NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.2725 8.3144 120.1339 56.2071 33.2284 174.3905 22 E 4.4447 8.8357 122.1765 53.1803 32.3866 173.3157 23 Q 4.1958 9.6207 129.9434 56.6111 29.6127 174.9979 24 L 4.3513 9.0554 127.3590 56.6306 42.5435 176.5174 25 Y 5.0185 7.7104 115.2646 56.5573 42.5670 174.1413 26 T 5.0284 8.5960 112.0198 60.6667 71.8288 173.7534 27 G 3.9067 8.7213 106.4849 46.2894 0.0000 173.6718 28 L 4.3818 7.7808 119.6904 53.5702 42.8297 177.0114 29 T 4.3673 8.1237 112.0864 61.4691 70.9328 175.4575 30 E 3.9383 8.6396 121.5390 59.4434 29.5384 179.6245 31 K 3.9184 7.9429 119.0695 59.5154 32.3394 178.3484 32 E 4.1894 8.3840 120.5714 58.7179 29.5626 178.4976 33 A 3.8949 8.1085 120.8523 55.2770 18.3225 179.3825 34 N 4.2771 8.2376 114.8994 56.4673 38.3918 177.6969 35 Q 3.9012 8.0512 119.3893 59.1807 28.8116 178.8126 36 M 3.5730 7.7563 119.8168 58.0598 31.8489 178.5748 37 Q 3.8585 8.3481 119.8463 59.1741 29.2789 178.1965 38 A 3.9273 8.1630 122.0549 54.9457 18.2035 179.1952 39 L 3.8843 7.8824 118.7873 58.3678 42.1461 179.3223 40 L 3.9975 7.8495 118.6784 57.9165 41.6453 179.5559 41 L 4.1466 8.1619 119.3377 57.6606 41.3184 179.4017 42 S 4.3926 8.1300 112.6416 59.9983 63.1844 175.0316 43 N 4.8294 7.4334 119.3025 52.3649 39.3356 174.1174 44 D 4.3185 7.7250 117.4632 55.5889 38.9285 174.2119 45 V 4.2410 7.6443 118.7860 60.7546 32.5760 174.8893 46 N 4.5511 8.6839 125.8780 53.3407 39.0160 174.8973 47 V 4.8673 8.1089 121.5567 60.0665 34.7141 174.4689 48 S 4.9369 9.0324 117.3547 56.4877 66.2167 172.6882 49 K 5.2322 8.5096 121.6425 54.8528 35.1329 174.8197 50 E 4.8066 9.0195 123.1228 55.1560 33.6151 173.3057 51 M 4.9855 8.5690 120.5615 54.3095 34.2285 175.2804 52 D 4.8638 8.6212 125.6848 51.8917 42.1183 177.1918 53 K 4.1204 8.6811 116.7277 58.8953 32.1108 178.3018 54 S 4.3671 8.2330 113.0841 58.5949 63.2201 174.8450 55 G 3.9058 8.3622 108.9406 45.3119 0.0000 173.0146 56 N 4.9713 8.2708 116.8668 51.9333 41.4950 173.7559 57 M 5.0060 8.9127 120.6266 54.3313 34.6832 175.3103 58 T 5.2173 8.8533 119.2887 61.8051 71.7599 173.0849 59 L 5.3193 8.8920 125.7479 53.1968 44.6162 175.7620 60 S 5.2218 9.0648 117.8191 57.0750 67.5125 173.3583 61 V 4.6784 8.6798 114.3511 59.1757 36.6127 174.9385 62 A 4.2950 8.5519 124.2795 51.9362 19.1785 178.3739 63 A 4.2613 9.2181 124.9754 54.8301 18.0818 180.1765 64 A 4.1329 8.0365 116.8178 54.2973 18.7405 178.2382 65 D 4.7376 8.0829 116.5180 54.0165 41.2552 177.9182 66 F 4.0468 8.1145 123.3993 61.5339 39.3364 177.2558 67 V 3.4828 7.9112 117.1478 65.9100 31.3485 177.7252 68 R 3.8197 7.9650 117.7597 59.2533 29.9087 178.1417 69 A 3.9241 8.1019 120.6593 55.3587 18.4520 179.7262 70 I 3.5834 7.4760 118.2704 64.5711 37.0238 178.7834 71 T 3.8158 8.0169 116.7541 66.6943 68.1798 176.5620 72 I 3.7085 7.9141 121.6879 64.4510 37.1695 178.5026 73 L 4.1677 8.2477 119.9801 57.9467 41.4816 179.2189 74 N 4.3399 8.6995 116.6832 56.6743 38.3405 177.2633 75 N 4.4996 8.2973 116.0081 55.2720 38.6330 176.1514 76 N 4.8604 7.6024 115.8582 52.1221 39.1584 175.1088 77 G 3.7172 7.8263 108.9300 46.2347 0.0000 173.2642 78 F 4.8691 7.8582 117.6536 54.5263 40.6656 174.4175 79 P 4.6828 0.0000 0.0000 62.1623 31.9555 176.3965 80 K 4.2727 9.2531 120.3212 55.5651 32.5170 177.6366 81 K 3.9185 8.3234 122.5234 56.4652 32.5887 176.6281 82 K 4.2909 7.8159 120.6307 54.8739 34.1310 175.5136 83 F 4.8705 8.0239 117.6099 55.0108 42.8132 174.9521 84 A 4.0426 8.6429 124.8936 52.5943 18.9166 177.0394 85 D 4.7830 8.3365 120.6380 52.5477 43.5898 177.3376 86 I 3.5816 8.0901 126.2604 64.3838 37.9692 177.6234 87 E 4.0510 8.7096 119.1093 58.3690 29.0085 179.3084 88 V 3.6117 7.3689 117.5254 65.7893 32.0310 177.5063 89 I 3.6760 