NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4088 8.1885 115.4134 57.7693 64.6894 174.3693 3 A 3.7957 8.4878 123.4317 54.3297 18.1195 178.4998 4 K 3.8734 8.7906 118.9824 59.9072 32.9203 177.0298 5 D 4.3755 7.9708 118.6522 57.3195 40.4820 178.4038 6 E 3.9691 8.3890 119.9900 59.1418 29.6020 178.9174 7 R 3.8956 8.2448 118.7799 59.2738 30.1722 178.3596 8 A 4.0646 8.0826 120.6091 55.0946 18.2854 179.8390 9 R 3.9307 7.9502 116.3837 59.2220 30.1105 179.0589 10 E 3.9828 7.8551 118.6006 59.2106 29.2127 179.3306 11 I 3.6477 7.4682 118.8922 64.3696 37.5270 178.1422 12 L 4.1288 7.9859 119.7105 57.9709 41.3010 179.7309 13 R 4.0842 8.1188 117.2250 58.6083 30.3016 177.6990 14 G 4.0528 7.9743 105.0005 43.0820 0.0000 172.4634 15 F 5.1472 7.3157 123.1273 56.9235 41.1625 175.1333 16 K 4.1056 7.1220 125.0185 55.0516 36.0620 174.2968 17 L 4.3083 8.1743 130.0799 54.0991 41.6520 175.8335 18 N 4.6402 8.9386 125.6581 55.6713 39.5318 175.3213 19 W 5.2289 7.1403 113.1590 55.9708 31.7549 172.5639 20 M 5.7181 9.2542 119.7912 54.2656 35.7268 173.3133 21 N 5.3292 9.5072 121.2112 51.5838 42.0487 172.8090 22 L 5.3615 9.5020 118.5616 53.1758 45.4232 176.3378 23 R 4.9710 9.2500 122.3409 54.2517 34.4776 174.5402 24 D 4.8785 8.9588 121.6351 53.1770 41.4272 176.8842 25 A 3.9543 8.7782 130.7414 55.3937 18.7490 178.2594 26 E 4.1164 8.1234 114.3218 59.3536 29.5629 178.3565 27 T 4.2252 8.0891 105.8219 60.9662 70.1111 175.5311 28 G 3.8194 8.7889 109.9210 45.5651 0.0000 172.5810 29 K 4.4076 7.7101 121.3732 54.7454 33.7541 175.9795 30 I 4.2028 8.3044 128.5739 61.7403 36.9576 175.8996 31 L 4.4371 9.4885 128.5396 56.6782 42.8755 177.2229 32 W 4.7310 7.6880 125.3298 56.4440 34.1729 173.1358 33 Q 3.8387 7.7780 127.2750 54.0697 31.3679 173.8548 34 G 3.7167 7.4383 114.5478 46.4905 0.0000 171.0571 35 T 4.5578 8.2635 116.2363 61.3485 68.2332 175.0039 36 E 3.4947 6.1141 114.1796 57.0588 29.5183 178.3008 37 D 4.2978 8.4251 118.5814 56.0959 37.3294 173.8127 38 L 4.1451 7.8728 124.5224 56.1074 42.5021 177.7275 39 S 4.8464 7.8339 113.4147 57.5967 63.4564 173.9723 40 V 4.2790 7.8139 119.9664 60.3783 32.8733 173.8465 41 P 4.3564 0.0000 0.0000 63.5549 31.8369 176.4497 42 G 4.1117 8.7948 104.9510 46.0900 0.0000 173.5320 43 V 4.2174 7.2028 118.2101 60.7910 33.9901 175.3880 44 E 4.2643 8.6414 127.3177 55.2382 28.4225 175.3411 45 H 4.4489 8.3113 121.2192 56.2930 29.9133 174.3763 46 E 5.5162 8.8078 120.3008 54.9478 34.4369 174.5208 47 A 4.0930 8.9154 121.8336 50.5195 22.4168 175.7223 48 R 4.9266 8.4506 122.6209 54.6975 30.3798 175.5243 49 V 4.5410 8.2701 123.9814 58.6439 34.5223 173.7042 50 P 4.6552 0.0000 0.0000 63.1492 31.8198 177.5725 51 K 4.1766 9.1370 124.0345 59.3264 32.5460 179.1304 52 K 4.0633 8.1581 119.9296 59.6584 32.3175 178.4313 53 I 4.0227 7.8500 119.9853 63.6442 37.6239 177.0020 54 L 4.1490 7.9652 118.4289 55.9175 41.5952 177.3671 55 K 4.3995 8.0675 117.4491 56.2574 33.2203 176.4729 56 C 4.3504 7.6067 117.8985 59.4394 28.1859 173.9731 57 K 4.1532 8.6697 122.5370 58.0978 33.3069 176.0154 58 A 5.0552 7.7830 121.4049 50.1991 22.2320 174.8905 59 V 4.9315 9.3382 123.0065 61.1326 35.1109 174.4082 60 S 5.1337 8.8027 121.5699 56.4930 66.0753 172.7817 61 R 5.0735 8.4953 122.1240 54.5799 32.8862 173.5753 62 E 5.1862 9.1982 126.7363 54.4276 33.1002 174.4288 63 L 5.2457 9.1546 124.5543 52.9648 46.4163 175.0091 64 N 4.9170 8.3536 120.6545 51.5242 41.5520 173.0561 65 F 5.1015 8.3786 120.7330 55.0564 41.9764 173.8866 66 S 5.0750 8.7528 115.4678 56.9264 67.0745 173.5453 67 S 4.8726 8.6175 117.1542 57.2371 64.7609 174.7202 68 T 4.1349 8.8192 119.0531 63.8843 69.6636 174.5920 69 E 4.5430 7.9034 119.8324 54.9094 31.1046 176.1875 70 Q 4.2298 8.4088 123.5191 56.3074 30.1787 174.9657 71 M 4.7691 8.1185 123.4357 53.9155 35.9385 175.9839 72 E 4.4439 9.0174 120.5008 57.4732 31.5444 176.5687 73 K 4.8808 8.3489 117.2021 55.4439 32.2412 176.5819 74 F 5.1880 9.0241 124.1606 58.6500 41.1691 174.9064 75 R 5.1402 8.1166 120.6079 55.2744 33.3291 173.3600 76 L 4.8710 8.5180 119.0817 53.8503 