NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2734 8.3149 120.1347 56.2215 33.4665 175.0670 6 K 4.2536 8.4644 122.6086 54.0329 34.3248 170.7009 7 V 4.2109 8.2677 120.8723 61.5368 33.8478 173.5281 8 L 5.0865 8.4767 130.5000 53.3009 43.8468 175.1628 9 L 5.1204 8.8888 126.5281 52.0662 44.5093 175.2132 10 K 4.9717 8.8244 125.4525 55.2130 34.1026 175.1288 11 V 5.0336 9.1215 127.2766 61.0197 34.9639 174.0921 12 I 5.2633 8.4540 119.7104 59.2110 40.9722 174.1359 13 I 5.0370 8.5836 124.3417 59.7046 39.8463 174.7209 14 L 4.6494 10.4062 126.4979 52.2042 45.5503 175.6527 15 G 3.7936 6.5074 109.0824 43.3555 0.0000 172.6219 16 D 4.8054 8.1172 120.6006 53.9153 41.5167 176.3852 17 S 4.1333 8.5795 116.3413 60.1054 62.7339 174.6968 18 G 4.0295 9.0051 114.9673 45.6639 0.0000 174.4394 19 V 3.7819 7.2727 112.7668 62.2969 31.9958 176.7588 20 G 4.1905 8.5667 109.1006 45.7061 0.0000 175.8685 21 K 3.9548 8.5655 120.8163 59.7687 32.0156 179.1105 22 T 4.0237 7.9113 115.2122 66.8541 68.3843 176.7606 23 S 4.1852 8.0672 116.5138 61.6083 62.9694 176.5725 24 L 4.1192 8.3480 122.0120 57.9159 41.3498 179.2617 25 M 3.9070 8.1733 118.1475 58.7756 32.1508 178.1070 26 N 4.2933 8.3497 116.7424 56.1768 38.6958 177.1798 27 Q 4.0684 8.5495 121.4674 59.3068 28.9405 177.8096 28 Y 3.9808 7.6887 119.1224 60.8282 38.9061 177.8338 29 V 3.3295 7.5288 117.6701 64.9025 31.7785 176.1548 30 N 4.7388 8.1130 112.8049 51.7912 40.0879 174.3632 31 K 4.6964 7.8514 115.9772 56.2730 30.3130 174.9471 32 K 4.6975 7.9662 116.6540 54.4092 35.3832 174.5605 33 F 4.9067 8.6656 125.4311 56.4794 41.4851 172.8048 34 S 4.0021 6.9489 118.9748 59.2140 64.7885 174.1707 *43 A 4.3535 7.7474 126.2148 51.3524 20.8949 175.2554 44 D 5.1522 7.5129 113.1841 51.6525 43.3392 174.4988 45 F 5.1571 7.5086 111.7918 55.9024 40.5242 173.2666 46 L 4.9232 8.8552 119.6102 53.1093 45.2914 175.5612 47 T 5.2578 8.3572 110.2605 60.0407 71.8844 173.1982 48 K 4.5536 9.0032 124.5731 55.0436 36.0477 174.5774 49 E 4.8327 8.7914 127.0015 55.8760 30.5158 175.9976 50 V 4.5771 9.0594 123.6663 61.4527 35.7182 173.6554 51 M 4.9352 8.6491 124.8495 53.8146 33.8713 175.9682 52 V 4.2153 9.0307 123.8049 61.6319 34.1413 177.3260 53 D 4.4923 9.1645 131.6080 55.6770 38.8661 174.7360 54 D 4.9072 9.3887 122.8829 54.6443 42.3585 175.1924 55 R 4.4955 8.0404 120.2979 54.4784 31.4461 175.0039 56 L 4.8646 8.3435 125.1072 54.5237 43.2142 175.9417 57 V 4.7517 9.0486 118.3053 60.1384 36.9143 174.1104 58 T 4.9599 8.8910 119.4154 62.1726 70.9353 173.0330 59 M 4.7945 9.3318 127.4110 54.2412 34.3978 174.4253 60 Q 4.8557 9.3037 128.1604 54.7155 31.1773 173.8655 61 I 4.9727 8.9809 129.1282 59.7934 39.3665 174.9130 62 W 5.4234 9.8324 127.9505 55.2058 31.8152 174.5952 63 D 5.3083 9.0041 124.7099 53.2059 42.5815 175.5239 64 T 4.7435 7.8100 112.6856 59.9426 71.7288 173.1171 *72 S 4.3207 8.3304 115.4200 58.4527 63.0431 173.0566 73 L 4.2421 8.7010 121.6489 54.2901 42.3688 177.2656 74 G 4.1574 8.2791 107.8801 45.9654 0.0000 174.4469 75 V 3.6667 8.7798 121.8094 66.3352 31.2451 178.4339 76 A 3.9546 8.1395 119.3321 54.8514 17.8885 179.2063 77 F 3.8379 7.8978 118.8255 61.6157 39.6719 176.6460 78 Y 3.9255 7.7472 115.7474 60.8117 37.6794 177.6782 79 R 3.8991 8.1415 119.0233 59.1037 30.1637 177.8354 80 G 3.7561 7.3900 102.5868 43.9930 0.0000 173.5547 81 A 4.3684 7.5441 124.5091 52.1801 19.1709 177.4965 82 D 4.8115 9.1828 