7.3705 117.9974 62.9666 38.0355 176.4828 90 F 5.0312 7.7385 117.1439 55.2842 39.2263 172.7346 91 P 5.1720 0.0000 0.0000 62.9859 31.7616 176.9068 *98 S 4.1162 7.8325 113.3431 57.3107 63.5398 171.5540 99 P 4.1766 0.0000 0.0000 66.1093 31.2017 178.6255 100 S 4.0816 7.9159 112.1307 61.4396 63.0987 176.0237 101 Q 3.1978 7.5375 122.2504 58.4153 28.6372 177.8187 102 E 3.8482 8.4423 120.8518 59.4653 29.7250 178.6698 103 N 4.3297 8.2282 116.2254 56.0049 38.5017 177.3177 104 A 4.0111 7.8858 122.4664 55.1344 18.4231 179.8796 105 K 4.0778 7.9434 116.5450 59.5402 32.1212 179.7522 106 I 3.7397 8.0053 120.3461 64.2959 36.9357 177.9843 107 N 4.3030 8.4017 118.0357 56.7975 38.7281 176.2827 108 Y 4.3780 8.2154 122.3312 60.1011 38.8234 177.6564 109 L 3.7364 8.1746 121.3226 58.0553 42.1449 178.9223 110 K 3.8790 8.0008 119.4202 59.4602 32.1880 178.5231 111 E 3.9160 8.3041 119.0184 59.6643 29.3172 179.4834 112 Q 3.9479 7.9746 118.0884 58.8880 28.6928 178.4871 113 D 4.3010 8.2603 120.2367 57.4515 40.7685 179.0145 114 I 3.7327 7.8740 120.2810 64.2908 37.1314 178.2691 115 E 3.9214 8.3458 119.6997 59.3793 29.0635 179.3580 116 R 3.8601 7.9739 117.8402 59.2622 30.4162 178.0828 117 L 4.0737 7.9074 119.9645 58.3328 42.1978 179.0402 118 L 4.0659 8.2360 119.1162 57.6565 41.3028 179.2171 119 S 4.3525 7.9739 113.4365 60.0894 62.8955 175.6479 120 K 4.3168 7.8133 120.2832 56.2095 32.5332 176.9871 121 I 3.8328 7.2632 122.3627 60.1407 37.4169 173.7978 122 P 4.4320 0.0000 0.0000 64.4654 31.6558 176.4271 123 G 3.9732 9.0603 111.2864 45.1933 0.0000 173.1534 124 V 4.1993 7.4964 120.2593 62.5635 31.7881 175.3584 125 I 4.5272 8.4411 119.9899 60.9804 39.3063 174.7321 126 D 4.7199 7.8333 120.8970 53.9127 44.6097 173.1939 127 C 5.2155 8.2762 121.2797 58.4874 34.7905 173.1058 128 S 4.9595 9.1880 121.0315 56.7363 66.6592 173.0649 129 V 4.8102 8.9226 123.5089 61.0647 34.1654 174.4954 130 S 4.8666 9.1338 122.4094 56.6087 64.8157 172.3471 131 L 4.8788 9.1510 127.6531 53.0900 43.9209 176.2206 132 N 4.7797 9.1773 122.1538 51.8005 40.4774 172.6720 133 V 4.5145 8.3856 124.4773 59.1465 32.6464 173.3795 *140 P 4.2549 0.0000 0.0000 62.4073 31.6992 176.6392 141 S 4.7798 8.4146 119.8472 58.6258 64.3512 173.1713 142 S 4.8291 9.0821 114.9631 57.3868 66.9800 172.6465 143 A 5.1361 9.0054 120.6325 50.4953 22.9317 174.9039 144 A 5.1296 8.9564 122.4933 50.0737 22.1898 175.6971 145 V 4.6623 8.9585 121.9588 61.0922 34.9833 173.6950 146 L 5.0919 8.8327 130.4751 53.2743 44.3766 174.9308 147 V 4.7165 8.8710 126.4622 61.1705 34.4066 173.9304 148 I 4.9180 8.8431 129.4554 59.8729 39.0683 175.0747 149 S 5.2435 8.8551 122.0953 56.1329 66.1830 173.5274 150 S 4.5742 8.8285 116.6681 58.1991 62.6339 173.7293 151 P 4.4234 0.0000 0.0000 64.5382 31.1581 176.6884 152 E 4.3820 7.9448 117.0874 56.1823 29.9985 175.8272 153 V 4.2385 7.5322 119.2657 60.7352 33.6431 174.2613 154 N 4.6363 8.7107 125.8488 52.7046 38.7361 174.2539 155 L 4.4379 8.2833 125.0711 54.7232 42.9886 178.4998 156 A 4.0103 8.0247 121.8857 54.8980 18.0568 177.7813 157 P 4.3732 0.0000 0.0000 64.7634 31.6582 177.8534 158 S 4.5259 7.9262 113.3239 58.5641 62.9077 175.8908 159 V 3.5685 7.5788 122.7920 66.2973 31.2138 178.0461 160 I 3.7920 7.6855 118.9309 64.2281 37.0206 178.2369 161 Q 3.9867 8.0147 118.5346 59.0469 28.6440 178.7789 162 I 3.7122 7.9959 120.9325 64.3199 37.0659 178.5569 163 K 3.9471 8.4042 119.7082 59.7357 32.0054 179.1863 164 N 4.3517 8.4000 116.6848 56.0440 38.1860 177.5541 165 L 3.9765 7.8038 119.8032 57.7625 42.0691 179.4204 166 V 3.6981 7.8758 118.1382 65.7288 31.0651 177.6977 167 K 3.8227 8.2152 119.6438 59.7539 31.8462 177.7818 168 N 4.6909 7.7786 112.6242 54.3694 38.8329 176.8036 169 S 4.3480 