NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 M 4.5635 8.1633 120.3362 55.2079 33.6963 176.7413 22 N 4.5646 8.2594 116.3514 53.9888 38.6649 171.1911 23 V 3.5879 8.3455 122.4404 66.0819 32.1820 177.5574 24 I 3.6469 7.6986 118.9093 64.4739 37.0504 177.5961 25 D 4.3393 8.2003 119.1657 57.9693 40.5762 178.0129 26 H 3.9524 8.4498 118.6002 59.7886 29.7092 177.4177 27 V 3.4209 7.7745 120.2436 64.6956 31.2266 178.0749 28 R 2.8800 8.2224 119.5794 59.1856 29.6131 178.2421 29 D 4.3090 8.0702 118.0025 57.1223 41.1760 178.4631 30 M 4.0321 7.9686 119.5047 58.2580 32.0594 178.5273 31 A 3.7798 7.9052 120.9245 55.0363 18.3170 179.2590 32 A 4.0620 7.6114 116.6536 53.8064 18.6244 178.5041 33 A 4.3801 7.5544 117.5735 51.5478 19.4871 178.0701 34 G 3.7508 7.6093 105.4258 45.8314 0.0000 175.7099 35 L 4.3195 7.1437 121.6374 53.8810 38.8380 176.7174 36 H 4.2039 7.9612 119.9490 58.4281 29.4101 176.8877 37 S 4.2677 8.2302 116.7895 62.0540 62.6810 176.6119 38 N 4.3231 8.0862 118.0183 56.2252 38.3020 177.2511 39 V 3.5275 7.3990 119.6256 66.3009 31.6415 177.6023 40 R 4.1804 8.7325 120.1956 58.8371 29.9527 177.8243 41 L 3.9452 7.9070 119.3224 58.2241 42.0860 179.0811 42 L 4.0642 7.9846 120.1560 58.2418 42.1644 179.0362 43 S 4.1667 8.8785 115.3830 61.2825 62.6641 176.5909 44 S 3.9436 7.9189 117.6082 61.0028 62.8850 176.4463 45 L 3.9541 7.5139 121.1962 57.5293 41.3597 179.2552 46 L 4.0968 7.9918 118.8271 57.9524 41.5674 179.5176 47 L 4.0081 7.9623 118.9344 58.2771 41.1780 179.9037 48 T 3.9655 8.2888 109.6305 64.4969 68.7029 176.7008 49 L 4.0121 8.1951 122.3172 57.6615 41.3799 179.0494 50 S 4.0947 8.3760 112.2702 61.7812 62.4909 175.6925 51 N 4.3075 8.1262 118.2861 56.5045 38.4077 176.8277 52 N 4.6189 7.7190 115.8224 55.2369 40.1993 176.1690 53 N 4.8355 7.7643 121.1698 50.7704 37.8663 173.4863 54 P 4.5594 0.0000 0.0000 63.6754 31.6432 177.5366 55 E 4.5814 7.7909 116.7725 56.3884 30.1893 176.7401 56 L 3.8320 8.2535 122.8065 57.6258 42.1839 177.0670 57 F 5.2392 7.5950 114.8518 55.5235 41.6064 175.2848 58 S 4.6511 10.1008 118.3594 57.0396 64.5042 173.6118 59 P 4.2452 0.0000 0.0000 65.5619 30.9105 177.0943 60 P 4.3827 0.0000 0.0000 65.7237 31.1816 178.5507 61 Q 3.9866 8.7407 118.5353 58.8190 28.6753 178.4741 62 K 3.9017 8.0912 119.0513 59.5689 32.1076 178.3548 63 Y 4.1455 8.1260 119.7174 60.8837 38.5505 178.4003 64 Q 3.2637 7.6255 118.4907 58.6538 28.7859 178.6039 65 L 3.9514 7.5704 119.8310 57.8882 41.7050 179.2713 66 L 3.8429 7.7320 118.6172 58.0006 41.6091 179.7856 67 V 3.3593 7.1452 117.4275 66.3355 31.4244 177.5737 68 Y 4.3986 7.5381 116.5853 61.3810 37.6837 178.3764 69 H 4.1386 8.6982 119.2033 59.1583 30.0038 176.8763 70 A 3.5281 8.1585 122.8596 55.2787 17.8609 179.0466 71 D 4.6931 8.7433 118.9660 56.9621 40.4355 179.5362 72 S 4.1342 8.2398 114.4100 61.4276 63.0014 176.2705 73 L 3.8542 8.2496 123.2251 57.3803 41.2934 179.2536 74 F 3.8195 8.7851 120.6544 61.6564 39.1265 176.5468 75 H 4.2006 8.4417 116.6757 59.3182 29.7122 176.1343 76 D 4.3781 7.8440 117.5627 53.8594 40.9240 176.2083 77 K 2.6448 7.4989 118.1633 57.8984 29.8863 177.4558 78 E 4.3349 7.1207 119.5450 54.9931 27.8757 175.4686 79 Y 4.0948 7.5858 120.9479 60.6307 38.3357 177.3404 80 R 3.9090 8.0029 119.2223 59.5402 30.1999 178.0476 81 N 4.2854 8.1827 115.5560 56.2694 38.4653 176.9731 82 A 3.7950 8.0474 122.0146 55.1032 18.4241 179.5385 83 V 3.5549 8.0930 117.3396 66.4855 31.5112 178.3876 84 S 4.2045 7.8854 113.3693 60.7008 62.9607 176.7150 85 K 3.8681 7.6036 122.7600 59.7058 31.7815 178.6796 86 Y 4.3539 7.8777 117.2099 61.4730 37.7178 179.1542 87 T 3.9529 8.3053 116.7035 67.0726 