120.9672 55.4101 42.9233 176.0303 83 C 4.4873 7.8196 117.3631 58.2017 35.4888 171.8281 84 C 4.8750 8.6306 126.4675 57.6438 33.3245 172.3583 85 V 4.6865 8.9483 127.4902 61.6845 33.0565 174.3315 86 L 5.1897 9.2858 128.1096 52.9681 44.1430 175.4930 87 V 5.0632 8.5445 124.0898 61.0367 34.0882 174.3297 88 F 5.1408 8.7640 121.1258 55.2885 42.3739 172.5953 89 D 5.1471 9.1508 118.9377 52.4930 42.4263 177.4730 90 V 3.9837 8.7816 120.5431 63.6894 31.7064 177.5677 91 T 4.4263 8.5440 108.9930 61.4701 69.4534 174.9472 92 A 4.6168 8.1554 126.1603 48.8442 19.6368 174.3430 93 P 4.3562 0.0000 0.0000 66.3857 31.1494 177.9201 94 N 4.4291 8.2611 115.5242 56.1337 36.9879 177.1341 95 T 4.8669 7.9831 112.3729 63.6772 69.4142 176.1549 96 F 3.8961 8.0615 123.4515 60.7053 39.2256 177.2551 97 K 3.8045 7.7681 117.6786 58.9101 32.1231 178.4820 98 T 4.1471 7.4383 107.1071 62.4021 69.0428 176.4734 99 L 3.9916 7.2958 122.8995 58.1959 41.3507 178.9793 100 D 4.6387 7.8462 118.6000 57.3108 40.8532 178.6952 101 S 4.0426 7.9297 114.3721 61.2288 62.9598 176.5350 102 W 4.2722 8.1039 122.6269 59.3845 28.8268 178.4823 103 R 3.9646 8.4098 118.7549 59.6800 29.5635 178.3277 104 D 4.3841 8.5291 119.0892 57.2909 40.7332 178.3962 105 E 3.8594 8.3780 119.8864 59.1739 29.6258 178.6306 106 F 3.9779 8.4550 120.7140 61.2746 39.4202 176.9862 107 L 3.9083 8.3409 118.6405 57.9039 41.1916 179.6910 108 I 3.6117 7.5187 118.6282 64.3881 37.1032 178.2847 109 Q 3.8935 7.7015 117.6448 58.6819 28.6329 178.0559 110 A 3.8423 7.5942 120.4372 52.0978 19.3813 177.2896 111 S 3.5770 7.9371 113.3886 58.6970 61.0770 171.0607 112 P 4.3972 0.0000 0.0000 62.5775 31.9785 177.1854 113 R 4.0637 8.5424 116.7462 58.5840 30.1184 176.3423 114 D 4.8134 7.6640 117.4421 50.7379 41.3830 173.1234 115 P 4.3575 0.0000 0.0000 65.5689 31.8377 178.3130 116 E 4.2595 8.1811 114.0584 57.7296 29.6526 176.7714 117 N 4.9256 8.0569 114.6583 52.4256 40.2280 174.7347 118 F 3.9405 7.7203 121.0441 57.4666 40.1197 172.6034 119 P 4.3287 0.0000 0.0000 62.7518 31.9548 175.0027 120 F 5.4008 8.8217 123.1370 55.5779 42.0977 175.3956 121 V 4.7026 8.6098 120.4209 61.3732 34.9579 174.0826 122 V 5.0437 8.9931 127.7873 61.3458 34.0239 174.1398 123 L 5.0440 9.2233 128.1154 52.9899 44.4178 175.8958 124 G 3.1672 8.8727 113.2556 44.7967 0.0000 172.3538 125 N 5.1223 8.3011 126.0579 51.5054 41.6476 174.7595 126 K 4.3888 8.7744 117.7301 57.9131 28.8352 178.4649 127 I 3.8333 7.5381 113.5660 62.9141 37.4791 176.7335 128 D 4.3138 7.9856 120.8569 55.3568 39.3496 175.6829 129 L 4.5620 7.9803 121.4731 52.9439 40.5914 176.5400 130 E 4.0524 8.8021 122.7792 59.4994 29.8268 178.4567 131 N 4.7158 7.3515 117.8927 51.8398 37.5962 175.5028 132 R 4.1199 7.5929 114.4731 56.7057 30.5053 177.0158 133 Q 4.4685 8.9804 117.7480 55.6504 30.6713 175.9399 134 V 4.1374 7.6051 117.2699 60.5620 33.4805 175.4996 135 A 4.2198 8.1760 128.8863 51.8759 20.3189 178.1700 136 T 4.1011 8.4314 121.6262 66.2004 68.7047 176.9165 137 K 4.1852 8.0043 122.1814 58.8661 32.1490 178.6369 138 R 3.8512 7.7931 118.2895 59.2972 30.1207 178.2331 139 A 3.9413 7.5557 120.3028 55.1842 17.8303 179.6237 140 Q 3.7453 8.2327 116.7813 58.8746 28.7068 178.9716 141 A 4.0760 8.1678 121.9343 54.7765 16.8449 179.3764 142 W 4.0102 8.2896 126.8858 60.9343 30.8270 178.0470 143 C 4.3180 8.4128 116.6542 62.9767 27.6035 175.4051 144 Y 4.0370 8.4813 121.8369 60.5348 38.2031 177.7047 