NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 V 3.9813 8.0501 120.4010 62.0392 32.5677 175.3099 33 A 4.4520 7.9081 119.3836 51.3188 24.7048 175.6501 34 D 5.1472 9.1124 117.4030 51.3413 46.3140 173.8215 35 R 5.2399 7.9613 116.5980 54.4306 32.8517 174.8477 36 Y 4.6362 9.2759 122.0676 56.0931 40.1137 174.8231 37 A 4.9087 8.7495 127.1731 51.5041 19.8997 176.5108 38 V 4.4585 9.1688 122.7568 61.4412 34.5293 174.4110 39 Y 4.8129 9.1441 127.0805 56.3985 37.7149 176.2240 40 W 4.2348 8.8405 135.0000 56.1817 28.1857 174.7052 41 N 5.5958 7.8436 119.7649 50.8218 40.7311 177.0558 42 S 4.3443 9.4500 115.0963 60.6378 63.1915 175.4530 43 S 4.3556 8.1974 116.6727 59.8806 63.2987 173.8278 44 N 4.4574 8.3975 120.4090 52.7781 38.7717 173.6410 45 P 4.3073 0.0000 0.0000 65.7460 31.0792 178.7466 46 R 3.5129 8.2043 116.7465 58.9751 30.0114 178.5723 47 F 4.4448 8.0767 117.3289 60.1198 38.8559 178.0425 48 Q 4.1206 8.0289 116.4720 58.4335 28.7954 177.7417 49 R 4.2627 7.9358 117.6151 55.6107 30.1433 177.9850 50 G 4.1401 8.1665 106.2777 46.1964 0.0000 173.8474 51 D 5.0626 7.6951 118.1691 52.6527 40.0254 175.3671 52 Y 4.5051 8.1657 121.7229 59.5987 39.4036 174.5230 53 H 6.0559 9.3028 120.6808 54.6311 31.9147 172.5932 54 I 4.5235 8.1368 112.0046 59.2415 41.1401 173.5482 55 D 5.1446 8.4807 124.2334 53.1136 42.1640 175.9505 56 V 4.3655 8.3826 116.3604 59.5462 36.3332 173.7643 57 C 5.2121 9.4164 118.2159 54.6728 43.8366 174.2613 58 I 3.9746 8.2180 121.2679 63.5948 37.0482 176.3621 59 N 4.2571 9.3388 120.9345 53.3373 36.9737 174.2100 60 D 5.4786 7.8427 118.7757 53.7733 42.7556 174.5468 61 Y 4.7968 9.7058 116.5795 56.2026 42.4179 174.6824 62 L 5.1631 8.8792 123.6507 53.5150 45.1213 174.7648 63 D 4.9928 9.2117 126.9526 52.4954 43.2662 175.4032 64 V 4.3325 8.2606 125.4979 61.8724 33.1380 174.6948 65 F 4.9394 9.3719 127.8532 55.7928 40.2272 175.0011 66 C 5.0439 8.8981 122.4838 55.9467 40.9581 172.3437 67 P 4.5093 0.0000 0.0000 63.7029 31.3874 174.9028 68 H 4.9737 8.5245 122.7372 54.4925 32.3883 171.9810 69 Y 4.8571 8.3880 122.3517 55.8678 41.2187 175.2301 70 E 4.3387 8.8303 121.9023 56.3223 30.8375 177.5937 71 D 4.1055 8.8219 119.9294 56.4168 41.3682 177.1635 72 S 4.6142 7.2631 115.5434 57.2006 62.9578 175.1815 73 V 4.3273 7.2573 119.4126 61.6345 34.1024 173.3033 74 P 4.2953 0.0000 0.0000 63.3234 31.3746 176.2528 75 E 4.2708 8.0341 115.8663 56.5812 27.5698 175.0973 76 D 4.7193 7.4695 119.9766 55.2349 42.7711 177.6946 77 K 4.2244 7.6865 115.1029 56.6586 32.9852 176.7737 78 T 2.7503 7.3419 117.7900 62.9068 68.7983 173.2077 79 E 4.5877 8.8199 126.7538 55.3531 30.9540 175.9731 80 R 4.8617 7.6704 120.3823 54.9000 34.7771 173.6822 81 Y 5.4190 8.7002 118.0404 56.7635 43.4640 173.8427 82 V 4.6749 8.7512 120.9242 61.1670 34.3881 174.1933 83 L 5.0807 8.8615 128.0293 53.1757 44.3078 175.0661 84 Y 5.0636 9.0699 120.3145 56.3482 42.0988 174.0649 85 M 4.7175 8.8030 122.5379 54.3697 33.9304 175.3736 86 V 5.3139 8.7382 118.9330 59.6324 36.4842 174.5518 87 N 4.9156 8.5788 119.4500 51.6723 39.2008 175.9018 88 F 3.1220 8.6942 118.7906 61.4054 39.1885 176.5258 89 D 4.1470 8.1158 118.0044 57.2637 40.6012 178.8876 90 G 3.5836 8.3197 106.2176 47.5137 0.0000 175.1438 91 Y 4.0366 7.9909 122.1748 60.6081 38.6011 178.1145 92 S 3.6871 8.0558 112.8537 60.5097 62.5048 174.9973 93 A 4.2793 7.6921 120.3907 50.8950 19.7329 175.7273 94 C 3.9285 7.7094 112.6740 57.7612 37.0580 173.4001 95 D 4.6383 8.2611 118.5395 52.8034 43.7587 175.2085 96 H 4.3448 8.3879 121.9692 57.2243 29.4048 175.0348 97 T 3.7823 7.6102 115.9527 65.0838 68.1681 173.4207 98 S 3.7348 8.8964 120.1492 59.2876 61.1518 172.3457 99 K 4.6841 8.2927 118.4436 55.5412 34.6872 175.6095 100 G 4.6311 7.7562 105.8238 46.0943 0.0000 172.8931 101 F 5.1391 9.3933 118.7667 54.9739 42.1471 175.3625 102 K 3.6741 8.9431 124.8682 56.9688 32.1282 175.0127 103 R 3.8921 8.6757 127.4839 56.9691 31.0831 175.6832 104 W 4.7142 6.9958 116.4036 54.5746 34.0767 