7.7812 116.4497 58.9491 63.5253 174.2414 170 V 4.4099 6.7733 119.2657 60.2395 34.1144 174.5570 171 D 4.2249 8.7205 126.1232 55.6229 42.2438 175.5529 172 D 4.3080 8.7447 125.1901 55.5989 39.3174 172.6140 173 L 4.9383 7.5662 119.0990 53.2114 45.1828 175.2595 174 K 4.5999 8.2632 124.6614 54.2858 34.6696 176.8913 175 L 3.9395 8.6155 123.6336 58.3280 41.9676 179.2640 176 E 4.1117 8.1812 114.3565 58.5295 29.8240 176.7598 177 N 5.0259 8.1985 117.3140 52.9951 40.0497 173.9150 178 I 4.9595 7.6981 119.7583 59.7081 39.8778 175.2254 179 S 4.6842 8.8834 123.8042 56.9624 64.6886 173.2880 180 V 4.7719 8.4233 124.9593 61.0470 33.3999 174.6140 181 V 4.4594 8.8860 128.2783 61.0855 34.2153 173.9823 182 I 5.0529 8.4303 127.9942 59.5267 39.4052 175.0852 183 K 4.6907 8.9400 125.5301 54.5365 35.7995 175.5186 184 S 4.9311 8.5617 118.3814 57.2259 64.2098 173.9656 185 S 4.4005 8.4369 119.7593 58.8073 62.2521 173.9896 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 21 K 8.31 4.27 0.00 1.76 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.38 7.81 22 E 8.84 4.44 0.00 1.99 1.92 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 2.19 2.26 0.00 23 Q 9.62 4.20 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 24 L 9.06 4.35 0.00 1.70 1.50 0.92 0.58 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 25 Y 7.71 5.02 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.60 5.03 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 1.24 0.00 0.00 27 G 8.72 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 0.00 0.00 0.00 28 L 7.78 4.38 0.00 1.84 1.57 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.12 4.37 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 1.22 0.00 0.00 30 E 8.64 3.94 0.00 2.03 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 0.00 2.40 2.37 0.00 31 K 7.94 3.92 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 32 E 8.38 4.19 0.00 2.15 1.93 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 2.27 2.28 0.00 33 A 8.11 3.89 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 34 N 8.24 4.28 0.00 2.90 2.85 0.00 0.00 7.04 7.18 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 35 Q 8.05 3.90 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 36 M 7.76 3.57 0.00 1.80 1.85 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 1.73 1.62 0.00 37 Q 8.35 3.86 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 38 A 8.16 3.93 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 39 L 7.88 3.88 0.00 1.84 1.80 0.97 0.62 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 40 L 7.85 4.00 0.00 1.86 1.68 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.16 4.15 0.00 1.81 1.71 0.91 0.96 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 42 S 8.13 4.39 0.00 4.03 3.99 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 43 N 7.43 4.83 0.00 2.79 2.85 0.00 0.00 6.99 7.90 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 44 D 7.72 4.32 0.00 2.83 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 45 V 7.64 4.24 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 0.79 0.00 0.00 0.98 0.00 0.00 46 N 8.68 4.55 0.00 2.76 2.75 0.00 0.00 6.93 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 47 V 8.11 4.87 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 0.78 0.00 0.00 0.94 0.00 0.00 48 S 9.03 4.94 0.00 3.88 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 49 K 8.51 5.23 0.00 1.72 1.65 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.40 7.81 50 E 9.02 4.81 0.00 2.04 1.97 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 2.19 2.25 0.00 51 M 8.57 4.99 0.00 2.04 1.99 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 2.44 2.52 0.00 52 D 8.62 4.86 