145 S 4.2371 8.0271 112.4053 59.0588 64.0963 174.3060 146 K 4.2172 6.6238 121.1290 56.0092 32.0133 175.1697 147 N 3.7772 8.2536 109.3465 54.7606 37.8576 172.4050 148 N 4.0689 7.5602 108.7449 54.3347 37.5449 174.1840 149 I 4.0366 7.6373 118.6020 60.7612 38.3904 176.2213 150 P 4.4821 0.0000 0.0000 62.8627 32.5726 174.5364 151 Y 5.4595 8.2430 123.7071 55.9268 41.6908 174.5222 152 F 4.4955 8.5706 123.6707 55.5664 43.7252 173.3212 153 E 4.9349 8.4949 121.8107 54.8906 31.2104 175.1160 154 T 4.9240 8.8701 114.0108 59.9457 73.4381 173.0259 155 S 4.5795 8.7316 115.5552 56.4836 64.7600 174.3780 156 A 4.0460 8.9250 131.9644 54.9043 18.6560 179.5724 157 K 2.0000 7.7878 116.0924 58.6852 32.1723 177.3114 158 E 4.2494 7.9109 114.4360 55.0831 29.7722 175.5796 159 A 3.6855 7.1126 119.1502 53.2439 16.7417 178.0925 160 I 4.2095 7.7124 121.4815 61.7649 38.8806 176.5868 161 N 4.0681 8.9358 120.2504 54.1396 36.7791 176.2942 162 V 3.6462 7.6569 119.3782 66.2293 31.6670 177.8992 163 E 4.1860 8.1742 117.9360 59.3359 29.2361 178.9040 164 Q 3.8463 8.0097 118.9582 59.0035 29.1578 178.0623 165 A 2.0000 7.5669 121.5579 54.7022 18.3838 179.7582 166 F 3.4851 7.8175 115.7938 60.0562 38.6919 178.0504 167 Q 4.0663 7.8599 118.3045 59.1885 28.3814 178.7424 168 T 3.9584 7.4646 116.9598 66.3736 68.4133 176.9315 169 I 3.5450 7.5605 121.6594 64.2580 37.0732 178.2009 170 A 3.9807 8.3160 121.8301 55.2909 18.2678 179.6697 171 R 3.8270 8.0278 117.1255 59.7238 30.1768 178.4732 172 N 4.3781 8.5313 116.2647 55.8608 38.5165 177.3996 173 A 4.2438 8.1594 124.0612 54.4153 18.3604 179.3956 174 L 3.9147 8.1019 118.9922 58.1921 42.1491 179.3345 175 K 3.9305 8.0483 118.4602 59.4665 31.9843 179.1517 176 Q 3.8382 7.9163 119.7029 59.1531 28.9305 177.7356 177 E 3.9544 8.5519 120.7947 59.5285 29.6219 178.9451 178 T 3.8455 8.2546 116.1394 66.5229 68.5147 175.9756 179 E 4.0694 8.1502 121.2443 59.5025 29.5318 179.0945 180 V 3.6507 7.9399 117.9562 66.1866 31.1041 177.9008 181 E 3.9792 8.4631 118.4716 59.4609 29.1112 179.3891 182 L 4.0230 8.4343 118.3320 56.7753 41.6246 177.5814 183 Y 4.3558 7.5022 113.5219 56.7220 39.0132 175.5920 184 N 4.1310 7.5969 116.1318 54.6901 37.7071 173.9007 185 E 4.2336 8.5621 122.2709 56.8063 29.5818 177.3044 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 5 K 8.31 4.27 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 6 K 8.46 4.25 0.00 1.82 1.73 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.50 7.81 7 V 8.27 4.21 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 1.07 0.00 0.00 0.94 0.00 0.00 8 L 8.48 5.09 0.00 1.67 1.55 0.99 1.00 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 L 8.89 5.12 0.00 1.64 1.56 0.94 0.85 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 10 K 8.82 4.97 0.00 1.85 1.80 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 11 V 9.12 5.03 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 1.04 0.00 0.00 0.99 0.00 0.00 12 I 8.45 5.26 1.97 0.00 0.00 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 1.20 0.94 0.42 0.00 0.00 13 I 8.58 5.04 1.98 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.95 0.00 0.00 14 L 10.41 4.65 0.00 1.36 0.98 1.39 1.05 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 15 G 6.51 3.79 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 0.00 0.00 0.00 16 D 8.12 4.81 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.58 4.13 0.00 