68.7658 176.6599 88 M 4.1147 8.1076 120.3276 58.3608 31.9133 178.7434 89 A 4.1457 8.5083 121.4384 55.1398 18.5824 179.7288 90 L 4.1130 8.2774 117.6363 57.9180 41.4846 179.4860 91 Q 4.0495 7.9353 117.3573 59.1297 28.9036 178.6046 92 Q 4.1100 8.0453 120.1361 59.0157 28.6919 177.8831 93 K 3.5085 8.2626 120.6905 59.1499 31.9125 177.9967 94 K 4.2552 7.7345 115.2798 56.9250 32.3001 177.0803 95 A 4.5971 7.9258 122.1558 52.0519 20.0923 177.7846 96 L 4.5681 6.7605 115.6613 55.3981 41.1439 177.6554 *117 C 4.5926 8.8368 122.6007 60.6253 29.5667 174.1485 118 L 4.0790 7.9877 118.6693 54.2962 41.4099 175.3002 119 P 4.4106 0.0000 0.0000 63.1946 32.0073 176.7669 120 S 4.3987 9.7257 118.5371 57.9086 64.8983 175.0054 121 E 3.9071 8.8191 125.9701 59.7101 29.4247 179.4674 122 I 3.7167 7.7703 119.2510 64.4874 37.3073 178.1983 123 E 4.0237 8.0014 118.1728 59.1590 29.2979 179.4010 124 V 3.3291 7.8180 119.2956 65.8792 31.6061 177.9521 125 K 3.8931 8.3676 118.6627 59.6947 31.7788 178.6330 126 Y 3.9608 8.2761 119.9023 60.7103 38.7269 178.2220 127 K 3.5262 7.8189 119.3892 59.0539 32.0118 178.8616 128 L 3.6257 7.7479 120.7491 58.2321 41.8555 179.0316 129 A 4.1268 8.0238 120.7009 55.1295 18.2665 179.4178 130 E 3.7402 7.9157 117.2933 59.5895 29.5185 179.3043 131 C 4.1842 8.2740 116.7875 63.2425 28.1979 175.6812 132 Y 4.3746 7.6982 118.1189 61.6096 37.3984 179.1403 133 T 3.8406 8.1025 116.7032 66.6406 68.3271 176.9761 134 V 3.4137 7.4435 119.0496 65.6363 31.5209 177.3651 135 L 4.1752 7.6512 115.3883 54.3391 41.3854 176.9906 136 K 3.9452 7.6676 117.1771 57.7064 30.7993 177.0911 137 Q 4.3784 7.9928 120.2399 55.1996 25.3443 175.2175 138 D 4.3691 7.7301 123.6885 57.0192 41.4800 178.3200 139 K 3.8802 7.8923 119.8913 59.6121 32.3891 178.4427 140 D 4.0797 7.7336 118.3951 56.6616 40.6712 178.3141 141 A 4.0636 7.5381 121.0116 55.3075 18.3803 179.4520 142 I 3.5526 7.9465 117.9466 64.5189 37.0200 178.3217 143 A 4.0640 7.8327 121.2350 55.4822 17.9920 179.7879 144 I 3.7131 7.3598 116.2080 64.4027 37.3592 178.5148 145 L 4.1719 7.9458 119.7897 57.8104 41.4715 178.8575 146 D 4.4940 8.7556 117.2893 56.8199 41.1335 177.9150 147 G 3.8885 7.5302 104.5246 45.4423 0.0000 173.6981 148 I 4.0626 7.4016 123.0609 59.7767 37.7932 174.0500 149 P 4.2713 0.0000 0.0000 62.8364 32.0756 176.9648 150 S 4.1518 9.0607 117.2251 61.7959 62.7713 176.7317 151 R 3.8600 8.1159 118.6544 58.6394 29.7524 177.2281 152 Q 4.4167 7.8371 113.3312 55.5910 29.1703 175.7387 153 R 4.1699 8.0267 119.6191 55.8970 30.8928 177.2050 154 T 4.3353 8.1930 113.3423 60.0771 71.5381 173.8666 155 P 4.1667 0.0000 0.0000 65.9731 31.3850 178.6824 156 K 3.8895 7.9931 116.4550 59.8496 31.8766 178.9146 157 I 3.9137 7.5580 119.1379 64.6974 37.1180 178.3951 158 N 4.3488 8.7116 117.6247 56.3047 38.1461 177.1848 159 M 3.9944 8.7825 120.2089 58.4938 32.3653 178.0356 160 L 3.9360 7.9273 120.3739 58.0717 42.3056 178.6475 161 L 3.5396 7.9654 118.7374 57.8953 41.3799 179.3307 162 A 4.1097 7.5589 118.7929 55.5122 18.4765 179.1534 163 N 4.4596 7.9152 114.9534 56.3354 38.4513 177.7170 164 L 4.0293 7.6169 119.3575 57.4320 41.7138 178.4239 165 Y 4.6840 7.4599 115.1654 59.3737 38.0966 175.6266 166 K 4.2249 7.6749 123.7502 56.6250 32.1834 176.6573 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 21 M 8.16 4.56 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 22 N 8.26 4.56 0.00 2.83 2.88 0.00 0.00 6.63 6.79 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 23 V 8.35 3.59 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 1.10 0.00 0.00 1.04 0.00 0.00 24 I 7.70 3.65 1.88 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.62 