173.5791 105 E 4.6319 7.9024 119.8438 55.0903 32.0441 177.3151 106 C 4.9164 9.3973 125.5087 55.1301 39.1733 173.8075 107 N 5.0167 8.4187 115.1501 52.3254 38.2948 176.5746 108 R 4.6818 7.6063 117.4978 54.1674 30.4550 174.1642 109 P 4.8829 0.0000 0.0000 64.4985 31.8004 177.4157 110 H 4.9020 7.8545 116.3075 55.4661 29.9174 173.9608 111 S 4.4691 8.3535 113.0784 57.2517 64.9791 173.0675 112 P 4.3804 0.0000 0.0000 64.2709 29.7455 178.4384 113 N 4.4292 9.1994 114.1218 53.7416 37.2522 176.3505 114 G 3.8131 8.0482 111.0214 43.9282 0.0000 169.1058 115 P 4.3402 0.0000 0.0000 62.0724 32.1696 176.0433 116 L 4.0165 8.3994 123.7258 55.2037 43.2464 175.4724 117 K 4.5867 7.9058 125.5169 54.4126 35.2938 174.9851 118 F 4.5428 8.1987 124.4404 55.5268 42.3951 174.3622 119 S 4.9528 8.2740 116.6223 56.6298 66.7535 173.0079 120 E 4.6067 9.0996 123.9102 54.2576 32.6448 173.9685 121 K 4.0282 8.3736 128.0236 54.2917 33.6298 177.1275 122 F 3.7795 7.5765 129.0337 56.2803 36.9069 174.8045 123 Q 4.5367 7.7450 119.7295 55.3350 30.7509 178.5954 124 L 3.9649 8.2848 119.9235 56.1617 42.0399 177.7531 125 F 5.8574 7.4142 114.7336 54.8383 41.7333 174.5293 126 T 4.3471 8.8115 122.5138 62.5615 69.0755 173.4854 127 P 4.5840 0.0000 0.0000 63.0747 32.2710 175.5271 128 F 4.7664 7.5868 121.6923 55.7736 41.9905 173.8413 129 S 3.9087 7.6663 119.9874 60.4367 62.2919 173.7385 130 L 3.6165 8.6142 125.2529 55.2836 39.2574 175.3408 131 G 3.7685 7.6694 108.9775 45.3692 0.0000 173.0042 132 F 4.4033 8.4215 117.8095 56.0693 40.1049 175.2909 133 E 4.9433 8.2140 124.2568 54.5631 32.5144 174.9150 134 F 5.0125 9.1790 120.4083 55.7417 43.3118 174.2045 135 R 4.8187 8.9809 118.7148 53.5852 34.0316 173.7108 136 P 4.1762 0.0000 0.0000 64.1176 31.8386 176.9983 137 G 3.9748 8.6649 110.0056 45.7829 0.0000 173.3434 138 R 4.7558 7.5654 118.0915 54.3387 33.3599 174.7379 139 E 5.0665 8.2897 119.7045 54.9047 32.0111 175.1144 140 Y 4.4477 8.6926 119.9615 56.1015 42.4306 174.5417 141 F 5.4821 8.4134 118.7356 56.1448 43.8529 173.3580 142 Y 6.1386 10.0592 119.1196 55.4394 42.1248 174.5025 143 I 5.7360 8.7840 115.3499 59.6020 41.8655 173.6905 144 S 5.5803 9.0811 116.3038 56.7402 66.5536 173.3792 145 S 5.0147 8.9940 114.7797 56.2677 65.7197 173.3194 146 A 4.4967 9.0190 125.8325 52.4471 18.4950 177.3500 147 I 3.9809 8.4814 124.1909 64.0339 36.9723 176.3012 148 P 4.1471 0.0000 0.0000 64.4591 31.2062 175.4097 *150 D 4.4383 7.8214 118.3539 54.6284 41.7298 174.0104 151 N 4.7490 9.2630 123.6575 52.8641 39.9792 176.6815 152 G 5.0138 8.0487 118.4915 45.6275 0.0000 173.5772 153 R 4.1955 8.0992 117.0585 57.1018 28.9381 176.8671 154 R 4.5654 7.1242 123.9418 56.0702 28.7749 181.2848 155 S 4.4071 8.8168 122.4978 58.8462 60.4978 172.3790 156 C 4.6205 8.0874 118.9451 54.7958 37.1814 174.0158 157 L 4.5399 8.2370 120.6271 54.5719 42.3977 176.1796 158 K 5.5385 8.5450 120.4922 55.9191 36.1028 174.8869 159 L 5.1320 10.2462 122.5844 53.5691 46.0591 174.4937 160 K 4.9458 9.0753 127.0926 54.5954 34.9943 174.5839 161 V 4.7114 9.0410 127.8796 61.0303 34.1879 173.7661 162 F 5.2043 8.9702 131.0490 56.5443 41.2699 174.6497 163 V 3.9618 8.5931 128.5007 61.6404 32.0316 175.6656 164 R 3.6049 8.4134 128.4194 55.1401 30.8370 175.4585 165 P 4.4768 0.0000 0.0000 62.5191 32.0199 177.3650 166 T 3.8263 8.4897 109.4748 64.8465 68.7444 175.8819 167 N 4.3665 8.1813 119.4138 56.4407 39.1499 175.8627 168 S 4.3253 7.8672 113.3845 61.3632 63.2970 174.5650 169 C 4.4793 7.5159 117.4647 56.8111 38.1546 173.5771 170 M 3.5016 8.0036 122.0206 55.7064 31.6528 176.9891 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 32 V 8.05 3.98 1.02 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 0.79 0.00 0.00 0.94 0.00 0.00 33 A 7.91 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 9.11 5.15 0.00 2.71 2.63 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 35 R 7.96 5.24 0.00 1.64 1.80 0.00 3.07 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 36 Y 9.28 4.64 0.00 2.99 2.96 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 37 A 8.75 4.