NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 T 4.3299 8.1631 115.2476 61.8189 69.7027 173.7447 30 G 4.1092 7.6530 109.3665 44.5466 0.0000 171.2462 31 D 4.5894 7.9335 121.1548 56.6185 43.0921 178.3631 32 T 4.4565 7.7695 106.9299 63.7409 68.9956 173.8796 33 D 4.8748 7.9241 121.1604 54.7025 41.3581 175.8672 34 Q 4.6559 7.4206 116.6520 53.0307 32.0149 173.9272 35 P 4.1859 0.0000 0.0000 63.2500 31.9228 176.0159 36 I 4.4132 8.0869 121.6667 60.1290 38.9050 175.4644 37 H 4.5425 8.9518 126.5309 54.8159 28.7122 174.7414 38 I 4.3377 7.9338 123.8597 60.1389 38.7676 175.1131 39 E 4.6108 8.2185 126.1789 54.6003 32.2896 174.4719 40 S 4.9678 8.6087 120.1464 56.8861 65.9575 173.5025 41 D 4.5179 8.7899 122.0177 57.0623 40.8584 176.3085 42 Q 5.0982 9.1369 118.0511 56.2006 31.8749 174.9835 43 Q 5.1310 7.9019 122.8781 57.0266 29.5540 172.8621 44 S 4.4949 7.7196 115.0036 57.0850 67.6896 172.7886 45 L 4.6138 8.4954 126.7352 53.4123 43.7431 175.4940 46 D 4.6251 8.5276 127.6131 52.9987 40.8037 176.5603 47 M 4.0439 8.7367 128.6102 58.6821 32.2713 178.8450 48 Q 4.3035 7.6118 115.5449 56.5615 30.2123 181.2581 49 G 3.9240 8.4425 107.1808 47.1378 0.0000 176.4692 50 N 4.8615 9.2224 119.6226 52.5113 40.4660 174.6047 51 V 4.6886 7.8077 120.6644 61.3563 31.1641 175.0014 52 V 3.9529 8.5147 122.1771 62.3435 31.8814 175.6664 53 T 4.6551 8.6772 125.0643 63.3682 70.2047 173.7656 54 F 5.1518 9.2819 121.6244 56.5275 43.8168 173.6689 55 T 4.7747 8.5718 115.1294 61.6022 71.7709 169.2364 56 G 3.9343 8.8194 125.1150 47.6223 0.0000 174.8499 57 N 4.3368 8.5316 123.3698 52.8637 34.8457 171.6366 58 V 4.2248 7.4797 117.0787 60.8825 32.2153 178.1554 59 I 4.7326 8.2077 127.1438 59.4217 37.1778 174.8644 60 V 4.1725 7.9965 123.9972 61.6289 33.2002 176.9331 61 T 5.0309 8.6294 113.8092 60.1846 72.6579 172.9181 62 Q 3.9786 9.0850 124.5333 57.2024 32.1986 173.6869 63 G 4.3200 9.6906 116.4348 44.5188 0.0000 173.4246 64 T 4.4495 7.3783 111.2259 61.7368 71.8811 176.1399 65 I 4.2172 7.6769 122.2686 61.4370 37.9890 175.4102 66 K 5.0080 8.0685 127.1382 55.4748 30.7097 176.7892 67 I 4.1591 7.6882 121.1246 60.5967 37.1798 177.3532 68 N 5.4427 8.3989 124.7741 50.5584 41.2727 174.1476 69 A 4.8892 9.2100 126.7738 51.9668 23.3197 176.2260 70 D 4.8217 8.7953 118.0191 53.9883 40.7273 174.1601 71 K 4.4125 7.6928 115.6571 56.9518 35.2003 173.9132 72 V 4.9044 8.5014 128.2953 61.5333 34.7857 175.2143 73 V 5.0228 8.2803 124.9377 60.9337 34.6778 173.0244 74 V 5.5726 9.1772 126.2340 59.3291 33.7864 175.0687 75 T 5.2718 8.4138 113.0541 58.8751 72.9811 172.6904 76 R 4.6635 8.3343 120.9023 54.0285 31.9972 172.9803 77 P 4.3727 0.0000 0.0000 62.8124 30.0152 176.9437 78 G 4.0019 8.4485 114.6481 46.4636 0.0000 171.9608 *83 K 4.2365 7.8414 120.3176 57.3335 33.0493 176.7799 84 E 4.6663 8.1639 117.4802 57.3573 32.1760 178.3471 85 V 4.7865 8.3742 120.5176 61.6536 35.0020 174.0584 86 I 4.7673 9.0041 129.4055 60.0156 39.2350 174.7115 87 D 5.1630 8.7345 126.3256 52.0530 42.4633 175.5634 88 G 4.1444 8.4444 109.4576 46.6092 0.0000 169.4749 89 Y 5.1427 8.7227 116.8548 57.1021 43.1712 175.0007 90 G 4.1023 8.7208 110.9099 46.1789 0.0000 174.0540 91 K 4.6299 8.5534 127.3938 53.1715 32.8777 171.2864 92 P 5.0497 0.0000 0.0000 60.1854 33.2436 174.9260 93 A 4.8610 8.8663 125.1233 51.1855 21.1482 175.9207 94 T 5.3569 8.4414 109.3286 60.2626 72.6137 172.1837 95 F 4.8677 8.4294 120.9151 57.7190 42.8635 172.8420 96 Y 4.7741 6.8442 122.4212 56.8648 42.6062 173.1646 97 Q 4.2533 7.2627 126.2604 54.6688 32.8147 172.7048 98 M 4.5685 8.4480 130.0084 55.7009 33.0593 176.5154 99 Q 4.4531 9.1420 125.7887 53.7332 29.4645 172.8584 100 D 4.5803 8.6671 119.8791 55.9583 39.3114 177.0454 101 N 4.6817 7.8408 117.2581 51.7231 36.2165 174.6340 102 G 3.8177 8.5773 112.8658 47.6441 0.0000 171.6104 103 K 4.1874 8.1981 123.9717 54.3700 32.2220 180.1511 104 P 4.7289 