44.4103 175.3134 77 E 4.6792 9.1233 119.8931 54.6474 32.9097 174.4857 78 Q 5.0747 8.9149 126.6487 54.1038 32.1231 174.2699 79 K 4.8104 9.1056 125.3336 54.4319 36.2870 175.1477 80 V 4.9003 8.5010 124.3603 61.4309 33.8533 174.0407 81 Y 5.1934 9.2550 125.2071 56.2405 42.0682 174.7833 82 F 4.8228 9.0574 124.0200 56.6706 41.3637 177.3796 83 K 3.4951 8.3467 129.8795 57.5025 31.1452 178.9847 84 G 3.9780 9.0209 118.3572 47.0850 0.0000 174.8327 85 Q 4.4972 7.7918 129.7217 56.3241 28.1716 177.5461 *87 L 4.3446 8.5224 112.5214 54.4180 43.8729 176.7853 88 E 4.5865 7.9147 115.6230 55.0564 34.6283 174.5938 89 E 4.6573 7.3118 119.0912 55.0242 32.3878 174.3242 90 W 5.1896 9.3004 124.6688 54.8376 33.1590 174.4508 91 F 5.2745 8.9566 120.0228 56.1893 42.9909 174.1756 92 F 4.2786 8.4446 120.8599 57.2995 43.2867 172.2998 93 E 4.3641 7.6277 127.8041 55.1155 29.5617 175.2813 94 F 4.5662 8.9420 126.7251 58.6936 40.3784 178.0788 95 G 4.0677 9.3093 107.7602 45.4809 0.0000 175.9848 96 F 4.8215 9.3546 123.0901 57.8698 40.5405 173.1336 97 V 4.3839 7.7973 125.3996 60.7628 34.2537 174.7262 98 I 4.2850 8.4151 129.1063 60.4028 37.7336 174.2467 99 P 4.2538 0.0000 0.0000 63.3479 32.1993 175.6674 100 N 4.1242 8.3838 118.1414 54.8058 36.9521 173.6862 101 S 4.9230 7.6439 110.4164 56.8873 66.8123 173.6691 102 T 4.8467 8.1580 116.3709 61.8925 71.1602 173.1903 103 N 5.0085 8.9071 123.3312 51.3499 42.9516 173.4476 104 T 4.9854 8.1443 109.6145 59.7749 72.1879 172.9289 105 W 5.2880 9.2512 132.6308 55.9898 34.5608 173.5475 106 Q 4.4974 7.5842 126.3372 54.2279 31.9415 173.6815 107 S 4.0860 7.7079 119.5943 56.2559 66.3356 173.0365 108 L 4.7626 8.0436 125.1186 53.5163 41.5591 174.4619 109 I 3.8805 8.7635 126.5610 61.0679 38.3213 174.7943 110 E 5.2009 8.9443 127.2359 54.0242 30.2097 174.9400 *118 M 4.2085 8.2908 122.7572 54.4447 34.9528 172.1207 119 P 3.7869 0.0000 0.0000 64.1221 31.4187 175.9873 120 A 4.4215 8.8830 135.0000 53.4334 23.0241 179.8587 121 S 4.3541 8.3622 110.2155 60.5875 63.7529 175.8828 122 V 3.9705 7.7669 119.7420 64.0049 32.0720 177.5147 123 L 4.5412 8.1313 120.3080 57.6365 42.1826 176.4749 124 T 3.7909 8.1042 112.1584 63.8148 67.4897 174.8613 125 G 3.1721 8.2786 116.7585 45.3531 0.0000 173.5471 126 N 4.7296 8.4037 115.9274 52.7291 40.4214 173.8251 127 V 4.7928 7.4523 120.2969 61.2363 33.8636 174.3253 128 I 5.0428 8.6183 128.1760 59.5685 40.9020 174.4784 129 I 4.7940 8.8839 127.6870 59.8045 39.2684 174.1795 130 E 5.0854 9.5666 129.8274 54.8191 31.7476 174.5398 131 T 4.9419 9.1446 124.6244 61.6913 71.3948 173.4982 132 K 4.9045 9.0552 125.9347 54.4715 35.6204 174.9916 133 F 4.8615 8.8811 123.6477 55.6156 41.3644 174.8165 134 F 5.2282 8.8637 121.4296 55.7301 43.5486 173.7924 135 D 5.0249 8.8499 120.9454 54.4381 42.4233 178.0041 136 D 4.5385 9.7432 130.3450 55.0804 40.7139 174.2532 137 D 4.9249 9.3987 111.0478 53.6961 42.7481 174.9054 138 L 4.3172 8.1433 123.3484 53.4065 42.4243 175.5532 139 L 3.7946 8.4356 128.6954 54.9993 41.8201 176.1493 140 V 3.8179 8.2878 128.1300 65.4635 32.2740 176.1216 141 S 4.6158 7.1104 111.1020 57.6816 65.5278 174.3919 142 T 5.1743 8.6069 121.1914 61.8446 71.9210 173.2466 143 S 4.8508 9.3935 119.8181 56.6416 66.0209 172.7410 144 R 5.2496 8.8232 124.6117 54.4698 33.5868 174.9101 145 V 4.6168 8.6630 122.7034 61.2305 34.8809 174.0039 146 R 4.6747 9.0978 129.5361 55.6325 31.5924 174.9451 147 L 4.6756 9.0060 127.3190 53.3896 44.0410 175.5921 148 F 4.8609 8.7684 121.0773 54.6390 42.5408 173.7757 149 Y 4.7807 8.5410 122.4061 57.8608 38.2840 176.0152 150 V 3.7060 8.9886 124.4135 63.2327 33.1842 171.2585 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 2 S 8.19 4.41 0.00 4.02 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 3 A 8.49 3.80 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 4 K 8.79 3.87 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 5 D 7.97 4.38 0.00 2.93 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 6 E 8.39 3.97 0.00 2.20 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 0.00 2.31 2.32 0.00 