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.17 4.46 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 1.33 0.00 0.00 0.90 0.00 0.00 39 Y 9.14 4.81 0.00 3.08 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 40 W 8.84 4.23 0.00 3.58 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 41 N 7.84 5.60 0.00 3.15 3.05 0.00 0.00 5.86 7.64 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 42 S 9.45 4.34 0.00 4.11 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 43 S 8.20 4.36 0.00 4.14 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 44 N 8.40 4.46 0.00 2.97 3.17 0.00 0.00 7.01 7.82 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 45 P 0.00 4.31 0.00 2.12 2.06 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 46 R 8.20 3.51 0.00 0.83 0.66 0.00 2.91 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.00 47 F 8.08 4.44 0.00 3.21 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 48 Q 8.03 4.12 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 49 R 7.94 4.26 0.00 1.76 1.94 0.00 3.21 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 50 G 8.17 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 51 D 7.70 5.06 0.00 2.80 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 52 Y 8.17 4.51 0.00 2.86 2.75 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 53 H 9.30 6.06 0.00 3.35 3.29 0.00 5.13 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.14 4.52 1.39 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 1.17 0.76 0.89 0.00 0.00 55 D 8.48 5.14 0.00 2.56 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 56 V 8.38 4.37 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 57 C 9.42 5.21 0.00 2.90 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 58 I 8.22 3.97 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.93 0.00 0.00 59 N 9.34 4.26 0.00 2.83 2.96 0.00 0.00 7.04 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.84 5.48 0.00 2.87 2.99 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 0.00 0.00 0.00 61 Y 9.71 4.80 0.00 2.84 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 62 L 8.88 5.16 0.00 1.94 1.34 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.21 4.99 0.00 2.54 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.26 4.33 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.60 0.00 0.00 65 F 9.37 4.94 0.00 2.49 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 66 C 8.90 5.04 0.00 3.06 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 67 P 0.00 4.51 0.00 2.27 2.30 0.00 3.97 0.00 0.00 4.17 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 68 H 8.52 4.97 0.00 3.12 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.39 4.86 0.00 2.76 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 70 E 8.83 4.34 0.00 1.98 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 0.00 2.44 2.39 0.00 71 D 8.82 4.11 0.00 2.66 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 72 S 7.26 4.61 0.00 3.95 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 73 V 7.26 4.33 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 0.96 0.00 0.00 1.01 0.00 0.00 74 P 0.00 4.30 0.00 2.18 2.06 0.00 3.76 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 2.10 2.11 0.00 75 E 8.03 4.27 0.00 2.07 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 2.28 2.26 0.00 76 D 7.47 4.72 0.00 2.73 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 77 K 7.69 4.22 0.00 1.61 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 78 T 7.34 2.75 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 1.09 0.00 0.00 79 E 8.82 4.59 0.00 2.20 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 2.35 2.47 0.00 80 R 7.67 4.86 0.00 1.60 1.78 0.00 3.09 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 81 Y 8.70 5.42 0.00 2.87 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 82 V 8.75 4.67 