0.00 2.80 2.82 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 53 K 8.68 4.12 0.00 1.77 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.46 7.81 54 S 8.23 4.37 0.00 3.86 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 55 G 8.36 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 0.00 0.00 0.00 56 N 8.27 4.97 0.00 2.84 2.64 0.00 0.00 6.93 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 57 M 8.91 5.01 0.00 1.90 1.96 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 2.54 2.74 0.00 58 T 8.85 5.22 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 59 L 8.89 5.32 0.00 1.64 1.57 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.06 5.22 0.00 3.72 3.78 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 61 V 8.68 4.68 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 0.75 0.00 0.00 0.99 0.00 0.00 62 A 8.55 4.30 1.27 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 0.00 0.00 0.00 63 A 9.22 4.26 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 64 A 8.04 4.13 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 65 D 8.08 4.74 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.11 4.05 0.00 3.12 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 67 V 7.91 3.48 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 1.07 0.00 0.00 1.11 0.00 0.00 68 R 7.97 3.82 0.00 1.92 1.90 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 69 A 8.10 3.92 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 70 I 7.48 3.58 1.48 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.19 0.87 0.00 0.00 71 T 8.02 3.82 4.38 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 1.21 0.00 0.00 72 I 7.91 3.71 2.01 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 1.53 0.71 0.94 0.00 0.00 73 L 8.25 4.17 0.00 1.75 1.99 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.70 4.34 0.00 2.91 2.89 0.00 0.00 7.09 6.86 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 75 N 8.30 4.50 0.00 2.90 2.89 0.00 0.00 7.00 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.60 4.86 0.00 2.95 2.96 0.00 0.00 7.01 7.55 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 77 G 7.83 3.72 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 0.00 0.00 0.00 78 F 7.86 4.87 0.00 3.01 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 79 P 0.00 4.68 0.00 2.02 1.71 0.00 3.54 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.24 0.00 80 K 9.25 4.27 0.00 1.77 1.75 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.41 1.48 7.81 81 K 8.32 3.92 0.00 1.47 1.25 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.36 7.81 82 K 7.82 4.29 0.00 1.56 1.62 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.31 7.81 83 F 8.02 4.87 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.64 4.04 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 85 D 8.34 4.78 0.00 2.70 2.49 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 0.00 0.00 0.00 86 I 8.09 3.58 1.52 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.35 0.08 0.00 0.00 87 E 8.71 4.05 0.00 2.23 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 2.24 2.46 0.00 88 V 7.37 3.61 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 0.82 0.00 0.00 0.90 0.00 0.00 89 I 7.37 3.68 1.27 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 -0.20 0.00 0.00 90 F 7.74 5.03 0.00 3.11 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 91 P 0.00 5.17 0.00 2.06 2.09 0.00 3.83 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 *98 S 7.83 4.12 0.00 3.87 3.71 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 99 P 0.00 4.18 0.00 2.15 2.09 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 100 S 7.92 4.08 0.00 3.99 4.07 