7 R 8.24 3.90 0.00 2.04 2.03 0.00 3.32 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 1.63 1.79 0.00 8 A 8.08 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.95 3.93 0.00 1.99 1.99 0.00 3.29 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.81 0.00 10 E 7.86 3.98 0.00 2.16 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 2.32 2.63 0.00 11 I 7.47 3.65 2.03 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 1.49 0.64 0.88 0.00 0.00 12 L 7.99 4.13 0.00 1.82 1.72 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.12 4.08 0.00 1.83 2.09 0.00 3.24 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 14 G 7.97 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 0.00 0.00 0.00 15 F 7.32 5.15 0.00 2.92 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 16 K 7.12 4.11 0.00 1.65 1.29 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.23 7.81 17 L 8.17 4.31 0.00 1.63 1.58 1.11 1.25 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 18 N 8.94 4.64 0.00 2.57 2.86 0.00 0.00 6.26 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 19 W 7.14 5.23 0.00 3.38 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 20 M 9.25 5.72 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.76 0.00 21 N 9.51 5.33 0.00 2.80 2.79 0.00 0.00 6.70 6.61 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 22 L 9.50 5.36 0.00 1.83 1.74 1.13 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.25 4.97 0.00 1.66 1.77 0.00 3.09 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 24 D 8.96 4.88 0.00 2.73 2.57 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 0.00 25 A 8.78 3.95 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 26 E 8.12 4.12 0.00 2.14 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 2.35 2.27 0.00 27 T 8.09 4.23 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 1.21 0.00 0.00 28 G 8.79 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 29 K 7.71 4.41 0.00 1.89 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.40 7.81 30 I 8.30 4.20 1.80 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 1.27 0.58 0.84 0.00 0.00 31 L 9.49 4.44 0.00 1.68 1.85 1.00 0.88 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 32 W 7.69 4.73 0.00 3.43 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 33 Q 7.78 3.84 0.00 1.64 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.49 0.00 0.00 0.00 0.00 0.00 1.78 2.16 0.00 34 G 7.44 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 35 T 8.26 4.56 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 1.19 0.00 0.00 36 E 6.11 3.49 0.00 2.10 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 2.36 2.51 0.00 37 D 8.43 4.30 0.00 2.80 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 38 L 7.87 4.15 0.00 1.66 1.75 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.83 4.85 0.00 4.00 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 40 V 7.81 4.28 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 0.94 0.00 0.00 0.97 0.00 0.00 41 P 0.00 4.36 0.00 2.25 2.25 0.00 3.86 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 2.09 1.98 0.00 42 G 8.79 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 43 V 7.20 4.22 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 0.80 0.00 0.00 0.98 0.00 0.00 44 E 8.64 4.26 0.00 2.01 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 2.29 2.32 0.00 45 H 8.31 4.45 0.00 3.46 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.81 5.52 0.00 1.78 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 0.00 2.38 2.63 0.00 47 A 8.92 4.09 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.45 4.93 0.00 1.69 1.90 0.00 3.24 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 49 V 8.27 4.54 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 0.76 0.00 0.00 1.10 0.00 0.00 50 P 0.00 4.66 0.00 2.17 2.11 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 51 K 9.14 4.18 0.00 1.96 2.19 0.00 1.53 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.51 7.81 52 K 8.16 4.06 0.00 2.01 2.14 