0.0000 0.0000 60.7867 29.7629 175.9993 105 V 3.7055 8.1008 126.1155 62.2587 32.8086 175.4754 106 E 4.9116 8.3191 126.0250 55.8106 30.1540 174.7976 107 G 4.1624 8.3802 103.5648 44.2700 0.0000 171.7544 108 H 5.0313 8.8005 115.7033 54.5715 32.4947 171.8543 109 A 4.9587 8.8685 119.4712 52.1432 22.3639 177.4047 110 S 4.3647 8.4426 113.3430 60.3357 64.7455 173.3575 111 Q 3.9580 8.6443 121.7863 54.4215 31.1846 173.6447 112 M 4.3838 8.3651 126.2722 55.0480 34.6327 174.2921 113 H 4.9414 8.2600 122.2963 55.1708 33.9613 171.5160 114 Y 5.0849 9.5369 126.4167 55.8495 42.7857 173.8680 115 E 5.0247 8.4734 127.2804 55.0798 31.9290 177.2366 116 L 4.4039 8.9242 128.0897 57.7484 41.0500 175.7317 117 A 4.1448 8.2953 119.8883 54.8350 18.4581 178.1261 118 K 4.3903 7.7235 110.8214 55.2443 34.1893 175.6987 119 D 4.2394 7.9525 118.1677 55.6680 38.0735 172.5829 120 F 5.1468 7.7587 121.0182 56.2762 42.7881 174.9236 121 V 4.4683 7.9341 125.0923 60.9851 34.5996 174.4310 122 V 4.3467 8.3437 126.6272 60.8034 33.7658 174.3421 123 L 4.3910 8.5057 128.0859 55.0622 43.3517 177.1761 124 T 4.6458 7.7726 119.0619 62.3455 72.2649 172.8004 125 G 4.7982 8.5922 119.5931 44.0859 0.0000 172.6051 126 N 4.2962 9.1537 118.2467 52.5558 35.0432 173.2057 127 A 4.5884 7.5364 120.6358 52.5723 20.6315 177.8050 128 Y 5.2295 8.6045 123.4975 58.8195 41.7410 173.9658 129 L 4.9125 8.5829 129.3150 53.7802 43.5227 172.0496 130 Q 4.9151 8.2934 119.5413 55.6206 33.5010 173.1795 131 Q 4.5870 7.9174 124.4925 56.1632 31.4965 174.3058 132 V 3.7603 7.7613 112.7527 64.1047 31.1190 172.6513 133 D 4.5645 7.3485 120.1356 52.8327 40.2006 175.4651 134 S 5.0631 8.0294 111.3395 54.9680 66.0202 172.4546 135 N 5.2504 8.6835 120.7909 51.1339 40.0442 173.3441 136 I 5.0081 8.6635 124.4630 60.1025 40.6038 175.3699 137 K 4.7905 8.6281 129.2746 53.3524 35.6759 173.3021 138 G 4.1961 8.1898 107.7369 47.6716 0.0000 174.3473 139 D 4.8743 8.6720 120.9035 56.0052 43.9676 177.7752 140 K 4.9883 8.3608 121.9520 53.8951 36.5166 177.5448 141 I 4.9787 8.5264 126.4919 58.7612 39.6560 175.6676 142 T 4.5518 8.5400 117.8836 61.5596 71.0875 173.3933 143 Y 4.8927 7.9754 120.1414 57.0994 42.9106 173.8425 144 L 4.7691 8.4934 131.6971 52.4862 40.2179 178.0617 145 V 2.9276 6.9454 121.8782 63.0445 32.0641 179.9708 146 K 4.2109 7.6997 119.3374 57.4711 31.6658 182.1513 147 E 4.7594 7.9365 117.4226 55.7258 29.9553 177.8264 148 Q 4.0228 8.0851 123.4633 58.3132 28.9306 174.5480 149 K 3.9837 8.0350 121.4013 56.3237 32.5014 179.4414 150 M 5.2876 8.5554 124.2841 53.2285 35.9075 173.9077 151 Q 4.6628 8.5975 119.8884 55.1482 33.1510 172.7285 152 A 5.1021 7.9103 124.5535 50.5742 22.3549 175.4203 153 F 5.0959 9.8258 120.5460 55.6941 43.2418 174.4936 154 S 4.9646 8.5149 114.2106 56.6491 65.8329 173.7964 155 D 4.3772 9.1992 125.5986 54.5933 41.1916 176.6616 156 K 4.1870 8.4726 123.1696 58.9862 31.1732 176.1075 157 G 3.6824 8.6997 119.7139 45.2658 0.0000 173.7470 158 K 4.4774 7.9623 121.7239 53.2573 33.4882 178.4593 159 R 4.6886 7.8564 114.7531 56.3015 32.9108 174.0508 160 V 4.2749 8.1184 123.2226 62.6054 32.7466 175.2066 161 T 4.7716 8.4685 122.7019 62.2605 72.5622 173.2364 162 T 5.5075 8.2014 120.4245 62.6353 72.6594 173.7978 163 V 4.3319 8.2310 119.3301 60.0355 35.1126 175.6025 164 L 4.8643 7.9249 121.3892 56.1351 40.6445 175.3395 165 V 3.8180 7.8512 122.8820 60.4144 32.8738 175.2897 166 P 4.4874 0.0000 0.0000 62.5798 31.1472 176.2526 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 29 T 8.16 4.33 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 1.23 0.00 0.00 30 G 7.65 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 0.00 0.00 0.00 31 D 7.93 4.59 0.00 2.76 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 32 T 7.77 4.46 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 1.37 0.00 0.00 33 D 7.92 4.87 0.00 2.68 2.73 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 