NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2255 8.3149 120.1336 56.3864 33.0980 174.6813 11 R 3.9342 8.5065 123.0826 55.8613 30.1794 172.9046 12 E 4.0795 9.4771 125.0195 56.3666 30.4074 176.8316 13 E 4.1163 8.8153 124.5311 58.1819 30.0305 177.0113 14 E 4.6187 7.8001 117.7450 53.6335 31.3367 174.0505 15 P 4.4840 0.0000 0.0000 62.2061 32.1409 176.3827 16 R 4.1887 8.2272 118.2093 55.7424 30.9061 177.6345 17 L 4.0000 8.6559 123.0500 58.3364 42.3372 178.7185 18 S 4.2244 8.1359 112.8075 61.5330 63.1741 175.8034 19 Y 4.2242 7.7451 119.1470 57.9501 38.1152 177.3492 *21 I 3.9439 7.9483 120.4700 60.7871 39.4284 177.9401 22 A 3.8634 7.5554 121.8821 54.9567 17.9469 179.7998 23 R 3.6100 7.6980 116.8164 59.4439 30.0740 179.5392 24 V 3.5054 7.5064 117.3585 65.8365 31.5450 177.0101 25 D 4.2624 8.0313 117.8658 57.7328 40.9263 178.8759 26 R 3.8888 7.8330 118.0293 59.2584 30.1126 179.0765 27 I 3.7588 7.5411 119.4372 64.3417 37.0341 178.5780 28 I 3.6845 8.0163 120.8775 64.4965 36.9682 178.5725 29 S 4.1826 8.2685 116.1317 61.6517 62.8130 176.8020 30 K 4.1078 8.1849 122.2389 59.4130 31.7998 178.3873 31 Y 3.9806 8.0974 119.8743 60.7366 38.8419 177.6449 32 L 4.1836 8.3793 120.0382 58.2364 41.4242 179.5791 33 T 3.9179 8.5326 116.0852 66.5273 68.1231 176.2101 34 E 3.7577 7.7711 119.6715 59.7067 29.8956 178.3168 35 H 4.3321 8.0667 113.4318 57.2735 29.2283 176.7762 36 L 4.2981 7.9108 121.1337 56.2461 41.9172 178.6184 37 S 4.2359 7.5936 114.1458 61.6256 62.4341 176.4327 38 A 4.1468 7.9336 122.1534 53.8352 18.2467 178.2109 39 L 4.3326 8.0496 116.2726 53.3894 42.5286 176.1346 40 E 3.9008 8.0886 117.6401 56.9372 27.6249 174.7446 41 I 4.9381 7.4330 115.8030 58.4304 41.6601 174.9415 42 S 4.5238 8.9135 122.4606 57.6318 65.1272 175.2361 43 L 4.1359 8.4789 123.8199 58.1825 41.8358 177.4355 44 P 4.2933 0.0000 0.0000 65.6823 31.3115 178.6397 45 Q 4.0869 8.1787 116.6843 58.7687 28.5302 178.6207 46 F 4.2481 8.4842 121.7439 61.5585 39.5025 177.2085 47 T 3.2315 7.9123 115.2019 66.4642 68.1679 176.2841 48 A 3.9336 7.9130 123.7723 54.5556 18.4398 179.3865 49 L 3.8970 7.9566 118.7493 58.3554 42.2109 179.4547 50 S 4.0179 8.0567 115.3245 61.4904 62.7328 176.8141 51 V 3.5086 7.6626 120.8928 66.0373 31.0490 178.1458 52 L 3.9904 8.0296 117.6605 57.3455 41.4401 179.0314 53 A 4.1162 7.8122 120.1005 55.2485 18.4493 179.2975 54 A 4.2817 7.6288 117.4206 54.0580 19.5098 178.2299 55 K 4.5458 7.8738 116.1101 54.5329 33.6725 174.1467 56 P 4.3274 0.0000 0.0000 64.4059 31.8277 176.3831 57 N 4.7094 7.8651 115.2580 51.8181 37.8934 173.7821 58 L 4.4931 7.8653 124.0872 52.2852 45.3765 176.1421 59 S 4.3986 8.5212 120.8607 58.1303 65.2075 174.9126 60 N 4.2475 8.7391 119.8574 56.3856 38.1407 177.6260 61 A 3.9396 7.8509 121.6662 55.0246 18.5812 179.3892 62 K 3.8387 7.9257 118.1448 59.4830 32.4129 178.5879 63 L 3.8314 8.1455 120.5917 58.2101 41.9136 178.6825 64 A 3.9935 8.1087 120.8795 55.1988 18.3109 179.4596 65 E 3.9764 8.0027 115.7128 59.5333 29.7432 179.0648 66 R 4.0347 8.0926 116.8955 57.2343 30.0842 177.7192 67 S 3.9822 7.4158 113.7971 56.6537 63.7865 173.7556 68 F 3.8780 7.4166 119.1495 58.7607 36.7024 175.0434 69 I 4.7457 7.8942 112.1304 58.2472 40.6875 175.4133 70 K 4.1657 8.4168 121.2296 56.2929 33.1394 176.2537 71 P 4.3265 0.0000 0.0000 65.5618 31.5130 178.6725 72 Q 4.0151 7.9973 115.2303 58.8072 29.0471 177.5570 73 S 4.4201 8.2141 113.1805 58.9225 62.9621 175.6970 74 A 4.0178 7.7125 125.4502 55.3703 18.0953 179.5686 75 N 4.2818 8.0898 114.3763 56.2051 38.6858 177.2549 76 K 3.8941 8.0477 120.5404 59.6827 32.3162 178.6616 77 I 3.7382 7.8265 119.8882 64.2807 36.9345 178.3046 78 L 3.9929 7.9060 119.8088 58.0178 41.5403 179.3020 79 Q 3.9319 8.1913 119.2981 59.3346 28.9033 178.2631 80 D 4.2777 8.1356 119.7933 57.4106 40.8942 178.7671 81 L 4.1830 8.0595 119.4288 57.6976 41.6041 179.6844 82 L 4.0732 8.2297 118.9368 57.8523 41.4122 179.3924 83 A 3.9363 8.1557 