0.96 0.00 0.00 25 D 8.20 4.34 0.00 2.83 2.74 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 26 H 8.45 3.95 0.00 3.26 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.77 3.42 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 0.83 0.00 0.00 0.78 0.00 0.00 28 R 8.22 2.88 0.00 1.86 2.06 0.00 3.20 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 29 D 8.07 4.31 0.00 2.67 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 30 M 7.97 4.03 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 31 A 7.91 3.78 1.06 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 0.00 0.00 32 A 7.61 4.06 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 33 A 7.55 4.38 1.30 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 0.00 0.00 34 G 7.61 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.14 4.32 0.00 1.65 1.57 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.96 4.20 0.00 3.19 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.23 4.27 0.00 3.86 3.96 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 38 N 8.09 4.32 0.00 2.78 2.87 0.00 0.00 6.63 7.68 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 39 V 7.40 3.53 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 1.02 0.00 0.00 0.88 0.00 0.00 40 R 8.73 4.18 0.00 1.89 2.08 0.00 3.24 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 41 L 7.91 3.95 0.00 1.96 1.67 0.92 0.37 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 42 L 7.98 4.06 0.00 1.93 1.83 0.93 0.93 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 43 S 8.88 4.17 0.00 4.05 4.18 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 44 S 7.92 3.94 0.00 4.01 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 45 L 7.51 3.95 0.00 1.97 1.78 1.00 0.59 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 46 L 7.99 4.10 0.00 1.84 1.78 0.90 0.64 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 47 L 7.96 4.01 0.00 1.76 1.69 0.81 0.49 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 48 T 8.29 3.97 4.25 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 0.00 0.00 0.00 1.31 0.00 0.00 49 L 8.20 4.01 0.00 2.09 1.79 0.95 0.61 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 50 S 8.38 4.09 0.00 4.19 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 0.00 51 N 8.13 4.31 0.00 2.95 2.90 0.00 0.00 7.21 7.52 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 52 N 7.72 4.62 0.00 2.83 2.86 0.00 0.00 6.94 7.88 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 53 N 7.76 4.84 0.00 2.70 2.68 0.00 0.00 6.87 8.17 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 54 P 0.00 4.56 0.00 2.19 2.18 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 55 E 7.79 4.58 0.00 1.93 1.95 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 2.21 2.25 0.00 56 L 8.25 3.83 0.00 1.35 1.48 0.57 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.59 5.24 0.00 3.12 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 58 S 10.10 4.65 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 59 P 0.00 4.25 0.00 2.19 2.19 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 60 P 0.00 4.38 0.00 2.30 2.32 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 61 Q 8.74 3.99 0.00 2.46 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 62 K 8.09 3.90 0.00 2.00 1.91 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.66 1.77 7.81 63 Y 8.13 4.15 0.00 3.00 3.14 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 64 Q 7.63 3.26 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 65 L 7.57 3.95 0.00 1.75 1.64 0.59 0.59 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 66 L 