0.00 0.00 0.00 0.00 34 Q 7.42 4.66 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 35 P 0.00 4.19 0.00 2.10 2.04 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 36 I 8.09 4.41 1.86 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 1.34 0.55 0.86 0.00 0.00 37 H 8.95 4.54 0.00 3.06 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.93 4.34 1.34 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.05 -0.04 0.00 0.00 39 E 8.22 4.61 0.00 2.13 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 0.00 2.18 2.21 0.00 40 S 8.61 4.97 0.00 4.01 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 41 D 8.79 4.52 0.00 2.83 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 42 Q 9.14 5.10 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 43 Q 7.90 5.13 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 44 S 7.72 4.49 0.00 3.67 3.66 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 45 L 8.50 4.61 0.00 1.68 1.50 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.53 4.63 0.00 2.73 2.53 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 47 M 8.74 4.04 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 48 Q 7.61 4.30 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 49 G 8.44 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 50 N 9.22 4.86 0.00 2.76 2.74 0.00 0.00 6.19 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 51 V 7.81 4.69 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 0.77 0.00 0.00 0.93 0.00 0.00 52 V 8.51 3.95 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 0.58 0.00 0.00 0.93 0.00 0.00 53 T 8.68 4.66 4.10 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 1.23 0.00 0.00 54 F 9.28 5.15 0.00 2.99 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 55 T 8.57 4.77 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 1.22 0.00 0.00 56 G 8.82 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 57 N 8.53 4.34 0.00 2.83 2.87 0.00 0.00 6.92 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 58 V 7.48 4.22 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 1.02 0.00 0.00 59 I 8.21 4.73 1.83 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 1.26 1.12 0.86 0.00 0.00 60 V 8.00 4.17 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 0.72 0.00 0.00 0.82 0.00 0.00 61 T 8.63 5.03 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 1.17 0.00 0.00 62 Q 9.08 3.98 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.98 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 63 G 9.69 4.32 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 0.00 64 T 7.38 4.45 4.57 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 1.27 0.00 0.00 65 I 7.68 4.22 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.16 0.61 0.00 0.00 66 K 8.07 5.01 0.00 1.85 1.57 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 0.98 7.81 67 I 7.69 4.16 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 1.24 1.27 0.91 0.00 0.00 68 N 8.40 5.44 0.00 2.67 2.71 0.00 0.00 6.24 7.07 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 69 A 9.21 4.89 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 70 D 8.80 4.82 0.00 2.46 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 71 K 7.69 4.41 0.00 1.81 1.74 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.52 7.81 72 V 8.50 4.90 2.26 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 1.11 0.00 0.00 0.98 0.00 0.00 73 V 8.28 5.02 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 0.83 0.00 0.00 0.98 0.00 0.00 74 V 9.18 5.57 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 0.83 0.00 0.00 1.06 0.00 0.00 75 T 8.41 5.27 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 1.25 0.00 0.00 76 R 8.33 4.66 0.00 1.80 1.85 0.00 3.25 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 77 P 0.00 4.37 0.00 2.22 2.11 0.00 3.67 