119.6011 55.0447 18.3917 178.7448 84 N 4.0491 7.6521 112.4817 53.2302 38.4894 176.0603 85 G 3.8119 7.3973 108.4227 45.9794 0.0000 174.5245 86 W 5.1467 8.1063 121.2338 57.3320 30.5146 176.0407 87 I 5.3443 7.7746 111.4654 59.3127 40.7978 174.1947 88 E 4.7913 9.5550 119.8055 54.6397 33.3428 174.3626 89 K 5.0747 8.6644 120.6330 54.9360 33.9137 175.4063 90 A 4.7287 8.8596 126.0033 49.8141 23.0853 173.7258 91 P 5.2934 0.0000 0.0000 61.2775 32.6101 175.5276 92 D 4.1684 8.1357 117.5860 55.4863 39.3306 173.3142 *97 R 4.2970 7.4372 115.9041 55.1936 32.6032 176.4537 98 R 4.6381 7.7036 115.8272 55.4454 35.7212 175.0855 99 I 4.4381 8.4233 124.0066 61.0354 37.5369 174.8342 100 L 4.5539 8.8869 130.9004 53.3850 43.8494 175.6075 101 V 4.2659 8.4017 126.4939 63.0329 32.5853 174.9045 102 T 4.6132 9.0609 125.0129 61.5167 71.0182 173.7205 103 V 4.3368 8.4633 127.4012 62.8414 32.1573 175.8814 104 T 4.2283 8.6204 118.9330 60.8098 70.1089 173.9221 105 P 4.2282 0.0000 0.0000 65.8802 31.2369 178.6484 106 S 4.2717 8.3193 111.4281 61.5888 62.2296 176.3130 107 G 3.6735 8.4463 108.3596 47.8768 0.0000 175.7076 108 L 4.0086 8.1418 121.6211 57.5526 41.6922 179.0432 109 D 4.2793 8.4807 118.4028 56.9523 41.0384 178.3252 110 K 3.7282 8.0992 120.3762 59.2418 32.1270 178.5365 111 L 3.9552 7.7667 119.3475 58.0818 41.7409 179.0152 112 N 4.2443 8.2811 116.7223 56.8042 38.6457 176.7703 113 Q 3.9215 7.9892 119.2217 59.2509 28.8059 178.5710 114 C 3.7590 7.9398 117.6023 62.8728 28.0206 175.9599 115 N 4.3353 8.7329 118.2185 56.4177 38.0836 177.3465 116 Q 4.0101 7.9494 119.1418 58.9589 28.7840 179.1767 117 V 3.7467 7.3620 119.2178 65.8795 31.5888 178.2037 118 V 3.5371 7.8503 118.1061 66.1101 31.3549 177.6062 119 Q 3.9751 8.4715 119.6210 59.4098 28.7220 178.5646 120 Q 3.9344 8.1538 118.9028 58.7072 28.5514 178.1788 121 L 3.3844 7.6039 120.1294 58.3082 42.1045 178.7543 122 E 3.9823 8.4100 116.9446 59.1352 29.4084 178.8448 123 A 4.1521 7.9163 120.3726 54.8802 18.6500 178.8889 124 Q 4.1772 7.6711 116.6266 56.6697 29.4005 176.9253 *126 L 4.2825 7.7100 115.7169 53.6347 43.2473 176.2991 127 Q 4.0542 7.6761 118.4759 58.0443 28.5642 177.2800 128 G 3.8873 9.0805 111.3678 45.1334 0.0000 172.4190 129 V 4.2157 7.4605 119.7668 60.5571 33.0418 175.5986 130 D 4.4209 8.5824 126.4084 54.3891 42.6708 176.5758 131 I 3.7540 8.5680 126.0886 64.6136 37.9015 177.7137 132 N 4.4640 8.8763 117.5333 56.2536 38.2759 177.1571 133 L 3.9647 7.8615 121.1172 57.9301 42.2639 178.5773 134 A 3.8988 8.0427 120.8252 55.3144 18.3061 179.6967 135 F 3.9851 8.2837 116.2003 60.2601 39.0010 177.6869 136 L 4.0190 8.2863 120.2719 58.2616 41.8256 179.2023 137 I 3.6809 7.9869 119.7890 64.3605 37.1235 178.2355 138 R 3.8418 7.8718 119.5195 59.6187 29.9613 178.2751 139 N 4.5495 8.3062 116.0709 56.5906 38.3560 177.2685 140 N 4.4349 8.0727 116.6460 56.0227 38.6383 177.1302 141 L 4.1234 7.8995 120.0186 57.8605 41.8779 178.8239 142 E 4.1892 8.1350 118.3082 59.4300 29.3428 180.1518 143 L 4.1490 7.5509 115.7191 55.2572 41.2897 179.2359 *145 V 4.0359 7.7547 120.7181 62.9852 33.4415 177.7020 146 K 4.0577 7.8305 119.1686 59.4986 32.0069 179.1123 147 N 4.4754 8.3202 115.3391 55.4143 38.6956 175.7757 148 L 4.8737 7.5723 117.6978 54.2579 42.6197 178.2742 149 S 4.1699 7.9896 117.1144 61.7858 62.6715 176.7094 150 T 3.8084 8.0616 109.5816 63.6849 68.1689 174.2590 151 F 4.5832 8.1864 118.8065 57.0955 40.1986 176.6504 152 S 4.3194 8.1584 115.9818 61.3543 62.7258 174.7855 153 S 4.3494 7.9354 119.9054 58.3206 62.7252 173.8374 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 10 K 8.31 4.23 0.00 1.76 1.80 0.00 1.71 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 1.34 1.47 7.81 11 R 8.51 3.93 0.00 1.88 1.88 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 12 E 9.48 4.08 0.00 1.95 1.91 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 2.31 2.33 0.00 13 E 8.82 4.12 0.00 1.95 2.00 0.00 0.00 0.00 