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 0.00 101 Q 7.54 3.20 0.00 1.71 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.11 1.54 0.00 102 E 8.44 3.85 0.00 2.13 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 2.28 2.37 0.00 103 N 8.23 4.33 0.00 2.78 2.83 0.00 0.00 6.97 6.37 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 0.00 104 A 7.89 4.01 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 0.00 105 K 7.94 4.08 0.00 1.99 1.92 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.60 7.81 106 I 8.01 3.74 2.00 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 1.57 0.95 0.91 0.00 0.00 107 N 8.40 4.30 0.00 2.98 3.04 0.00 0.00 6.86 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 0.00 108 Y 8.22 4.38 0.00 3.17 3.21 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 0.00 109 L 8.17 3.74 0.00 1.83 1.84 0.89 0.65 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 0.00 110 K 8.00 3.88 0.00 1.91 1.92 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 111 E 8.30 3.92 0.00 2.11 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 2.38 2.51 0.00 112 Q 7.97 3.95 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 113 D 8.26 4.30 0.00 2.78 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 0.00 114 I 7.87 3.73 1.95 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 1.50 0.81 0.89 0.00 0.00 115 E 8.35 3.92 0.00 2.09 1.97 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 2.30 2.46 0.00 116 R 7.97 3.86 0.00 1.83 2.10 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 117 L 7.91 4.07 0.00 1.84 1.79 0.91 0.56 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 0.00 118 L 8.24 4.07 0.00 1.69 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.97 4.35 0.00 4.00 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 0.00 120 K 7.81 4.32 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.66 7.81 121 I 7.26 3.83 1.97 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 1.29 0.99 0.91 0.00 0.00 122 P 0.00 4.43 0.00 2.03 2.01 0.00 3.64 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 2.03 2.10 0.00 123 G 9.06 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 0.00 124 V 7.50 4.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 125 I 8.44 4.53 1.88 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 1.24 0.85 0.92 0.00 0.00 126 D 7.83 4.72 0.00 2.75 2.49 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 0.00 0.00 0.00 127 C 8.28 5.22 0.00 2.97 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 0.00 128 S 9.19 4.96 0.00 3.72 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 0.00 129 V 8.92 4.81 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 0.72 0.00 0.00 0.91 0.00 0.00 130 S 9.13 4.87 0.00 3.87 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 0.00 131 L 9.15 4.88 0.00 1.68 1.55 0.94 1.24 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 0.00 132 N 9.18 4.78 0.00 2.75 2.83 0.00 0.00 6.55 8.53 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 0.00 133 V 8.39 4.51 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 1.03 0.00 0.00 0.93 0.00 0.00 *140 P 0.00 4.25 0.00 2.24 2.11 0.00 3.82 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 1.88 1.99 0.00 141 S 8.41 4.78 0.00 3.92 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 0.00 142 S 9.08 4.83 0.00 3.94 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 0.00 143 A 9.01 5.14 1.20 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 0.00 144 A 8.96 5.13 1.20 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 0.00 145 V 8.96 4.66 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 1.00 0.00 0.00 0.92 0.00 0.00 146 L 8.83 5.09 0.00 1.77 1.46 