7.73 3.84 0.00 1.71 1.63 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.15 3.36 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 0.94 0.00 0.00 0.29 0.00 0.00 68 Y 7.54 4.40 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 69 H 8.70 4.14 0.00 3.25 3.39 0.00 5.80 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 70 A 8.16 3.53 0.03 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 0.00 0.00 71 D 8.74 4.69 0.00 2.97 2.87 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 72 S 8.24 4.13 0.00 4.09 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 0.00 73 L 8.25 3.85 0.00 1.66 1.63 0.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.79 3.82 0.00 3.26 3.25 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 0.00 0.00 0.00 0.00 75 H 8.44 4.20 0.00 2.97 3.38 0.00 6.00 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.84 4.38 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 2.64 0.00 1.65 1.67 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 1.12 7.81 78 E 7.12 4.33 0.00 1.84 1.76 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 2.13 2.16 0.00 79 Y 7.59 4.09 0.00 2.96 2.92 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 80 R 8.00 3.91 0.00 1.97 1.95 0.00 3.28 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 81 N 8.18 4.29 0.00 2.86 2.80 0.00 0.00 6.97 7.04 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 82 A 8.05 3.79 1.51 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 0.00 0.00 83 V 8.09 3.55 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 1.01 0.00 0.00 0.62 0.00 0.00 84 S 7.89 4.20 0.00 4.06 4.12 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 85 K 7.60 3.87 0.00 1.60 1.67 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.54 7.81 86 Y 7.88 4.35 0.00 3.09 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 87 T 8.31 3.95 4.44 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 1.28 0.00 0.00 88 M 8.11 4.11 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 89 A 8.51 4.15 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 90 L 8.28 4.11 0.00 1.94 1.79 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.94 4.05 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 92 Q 8.05 4.11 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 93 K 8.26 3.51 0.00 1.97 1.69 0.00 1.54 0.00 0.00 1.36 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.35 7.81 94 K 7.73 4.26 0.00 1.92 1.83 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 95 A 7.93 4.60 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 96 L 6.76 4.57 0.00 1.54 0.94 0.66 0.81 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 *117 C 8.84 4.59 0.00 3.04 3.08 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 0.00 118 L 7.99 4.08 0.00 1.70 1.85 0.90 1.13 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 0.00 119 P 0.00 4.41 0.00 1.97 2.00 0.00 3.67 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 1.65 2.04 0.00 120 S 9.73 4.40 0.00 4.01 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 0.00 121 E 8.82 3.91 0.00 2.06 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 0.00 2.42 2.47 0.00 122 I 7.77 3.72 1.87 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 1.70 0.39 0.90 0.00 0.00 123 E 8.00 4.02 0.00 2.13 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 0.00 2.50 2.32 0.00 124 V 7.82 3.33 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 1.06 0.00 0.00 0.99 0.00 0.00 125 K 8.37 3.89 0.00 2.07 1.89 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.63 7.81 126 Y 8.28 3.96 0.00 2.98 3.08 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 