2.23 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 0.54 0.00 0.00 0.98 0.00 0.00 83 L 8.86 5.08 0.00 1.35 1.28 -0.32 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 9.07 5.06 0.00 2.95 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 85 M 8.80 4.72 0.00 1.88 1.49 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.36 0.00 86 V 8.74 5.31 2.23 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 0.90 0.00 0.00 1.14 0.00 0.00 87 N 8.58 4.92 0.00 2.99 3.07 0.00 0.00 7.05 7.77 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 88 F 8.69 3.12 0.00 2.78 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 89 D 8.12 4.15 0.00 2.72 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 90 G 8.32 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 4.04 0.00 2.90 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 92 S 8.06 3.69 0.00 3.01 3.59 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 0.00 0.00 0.00 0.00 93 A 7.69 4.28 1.25 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 0.00 0.00 94 C 7.71 3.93 0.00 3.12 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 95 D 8.26 4.64 0.00 2.59 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.39 4.34 0.00 3.09 3.03 0.00 5.55 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.61 3.78 4.40 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 1.13 0.00 0.00 98 S 8.90 3.73 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.29 4.68 0.00 1.62 1.93 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.39 7.81 100 G 7.76 4.63 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 0.00 101 F 9.39 5.14 0.00 2.92 3.06 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 0.00 102 K 8.94 3.67 0.00 1.70 1.63 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.06 0.79 7.81 103 R 8.68 3.89 0.00 1.12 0.98 0.00 2.47 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 104 W 7.00 4.71 0.00 2.68 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 0.00 0.00 0.00 0.00 105 E 7.90 4.63 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 106 C 9.40 4.92 0.00 3.22 3.20 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 0.00 107 N 8.42 5.02 0.00 2.81 2.91 0.00 0.00 6.12 7.66 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 0.00 108 R 7.61 4.68 0.00 1.89 1.90 0.00 3.15 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 109 P 0.00 4.88 0.00 2.23 2.41 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 110 H 7.85 4.90 0.00 3.16 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.35 4.47 0.00 3.97 3.90 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 0.00 112 P 0.00 4.38 0.00 2.20 1.95 0.00 3.78 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 1.97 1.99 0.00 113 N 9.20 4.43 0.00 2.69 2.83 0.00 0.00 6.81 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 0.00 114 G 8.05 3.81 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 0.00 0.00 0.00 115 P 0.00 4.34 0.00 2.34 2.40 0.00 3.77 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 116 L 8.40 4.02 0.00 1.70 1.47 1.01 -0.52 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 K 7.91 4.59 0.00 1.27 1.15 0.00 0.82 0.00 0.00 1.05 0.00 0.00 2.57 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.57 0.21 7.81 118 F 8.20 4.54 0.00 1.78 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 0.00 119 S 8.27 4.95 0.00 3.58 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 0.00 120 E 9.10 4.61 0.00 2.26 1.49 0.00 0.00 0.00 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 1.78 0.00 121 K 8.37 4.03 0.00 1.51 1.50 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.99 0.51 7.81 122 F 7.58 3.78 0.00 2.75 2.52 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 0.00 123 Q 7.75 4.54 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 124 L 8.28 3.96 0.00 1.01 0.41 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.41 5.86 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.81 4.35 