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.54 7.81 53 I 7.85 4.02 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 1.07 0.00 0.00 54 L 7.97 4.15 0.00 1.56 1.52 0.45 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.07 4.40 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.50 7.81 56 C 7.61 4.35 0.00 3.11 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 57 K 8.67 4.15 0.00 1.94 2.06 0.00 1.45 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.44 7.81 58 A 7.78 5.06 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 59 V 9.34 4.93 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 0.99 0.00 0.00 0.98 0.00 0.00 60 S 8.80 5.13 0.00 3.79 3.83 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 0.00 0.00 0.00 0.00 61 R 8.50 5.07 0.00 1.85 1.61 0.00 3.37 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 1.62 1.82 0.00 62 E 9.20 5.19 0.00 2.11 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 0.00 2.36 2.42 0.00 63 L 9.15 5.25 0.00 1.98 1.78 1.38 0.59 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 64 N 8.35 4.92 0.00 1.44 1.42 0.00 0.00 6.64 7.23 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 65 F 8.38 5.10 0.00 2.49 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 66 S 8.75 5.08 0.00 3.47 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 67 S 8.62 4.87 0.00 3.82 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.82 4.13 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 1.16 0.00 0.00 69 E 7.90 4.54 0.00 1.81 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 2.24 2.28 0.00 70 Q 8.41 4.23 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 71 M 8.12 4.77 0.00 2.05 1.62 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 72 E 9.02 4.44 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 73 K 8.35 4.88 0.00 1.82 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 74 F 9.02 5.19 0.00 3.11 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 75 R 8.12 5.14 0.00 1.86 2.01 0.00 2.63 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 76 L 8.52 4.87 0.00 0.76 1.24 0.34 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.12 4.68 0.00 1.88 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 2.30 2.21 0.00 78 Q 8.91 5.07 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 79 K 9.11 4.81 0.00 1.57 0.91 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.03 1.10 7.81 80 V 8.50 4.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.08 0.00 0.00 81 Y 9.26 5.19 0.00 2.89 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 82 F 9.06 4.82 0.00 3.18 3.01 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 83 K 8.35 3.50 0.00 1.64 0.90 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.98 0.29 7.81 84 G 9.02 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.79 4.50 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.33 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 *87 L 8.52 4.34 0.00 1.72 1.77 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.91 4.59 0.00 1.80 1.39 0.00 0.00 0.00 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 2.28 0.00 89 E 7.31 4.66 0.00 1.53 1.57 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 1.96 2.26 0.00 90 W 9.30 5.19 0.00 3.30 3.32 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 91 F 8.96 5.27 0.00 2.80 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 92 F 8.44 4.28 0.00 2.85 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 0.00 0.00 0.00 93 E 7.63 4.36 0.00 1.74 1.48 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 2.12 2.30 0.00 94 F 8.94 4.57 0.00 3.46 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.31 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 0.00 0.00 0.00 96 F 9.35 4.82 0.00 3.12 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 97 V 7.80 4.38 1.75 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 0.76 0.00 0.00 0.83 0.00 0.00 98 I 8.42 4.29 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.91 0.97 0.00 0.00 99 P 0.00 4.25 0.00 2.06 2.03 0.00 4.01 