3.91 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 18 G 9.01 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 0.00 0.00 0.00 19 V 7.27 3.78 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 0.81 0.00 0.00 1.04 0.00 0.00 20 G 8.57 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 0.00 0.00 0.00 21 K 8.57 3.95 0.00 1.83 1.91 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.52 7.81 22 T 7.91 4.02 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 1.20 0.00 0.00 23 S 8.07 4.19 0.00 4.15 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 0.00 24 L 8.35 4.12 0.00 2.01 1.99 0.98 1.23 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 25 M 8.17 3.91 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 26 N 8.35 4.29 0.00 2.85 2.83 0.00 0.00 6.71 7.26 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 27 Q 8.55 4.07 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 28 Y 7.69 3.98 0.00 2.33 2.54 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 29 V 7.53 3.33 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 0.75 0.00 0.00 0.85 0.00 0.00 30 N 8.11 4.74 0.00 2.78 2.74 0.00 0.00 7.13 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 31 K 7.85 4.70 0.00 1.86 1.85 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.23 7.81 32 K 7.97 4.70 0.00 1.64 1.61 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.37 7.81 33 F 8.67 4.91 0.00 2.91 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 34 S 6.95 4.00 0.00 3.62 3.45 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 *43 A 7.75 4.35 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 44 D 7.51 5.15 0.00 2.58 2.69 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 45 F 7.51 5.16 0.00 2.26 1.45 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 46 L 8.86 4.92 0.00 1.57 1.50 0.85 0.38 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 47 T 8.36 5.26 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 1.44 0.00 0.00 48 K 9.00 4.55 0.00 1.65 1.61 0.00 0.95 0.00 0.00 0.77 0.00 0.00 2.62 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.22 1.24 7.81 49 E 8.79 4.83 0.00 1.88 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 2.29 0.00 50 V 9.06 4.58 2.15 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 1.13 0.00 0.00 1.12 0.00 0.00 51 M 8.65 4.94 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 52 V 9.03 4.22 2.10 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 1.09 0.00 0.00 0.95 0.00 0.00 53 D 9.16 4.49 0.00 2.88 2.21 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 54 D 9.39 4.91 0.00 2.63 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 55 R 8.04 4.50 0.00 2.00 1.85 0.00 3.12 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 56 L 8.34 4.86 0.00 1.64 1.56 0.93 0.92 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 57 V 9.05 4.75 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 1.02 0.00 0.00 58 T 8.89 4.96 4.26 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 1.24 0.00 0.00 59 M 9.33 4.79 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 60 Q 9.30 4.86 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 61 I 8.98 4.97 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 1.12 0.00 0.00 62 W 9.83 5.42 0.00 3.42 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.60 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.54 