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 2.32 0.00 14 E 7.80 4.62 0.00 1.91 1.81 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 2.20 2.17 0.00 15 P 0.00 4.48 0.00 2.35 2.05 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 16 R 8.23 4.19 0.00 1.93 1.91 0.00 3.36 0.00 0.00 3.49 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 17 L 8.66 4.00 0.00 1.58 1.71 0.91 0.92 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 18 S 8.14 4.22 0.00 4.03 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 19 Y 7.75 4.22 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 I 7.95 3.94 1.95 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 1.29 0.71 0.83 0.00 0.00 22 A 7.56 3.86 1.16 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 23 R 7.70 3.61 0.00 1.56 1.84 0.00 3.27 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.00 24 V 7.51 3.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.87 0.00 0.00 25 D 8.03 4.26 0.00 2.63 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 26 R 7.83 3.89 0.00 1.84 1.93 0.00 3.31 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 27 I 7.54 3.76 1.85 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 1.53 0.97 0.94 0.00 0.00 28 I 8.02 3.68 1.96 0.00 0.00 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 1.43 0.62 0.91 0.00 0.00 29 S 8.27 4.18 0.00 3.98 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 30 K 8.18 4.11 0.00 1.97 1.99 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 31 Y 8.10 3.98 0.00 3.21 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 32 L 8.38 4.18 0.00 1.87 1.83 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.53 3.92 4.31 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 1.23 0.00 0.00 34 E 7.77 3.76 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 35 H 8.07 4.33 0.00 3.05 3.27 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.91 4.30 0.00 1.72 1.81 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.59 4.24 0.00 4.08 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 0.00 38 A 7.93 4.15 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 39 L 8.05 4.33 0.00 1.60 1.62 0.78 0.91 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 40 E 8.09 3.90 0.00 2.21 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 0.00 2.30 2.42 0.00 41 I 7.43 4.94 1.76 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 1.54 1.12 0.81 0.00 0.00 42 S 8.91 4.52 0.00 4.20 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 43 L 8.48 4.14 0.00 1.88 1.81 1.18 1.01 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 44 P 0.00 4.29 0.00 2.25 2.13 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 45 Q 8.18 4.09 0.00 2.47 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 46 F 8.48 4.25 0.00 3.01 3.30 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 47 T 7.91 3.23 4.21 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 0.85 0.00 0.00 48 A 7.91 3.93 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 49 L 7.96 3.90 0.00 1.97 1.87 1.02 0.60 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 50 S 8.06 4.02 0.00 3.70 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 51 V 7.66 3.51 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 0.94 0.00 0.00 0.82 0.00 0.00 52 L 8.03 3.99 0.00 1.63 1.72 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.81 4.12 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 54 A 7.63 4.28 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 55 K 7.87 4.55 0.00 1.68 1.69 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.38 7.81 56 P 0.00 4.33 0.00 2.04 2.25 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 57 N 7.87 4.71 0.00 2.68 2.79 0.00 0.00 6.62 7.85 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 58 L 7.87 4.49 0.00 1.65 1.47 0.90 0.96 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 59 S 8.52 4.40 0.00 4.08 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 