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 127 P 0.00 4.58 0.00 2.26 2.23 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 128 F 7.59 4.77 0.00 2.87 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 0.00 129 S 7.67 3.91 0.00 3.36 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 0.00 130 L 8.61 3.62 0.00 1.68 1.61 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.67 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 0.00 132 F 8.42 4.40 0.00 3.04 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 0.00 133 E 8.21 4.94 0.00 1.77 1.84 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 2.34 2.26 0.00 134 F 9.18 5.01 0.00 2.88 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 0.00 135 R 8.98 4.82 0.00 1.82 1.81 0.00 3.31 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 136 P 0.00 4.18 0.00 2.02 2.03 0.00 3.75 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 2.01 2.05 0.00 137 G 8.66 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 0.00 0.00 0.00 138 R 7.57 4.76 0.00 2.14 1.45 0.00 3.22 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 139 E 8.29 5.07 0.00 1.59 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 2.18 2.25 0.00 140 Y 8.69 4.45 0.00 2.94 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 0.00 141 F 8.41 5.48 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 10.06 6.14 0.00 3.36 3.02 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 0.00 143 I 8.78 5.74 2.05 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 1.63 1.22 1.14 0.00 0.00 144 S 9.08 5.58 0.00 4.05 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 0.00 145 S 8.99 5.01 0.00 4.04 4.09 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 0.00 146 A 9.02 4.50 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 0.00 147 I 8.48 3.98 1.83 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 1.32 0.59 0.92 0.00 0.00 148 P 0.00 4.15 0.00 2.15 2.14 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 *150 D 7.82 4.44 0.00 2.71 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 0.00 151 N 9.26 4.75 0.00 2.80 2.88 0.00 0.00 7.02 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 0.00 152 G 8.05 5.01 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 0.00 0.00 0.00 153 R 8.10 4.20 0.00 1.99 2.06 0.00 3.22 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 1.57 1.66 0.00 154 R 7.12 4.57 0.00 1.92 1.00 0.00 3.17 0.00 0.00 3.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 155 S 8.82 4.41 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 8.09 4.62 0.00 3.39 3.16 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 0.00 157 L 8.24 4.54 0.00 1.26 0.45 0.18 0.33 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 0.00 158 K 8.55 5.54 0.00 2.12 1.82 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.62 7.81 159 L 10.25 5.13 0.00 1.87 2.04 0.35 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.08 4.95 0.00 1.87 1.71 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 1.12 7.81 161 V 9.04 4.71 2.19 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 0.24 0.00 0.00 1.15 0.00 0.00 162 F 8.97 5.20 0.00 2.97 3.03 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 0.00 163 V 8.59 3.96 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 0.86 0.00 0.00 0.74 0.00 0.00 164 R 8.41 3.60 0.00 1.50 1.63 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 165 P 0.00 4.48 0.00 2.21 2.19 0.00 3.54 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 2.06 2.01 0.00 166 T 8.49 3.83 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 0.00 167 N 8.18 4.37 0.00 2.69 2.90 0.00 0.00 7.01 7.63 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 0.00 168 S 7.87 4.33 0.00 3.99 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 0.00 169 C 7.52 4.48 0.00 2.97 3.02 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 0.00 170 M 8.00 3.50 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.