5.06 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 0.81 0.00 0.00 0.92 0.00 0.00 88 F 8.76 5.14 0.00 3.25 3.18 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 89 D 9.15 5.15 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 90 V 8.78 3.98 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 0.62 0.00 0.00 0.98 0.00 0.00 91 T 8.54 4.43 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 92 A 8.16 4.62 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 93 P 0.00 4.36 0.00 2.20 2.17 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 94 N 8.26 4.43 0.00 2.96 3.12 0.00 0.00 6.04 7.22 0.00 0.00 0.00 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0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.63 0.00 120 F 8.82 5.40 0.00 3.03 3.09 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 0.00 121 V 8.61 4.70 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 0.95 0.00 0.00 0.97 0.00 0.00 122 V 8.99 5.04 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 1.32 0.00 0.00 123 L 9.22 5.04 0.00 1.52 1.46 0.73 0.52 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 0.00 124 G 8.87 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 0.00 0.00 0.00 125 N 8.30 5.12 0.00 2.74 2.78 0.00 0.00 7.13 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.77 4.39 0.00 2.02 1.94 0.00 2.29 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.36 7.81 127 I 7.54 3.83 1.85 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 1.40 0.49 1.00 0.00 0.00 128 D 7.99 4.31 0.00 3.00 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 0.00 129 L 7.98 4.56 0.00 1.83 1.68 0.94 0.61 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 0.00 130 E 8.80 4.05 0.00 2.07 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 0.00 2.29 2.37 0.00 131 N 7.35 4.72 0.00 2.82 2.85 0.00 0.00 7.06 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 0.00 132 R 7.59 4.12 0.00 1.94 1.95 0.00 3.01 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 133 Q 8.98 4.47 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 134 V 7.61 4.14 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 0.07 0.00 0.00 0.94 0.00 0.00 135 A 8.18 4.22 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 0.00 136 T 8.43 4.10 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 137 K 8.00 4.19 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.33 7.81 138 R 7.79 3.85 0.00 1.82 1.82 0.00 3.17 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 139 A 7.56 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.23 3.75 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 141 A 8.17 4.08 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 0.00 142 W 8.29 4.01 0.00 3.65 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 0.00 143 C 8.41 4.32 0.00 3.30 3.35 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 0.00 144 Y 8.48 4.04 0.00 3.17 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 0.00 145 S 8.03 4.24 0.00 3.93 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 0.00 146 K 6.62 4.22 0.00 1.32 1.40 0.00 1.17 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.58 0.21 7.81 147 N 8.25 3.78 0.00 2.71 2.89 0.00 0.00 7.24 7.79 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 0.00 148 N 7.56 4.07 0.00 2.69 2.79 0.00 0.00 7.05 7.98 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 0.00 149 I 7.64 