0.00 127 K 7.82 3.53 0.00 1.14 1.16 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.49 7.81 128 L 7.75 3.63 0.00 1.56 1.69 0.63 1.14 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 0.00 129 A 8.02 4.13 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 0.00 130 E 7.92 3.74 0.00 2.07 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 2.03 1.59 0.00 131 C 8.27 4.18 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.70 4.37 0.00 3.18 3.07 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 0.00 133 T 8.10 3.84 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 0.00 134 V 7.44 3.41 1.30 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 0.09 0.00 0.00 0.60 0.00 0.00 135 L 7.65 4.18 0.00 1.89 1.73 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.67 3.95 0.00 1.88 1.87 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.31 7.81 137 Q 7.99 4.38 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 138 D 7.73 4.37 0.00 2.79 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 0.00 139 K 7.89 3.88 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.49 7.81 140 D 7.73 4.08 0.00 1.59 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 0.00 0.00 0.00 141 A 7.54 4.06 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 0.00 142 I 7.95 3.55 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.14 1.03 0.00 0.00 143 A 7.83 4.06 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 0.00 144 I 7.36 3.71 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 0.99 0.00 0.00 145 L 7.95 4.17 0.00 1.69 1.71 0.88 1.03 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 0.00 146 D 8.76 4.49 0.00 2.68 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 0.00 147 G 7.53 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 0.00 0.00 0.00 148 I 7.40 4.06 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.93 0.00 0.00 149 P 0.00 4.27 0.00 2.18 2.01 0.00 3.63 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 150 S 9.06 4.15 0.00 4.01 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 0.00 151 R 8.12 3.86 0.00 1.82 2.08 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 152 Q 7.84 4.42 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 153 R 8.03 4.17 0.00 1.79 1.95 0.00 3.18 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 154 T 8.19 4.34 4.15 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 1.15 0.00 0.00 155 P 0.00 4.17 0.00 2.14 2.14 0.00 3.58 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 2.09 2.18 0.00 156 K 7.99 3.89 0.00 1.49 1.29 0.00 1.12 0.00 0.00 0.94 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 157 I 7.56 3.91 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.57 0.96 0.00 0.00 158 N 8.71 4.35 0.00 2.80 2.89 0.00 0.00 6.71 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 M 8.78 3.99 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 160 L 7.93 3.94 0.00 2.07 1.74 0.67 0.61 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 0.00 161 L 7.97 3.54 0.00 1.77 1.35 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.56 4.11 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 0.00 163 N 7.92 4.46 0.00 2.90 2.85 0.00 0.00 6.99 6.64 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 0.00 164 L 7.62 4.03 0.00 1.41 1.58 0.81 0.69 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 0.00 165 Y 7.46 4.68 0.00 3.13 2.89 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 0.00 166 K 7.67 4.22 0.00 1.76 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.64 7.81 * Residues marked with a * may have inaccurate shift predictions.