00 2.96 2.45 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 0.00 101 V 7.66 4.31 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 0.00 0.00 0.03 0.00 0.00 0.52 0.00 0.00 102 F 9.12 4.77 0.00 3.14 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 0.00 103 P 0.00 4.37 0.00 2.14 1.73 0.00 3.54 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 2.29 2.36 0.00 104 V 8.44 3.62 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 0.90 0.00 0.00 0.66 0.00 0.00 105 D 7.96 4.26 0.00 2.87 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 0.00 106 V 7.78 3.60 2.20 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 0.86 0.00 0.00 1.03 0.00 0.00 107 F 8.05 3.97 0.00 3.14 3.15 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 0.00 108 I 7.93 3.83 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.78 0.00 0.00 109 S 7.75 4.43 0.00 3.95 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 0.00 110 Y 7.01 4.52 0.00 2.71 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 0.00 111 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 0.00 112 S 7.45 4.43 0.00 3.73 3.76 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 0.00 113 E 7.98 4.67 0.00 1.85 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 2.29 2.31 0.00 114 I 7.88 3.76 0.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.84 0.19 0.00 0.00 115 H 8.77 5.30 0.00 3.06 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.39 4.74 0.00 1.65 1.38 0.80 -0.20 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 0.00 117 V 8.66 4.83 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 0.97 0.00 0.00 1.04 0.00 0.00 118 E 9.10 4.75 0.00 2.24 2.20 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 2.34 2.47 0.00 119 T 7.85 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 1.23 0.00 0.00 120 D 8.44 4.69 0.00 2.67 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 0.00 121 K 7.57 4.46 0.00 1.72 1.75 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.02 7.81 122 R 8.40 4.17 0.00 1.92 2.06 0.00 3.40 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 1.65 0.00 123 Q 9.01 3.97 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 124 R 8.42 3.89 0.00 1.85 1.83 0.00 3.27 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 125 K 8.26 4.13 0.00 1.64 1.66 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.14 1.15 7.81 126 P 0.00 4.52 0.00 2.35 2.15 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 127 R 8.88 4.07 0.00 1.92 2.15 0.00 3.84 0.00 0.00 3.74 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 128 S 8.82 4.74 0.00 4.25 4.33 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 0.00 129 F 8.45 4.53 0.00 3.23 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 0.00 130 G 8.10 3.64 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 0.00 0.00 0.00 131 Y 8.02 4.52 0.00 2.95 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 0.00 132 R 7.39 3.23 0.00 1.33 1.45 0.00 2.61 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.98 0.00 133 E 8.30 3.69 0.00 2.01 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 2.38 2.64 0.00 134 A 6.95 4.14 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 0.00 135 W 7.86 4.19 0.00 3.37 3.33 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 0.00 136 H 8.10 4.40 0.00 3.47 3.66 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.80 4.09 0.00 1.81 2.04 1.21 1.01 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 0.00 138 I 7.37 3.02 1.99 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.90 0.27 0.00 0.00 139 L 7.75 3.92 0.00 1.85 1.90 1.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.75 4.00 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 141 K 8.41 4.29 0.00 2.27 2.05 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.63 7.81 142 G 7.81 3.46 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 0.00 143 A 8.33 4.14 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 0.00 144 A 8.64 3.97 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 0.00 145 Q 7.89 4.00 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 146 K 7.83 3.91 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 147 E 7.77 4.05 0.00 2.20 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 2.35 2.33 0.00 148 T 7.40 3.94 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 1.20 0.00 0.00 149 S 7.48 4.13 0.00 4.02 3.86 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 * Residues marked with a * may have inaccurate shift predictions.