60 N 8.74 4.25 0.00 2.83 2.91 0.00 0.00 6.73 7.08 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 61 A 7.85 3.94 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 62 K 7.93 3.84 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 63 L 8.15 3.83 0.00 1.80 1.83 0.86 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.11 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.00 3.98 0.00 2.23 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 0.00 2.47 2.35 0.00 66 R 8.09 4.03 0.00 1.76 1.86 0.00 3.08 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 67 S 7.42 3.98 0.00 3.89 3.69 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 68 F 7.42 3.88 0.00 3.26 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 69 I 7.89 4.75 1.89 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 1.51 0.67 0.97 0.00 0.00 70 K 8.42 4.17 0.00 2.14 2.01 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.48 7.81 71 P 0.00 4.33 0.00 2.20 2.16 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 72 Q 8.00 4.02 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 73 S 8.21 4.42 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.71 4.02 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 75 N 8.09 4.28 0.00 2.75 2.88 0.00 0.00 6.75 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 76 K 8.05 3.89 0.00 1.82 1.95 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.55 7.81 77 I 7.83 3.74 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 1.70 1.04 0.95 0.00 0.00 78 L 7.91 3.99 0.00 1.87 1.73 0.96 1.03 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 79 Q 8.19 3.93 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 80 D 8.14 4.28 0.00 2.94 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 81 L 8.06 4.18 0.00 1.90 1.90 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.23 4.07 0.00 1.81 1.67 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.16 3.94 1.22 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 0.00 0.00 0.00 84 N 7.65 4.05 0.00 1.44 1.42 0.00 0.00 7.09 7.11 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 85 G 7.40 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 86 W 8.11 5.15 0.00 3.51 3.10 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 87 I 7.77 5.34 2.00 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 1.46 0.69 1.01 0.00 0.00 88 E 9.56 4.79 0.00 1.95 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 2.19 2.28 0.00 89 K 8.66 5.07 0.00 1.64 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81 90 A 8.86 4.73 1.19 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 91 P 0.00 5.29 0.00 1.95 2.01 0.00 3.88 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 92 D 8.14 4.17 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 R 7.44 4.30 0.00 1.91 1.80 0.00 3.34 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 98 R 7.70 4.64 0.00 1.72 1.76 0.00 3.12 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 99 I 8.42 4.44 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 1.23 0.34 0.91 0.00 0.00 100 L 8.89 4.55 0.00 1.67 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.40 4.27 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 0.85 0.00 0.00 0.94 0.00 0.00 102 T 9.06 4.61 4.43 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 1.27 0.00 0.00 103 V 8.46 4.34 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 0.88 0.00 0.00 0.95 0.00 0.00 104 T 8.62 4.23 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 1.42 0.00 0.00 105 P 0.00 4.23 0.00 2.21 2.17 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 106 S 8.32 4.27 0.00 3.99 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 0.00 107 G 8.45 3.67 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 0.00 0.00 0.00 108 L 8.14 4.01 0.00 1.87 1.73 0.93 1.18 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 0.00 109 D 8.48 4.28 0.00 2.77 2.80 