4.04 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 1.19 0.00 0.00 150 P 0.00 4.48 0.00 2.23 2.03 0.00 3.91 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 2.19 2.14 0.00 151 Y 8.24 5.46 0.00 2.93 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 0.00 152 F 8.57 4.50 0.00 2.88 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 0.00 153 E 8.49 4.93 0.00 1.81 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 2.13 2.01 0.00 154 T 8.87 4.92 4.22 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 1.16 0.00 0.00 155 S 8.73 4.58 0.00 3.81 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 0.00 156 A 8.92 4.05 1.43 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 0.00 0.00 157 K 7.79 2.00 0.00 1.01 1.45 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.04 0.56 7.81 158 E 7.91 4.25 0.00 1.90 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 2.14 2.07 0.00 159 A 7.11 3.69 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 0.00 160 I 7.71 4.21 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.89 0.00 0.00 161 N 8.94 4.07 0.00 3.03 2.91 0.00 0.00 6.78 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 0.00 162 V 7.66 3.65 2.15 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 1.23 0.00 0.00 1.04 0.00 0.00 163 E 8.17 4.19 0.00 2.07 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 2.52 2.37 0.00 164 Q 8.01 3.85 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 165 A 7.57 2.00 0.80 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 0.00 0.00 166 F 7.82 3.49 0.00 2.11 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 0.00 0.00 0.00 167 Q 7.86 4.07 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 168 T 7.46 3.96 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 1.38 0.00 0.00 169 I 7.56 3.54 1.74 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.42 0.82 0.00 0.00 170 A 8.32 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 R 8.03 3.83 0.00 1.91 1.94 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 172 N 8.53 4.38 0.00 2.70 2.75 0.00 0.00 6.92 8.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.16 4.24 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 0.00 174 L 8.10 3.91 0.00 1.85 1.87 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.05 3.93 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.69 7.81 176 Q 7.92 3.84 0.00 1.91 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 177 E 8.55 3.95 0.00 2.33 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 2.32 2.41 0.00 178 T 8.25 3.85 4.46 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 1.24 0.00 0.00 179 E 8.15 4.07 0.00 2.12 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 0.00 2.31 2.64 0.00 180 V 7.94 3.65 2.27 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 1.12 0.00 0.00 1.00 0.00 0.00 181 E 8.46 3.98 0.00 2.25 1.98 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 2.34 2.57 0.00 182 L 8.43 4.02 0.00 1.68 1.22 0.94 0.71 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 0.00 183 Y 7.50 4.36 0.00 3.03 2.97 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 0.00 184 N 7.60 4.13 0.00 2.78 2.82 0.00 0.00 7.10 7.53 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 0.00 185 E 8.56 4.23 0.00 2.04 1.88 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 2.41 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.