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 2.01 2.11 0.00 78 G 8.45 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 *83 K 7.84 4.24 0.00 2.08 1.97 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.03 7.81 84 E 8.16 4.67 0.00 1.68 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 2.30 1.87 0.00 85 V 8.37 4.79 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 0.91 0.00 0.00 0.99 0.00 0.00 86 I 9.00 4.77 2.00 0.00 0.00 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 1.27 0.51 0.97 0.00 0.00 87 D 8.73 5.16 0.00 2.85 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 88 G 8.44 4.14 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 0.00 89 Y 8.72 5.14 0.00 3.14 2.81 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 0.00 0.00 0.00 0.00 90 G 8.72 4.10 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 0.00 0.00 0.00 91 K 8.55 4.63 0.00 1.55 1.63 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 0.99 7.81 92 P 0.00 5.05 0.00 2.04 2.11 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 93 A 8.87 4.86 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 94 T 8.44 5.36 4.28 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 1.20 0.00 0.00 95 F 8.43 4.87 0.00 3.06 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 96 Y 6.84 4.77 0.00 2.94 2.46 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 97 Q 7.26 4.25 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 98 M 8.45 4.57 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 99 Q 9.14 4.45 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 100 D 8.67 4.58 0.00 2.76 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 0.00 101 N 7.84 4.68 0.00 3.00 3.01 0.00 0.00 6.88 6.81 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 0.00 102 G 8.58 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 0.00 103 K 8.20 4.19 0.00 1.45 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.26 7.81 104 P 0.00 4.73 0.00 2.20 2.25 0.00 3.75 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 1.98 2.01 0.00 105 V 8.10 3.71 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 0.67 0.00 0.00 0.93 0.00 0.00 106 E 8.32 4.91 0.00 1.92 1.72 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 2.14 2.23 0.00 107 G 8.38 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.80 5.03 0.00 3.26 3.28 0.00 5.31 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.87 4.96 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 0.00 110 S 8.44 4.36 0.00 3.96 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 0.00 111 Q 8.64 3.96 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 112 M 8.37 4.38 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 113 H 8.26 4.94 0.00 3.03 3.05 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 9.54 5.08 0.00 3.02 2.79 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 0.00 115 E 8.47 5.02 0.00 1.94 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 2.32 2.40 0.00 116 L 8.92 4.40 0.00 1.45 1.59 0.92 0.89 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 0.00 117 A 8.30 4.14 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 0.00 118 K 7.72 4.39 0.00 1.64 1.68 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.37 7.81 119 D 7.95 4.24 0.00 2.81 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 0.00 120 F 7.76 5.15 0.00 2.84 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 0.00 121 V 7.93 4.47 1.94 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 0.77 0.00 0.00 0.88 0.00 0.00 122 V 8.34 4.35 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 0.79 0.00 0.00 0.29 0.00 0.00 123 L 8.51 4.39 0.00 1.57 1.51 0.85 0.34 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 T 7.77 4.65 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 1.23 0.00 0.00 125 G 8.59 4.80 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 