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 0.00 110 K 8.10 3.73 0.00 1.52 1.48 0.00 1.15 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.85 7.81 111 L 7.77 3.96 0.00 1.90 1.74 0.92 0.59 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 0.00 112 N 8.28 4.24 0.00 2.73 2.96 0.00 0.00 7.30 6.80 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 0.00 113 Q 7.99 3.92 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 114 C 7.94 3.76 0.00 2.57 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 0.00 115 N 8.73 4.34 0.00 2.69 2.90 0.00 0.00 7.05 8.09 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 0.00 116 Q 7.95 4.01 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 117 V 7.36 3.75 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 1.05 0.00 0.00 0.87 0.00 0.00 118 V 7.85 3.54 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 0.79 0.00 0.00 1.08 0.00 0.00 119 Q 8.47 3.98 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 120 Q 8.15 3.93 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 121 L 7.60 3.38 0.00 0.94 1.65 -0.26 0.70 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 0.00 122 E 8.41 3.98 0.00 1.91 1.91 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 2.24 2.41 0.00 123 A 7.92 4.15 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 0.00 124 Q 7.67 4.18 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 *126 L 7.71 4.28 0.00 1.77 1.66 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.68 4.05 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.64 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 128 G 9.08 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 0.00 129 V 7.46 4.22 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 0.77 0.00 0.00 0.91 0.00 0.00 130 D 8.58 4.42 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.57 3.75 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.42 0.97 0.00 0.00 132 N 8.88 4.46 0.00 2.95 2.89 0.00 0.00 6.64 7.15 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 0.00 133 L 7.86 3.96 0.00 1.77 1.90 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.04 3.90 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 0.00 135 F 8.28 3.99 0.00 3.13 3.13 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 0.00 0.00 0.00 136 L 8.29 4.02 0.00 1.90 1.85 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.99 3.68 2.04 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 1.39 0.55 0.87 0.00 0.00 138 R 7.87 3.84 0.00 1.85 2.06 0.00 3.27 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 1.58 1.73 0.00 139 N 8.31 4.55 0.00 3.00 2.88 0.00 0.00 7.07 6.41 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 0.00 140 N 8.07 4.43 0.00 2.71 2.88 0.00 0.00 7.11 7.35 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 0.00 141 L 7.90 4.12 0.00 1.79 1.73 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.13 4.19 0.00 2.28 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 2.35 2.63 0.00 143 L 7.55 4.15 0.00 1.94 1.68 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *145 V 7.75 4.04 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 1.03 0.00 0.00 0.99 0.00 0.00 146 K 7.83 4.06 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.62 7.81 147 N 8.32 4.48 0.00 2.73 2.91 0.00 0.00 6.89 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 0.00 148 L 7.57 4.87 0.00 1.70 1.70 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.99 4.17 0.00 4.02 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 0.00 150 T 8.06 3.81 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 1.18 0.00 0.00 151 F 8.19 4.58 0.00 3.19 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 0.00 152 S 8.16 4.32 0.00 4.20 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.94 4.35 0.00 3.85 3.80 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 * Residues marked with a * may have inaccurate shift predictions.