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.87 4.72 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 0.99 0.00 0.00 0.92 0.00 0.00 148 I 8.84 4.92 1.87 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 1.27 0.89 0.91 0.00 0.00 149 S 8.86 5.24 0.00 3.93 3.95 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 0.00 150 S 8.83 4.57 0.00 3.91 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 0.00 151 P 0.00 4.42 0.00 2.22 2.18 0.00 3.42 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 1.99 1.96 0.00 152 E 7.94 4.38 0.00 2.00 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 2.28 2.37 0.00 153 V 7.53 4.24 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 0.00 154 N 8.71 4.64 0.00 2.72 2.73 0.00 0.00 7.10 7.78 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 0.00 155 L 8.28 4.44 0.00 1.74 1.66 0.93 0.78 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 0.00 156 A 8.02 4.01 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 0.00 157 P 0.00 4.37 0.00 2.03 2.12 0.00 3.74 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 2.02 2.17 0.00 158 S 7.93 4.53 0.00 4.02 3.87 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 0.00 159 V 7.58 3.57 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 1.09 0.00 0.00 0.98 0.00 0.00 160 I 7.69 3.79 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 1.63 0.69 0.91 0.00 0.00 161 Q 8.01 3.99 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 162 I 8.00 3.71 2.00 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 0.93 0.90 0.00 0.00 163 K 8.40 3.95 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.66 7.81 164 N 8.40 4.35 0.00 2.81 2.86 0.00 0.00 7.05 6.25 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 0.00 165 L 7.80 3.98 0.00 1.77 1.72 0.91 0.72 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 0.00 166 V 7.88 3.70 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 0.98 0.00 0.00 0.99 0.00 0.00 167 K 8.22 3.82 0.00 1.94 1.97 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.65 7.81 168 N 7.78 4.69 0.00 2.87 2.84 0.00 0.00 7.14 7.06 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 0.00 169 S 7.78 4.35 0.00 4.00 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 0.00 170 V 6.77 4.41 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 0.76 0.00 0.00 0.98 0.00 0.00 171 D 8.72 4.22 0.00 2.65 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 0.00 172 D 8.74 4.31 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.57 4.94 0.00 1.57 1.49 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.26 4.60 0.00 1.84 1.68 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.39 7.81 175 L 8.62 3.94 0.00 1.71 1.67 0.97 0.83 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 0.00 176 E 8.18 4.11 0.00 2.11 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 0.00 2.27 2.33 0.00 177 N 8.20 5.03 0.00 2.70 2.82 0.00 0.00 6.59 7.59 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 0.00 178 I 7.70 4.96 1.86 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 1.22 0.77 0.90 0.00 0.00 179 S 8.88 4.68 0.00 3.77 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 0.00 180 V 8.42 4.77 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 0.77 0.00 0.00 0.92 0.00 0.00 181 V 8.89 4.46 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 0.98 0.00 0.00 0.92 0.00 0.00 182 I 8.43 5.05 1.86 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 1.34 0.76 0.96 0.00 0.00 183 K 8.94 4.69 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.48 7.81 184 S 8.56 4.93 0.00 3.90 3.71 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 0.00 185 S 8.44 4.40 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.