0.00 126 N 9.15 4.30 0.00 2.75 2.80 0.00 0.00 6.48 7.65 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 0.00 127 A 7.54 4.59 1.29 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 0.00 0.00 0.00 128 Y 8.60 5.23 0.00 2.87 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 0.00 129 L 8.58 4.91 0.00 1.37 1.51 0.92 0.55 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 0.00 130 Q 8.29 4.92 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.50 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 131 Q 7.92 4.59 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 132 V 7.76 3.76 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 0.79 0.00 0.00 0.93 0.00 0.00 133 D 7.35 4.56 0.00 2.78 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 0.00 134 S 8.03 5.06 0.00 3.89 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 0.00 135 N 8.68 5.25 0.00 2.98 3.02 0.00 0.00 6.05 7.83 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 0.00 136 I 8.66 5.01 1.85 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 1.04 1.35 0.86 0.00 0.00 137 K 8.63 4.79 0.00 1.38 1.61 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.22 7.81 138 G 8.19 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 0.00 0.00 0.00 0.00 139 D 8.67 4.87 0.00 2.84 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 0.00 140 K 8.36 4.99 0.00 1.41 1.61 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.29 7.81 141 I 8.53 4.98 1.83 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 1.28 0.65 0.92 0.00 0.00 142 T 8.54 4.55 4.45 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 1.40 0.00 0.00 143 Y 7.98 4.89 0.00 2.84 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 0.00 144 L 8.49 4.77 0.00 1.85 1.49 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 145 V 6.95 2.93 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 1.06 0.00 0.00 0.93 0.00 0.00 146 K 7.70 4.21 0.00 1.77 1.78 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.05 7.81 147 E 7.94 4.76 0.00 2.13 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 0.00 2.16 2.28 0.00 148 Q 8.09 4.02 0.00 2.41 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 149 K 8.03 3.98 0.00 1.44 1.75 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.29 7.81 150 M 8.56 5.29 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 151 Q 8.60 4.66 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 1.78 2.18 0.00 152 A 7.91 5.10 1.11 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 0.00 0.00 153 F 9.83 5.10 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 0.00 154 S 8.51 4.96 0.00 3.83 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 0.00 155 D 9.20 4.38 0.00 2.93 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 0.00 156 K 8.47 4.19 0.00 1.77 1.66 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 157 G 8.70 3.68 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 0.00 0.00 0.00 158 K 7.96 4.48 0.00 1.77 1.63 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.23 7.81 159 R 7.86 4.69 0.00 1.70 1.75 0.00 3.18 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 160 V 8.12 4.27 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 0.82 0.00 0.00 0.89 0.00 0.00 161 T 8.47 4.77 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 1.16 0.00 0.00 162 T 8.20 5.51 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 1.19 0.00 0.00 163 V 8.23 4.33 2.05 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 0.90 0.00 0.00 0.93 0.00 0.00 164 L 7.92 4.86 0.00 1.59 1.62 0.91 0.54 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 0.00 165 V 7.85 3.82 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 0.77 0.00 0.00 0.93 0.00 0.00 166 P 0.00 4.49 0.00 2.03 2.02 0.00 3.67 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 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.