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 100 N 8.38 4.12 0.00 2.89 2.85 0.00 0.00 6.54 7.19 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 0.00 101 S 7.64 4.92 0.00 3.81 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 0.00 102 T 8.16 4.85 4.12 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 1.04 0.00 0.00 103 N 8.91 5.01 0.00 1.44 2.18 0.00 0.00 6.09 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 0.00 104 T 8.14 4.99 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 1.08 0.00 0.00 105 W 9.25 5.29 0.00 3.82 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.58 4.50 0.00 1.84 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.48 0.00 0.00 0.00 0.00 0.00 1.91 2.25 0.00 107 S 7.71 4.09 0.00 3.10 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 0.00 108 L 8.04 4.76 0.00 1.51 1.54 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.76 3.88 2.01 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 1.24 -0.33 1.33 0.00 0.00 110 E 8.94 5.20 0.00 1.92 1.96 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 2.25 2.14 0.00 *118 M 8.29 4.21 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 119 P 0.00 3.79 0.00 2.04 1.53 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 120 A 8.88 4.42 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 0.00 121 S 8.36 4.35 0.00 4.04 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 0.00 122 V 7.77 3.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.16 0.00 0.00 123 L 8.13 4.54 0.00 1.95 2.13 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.10 3.79 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 1.37 0.00 0.00 125 G 8.28 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.40 4.73 0.00 2.81 2.32 0.00 0.00 6.33 8.32 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 0.00 127 V 7.45 4.79 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.23 0.00 0.00 128 I 8.62 5.04 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 1.18 0.92 0.98 0.00 0.00 129 I 8.88 4.79 2.00 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 1.24 0.78 1.07 0.00 0.00 130 E 9.57 5.09 0.00 2.13 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 2.28 2.32 0.00 131 T 9.14 4.94 4.36 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 0.76 0.00 0.00 132 K 9.06 4.90 0.00 1.68 1.40 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.26 1.38 7.81 133 F 8.88 4.86 0.00 2.44 2.33 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 0.00 134 F 8.86 5.23 0.00 2.80 2.98 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 0.00 0.00 0.00 135 D 8.85 5.02 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.74 4.54 0.00 2.87 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 9.40 4.92 0.00 2.69 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 0.00 138 L 8.14 4.32 0.00 1.78 1.76 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.44 3.79 0.00 1.50 1.49 0.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.29 3.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.99 0.00 0.00 141 S 7.11 4.62 0.00 3.80 3.27 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 0.00 142 T 8.61 5.17 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 1.23 0.00 0.00 143 S 9.39 4.85 0.00 4.00 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 0.00 144 R 8.82 5.25 0.00 1.76 1.83 0.00 3.22 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 145 V 8.66 4.62 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 1.04 0.00 0.00 1.14 0.00 0.00 146 R 9.10 4.67 0.00 1.95 1.91 0.00 3.31 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.43 0.00 147 L 9.01 4.68 0.00 1.16 0.84 0.89 0.49 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 0.00 148 F 8.77 4.86 0.00 2.87 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 0.00 149 Y 8.54 4.78 0.00 2.92 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 0.00 150 V 8.99 3.71 2.17 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 0.71 0.00 0.00 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.