NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2640 8.3101 122.1383 54.4887 34.3447 177.3392 4 A 4.2094 7.9751 120.8660 54.3743 19.0549 178.5159 5 L 3.8863 7.9754 121.6617 60.3475 41.3387 179.9097 6 Q 4.4903 8.1286 122.9415 59.2167 27.8330 181.2369 7 K 4.2152 7.7971 123.7014 60.8151 32.1590 184.2686 8 E 4.2330 7.6938 120.8442 58.4533 29.4466 178.9302 9 L 3.9767 8.4149 119.8283 57.8464 41.4484 178.8271 10 E 3.9587 7.9861 120.9959 60.0227 29.0909 179.6531 11 Q 4.1065 7.9254 120.9004 60.1851 28.2708 181.0309 12 F 4.4469 8.3238 122.9076 60.9027 39.5046 176.9846 13 A 4.0659 8.3762 120.6727 55.3286 18.2865 179.8093 14 K 3.9363 7.7208 115.5416 59.4588 31.7024 179.3764 15 L 3.9709 7.4965 120.3536 57.5790 41.8975 178.5897 16 L 3.9278 7.5817 120.4180 57.2350 41.9598 178.6734 17 K 4.0975 7.7947 120.8272 58.9628 32.2011 178.4119 18 Q 3.9465 7.8667 119.5401 59.1217 28.9881 178.1203 19 K 3.9435 7.6441 121.3047 58.9952 32.2749 178.2240 20 R 4.2884 8.4871 119.2359 60.0208 29.8991 178.4548 21 I 3.8413 8.2326 119.4474 64.5293 37.2066 178.0507 22 T 3.9491 8.5362 116.9605 67.1107 68.1778 175.5478 23 L 4.5522 8.0356 117.0595 54.3390 41.7213 177.3314 24 G 3.8756 7.9054 106.6868 46.6716 0.0000 173.6799 25 Y 4.4571 8.0018 116.7038 57.0292 39.2548 176.1689 26 T 4.5547 8.1072 112.4084 60.4510 72.1017 176.0939 27 Q 3.8758 8.5253 120.5016 59.0724 28.6439 179.0114 28 A 3.9318 8.0208 121.0298 55.4228 18.4337 178.7874 29 D 4.5903 7.8278 116.7206 57.8795 40.9594 179.5545 30 V 3.2160 7.1665 119.4777 65.2704 31.3531 178.1785 31 G 4.2802 7.7924 106.4635 47.3169 0.0000 175.2639 32 L 4.0313 8.6898 123.7416 57.9318 41.6117 179.0377 33 T 4.0193 8.6806 110.2741 64.3652 68.8619 176.5758 34 L 4.3806 8.5071 122.7255 57.8339 41.6248 179.8054 35 G 3.5799 7.8400 105.3943 47.7125 0.0000 175.8368 36 V 3.5485 7.6165 119.3098 65.7576 31.6365 177.6707 37 L 3.7844 7.8042 117.4259 56.7739 40.4811 177.9327 38 F 4.8894 7.8899 114.2123 56.3389 40.4844 176.5550 39 G 3.7713 9.0186 111.4471 46.3036 0.0000 175.0331 40 K 4.5785 7.4923 123.1818 52.7385 33.2386 180.7608 41 V 4.2113 7.7649 122.9493 61.1938 32.8450 175.9499 42 F 4.9394 8.8927 119.8000 55.7667 43.4088 175.0299 43 S 4.6431 8.9006 117.4727 57.6337 64.1657 175.0938 44 Q 3.9864 8.6812 119.8760 59.6602 28.1004 178.5122 45 T 3.8568 8.0450 117.2328 67.0008 68.4916 175.8351 46 T 3.9158 7.7100 116.7490 67.1364 68.5853 176.5652 47 I 3.6424 7.5430 121.2447 64.4986 37.1816 178.5364 48 S 4.1431 8.6224 114.4488 61.3271 62.2208 176.4581 49 R 3.9550 8.2858 121.0556 59.0517 29.7567 178.2844 50 F 3.8532 8.3783 120.4779 61.7633 39.0259 177.1495 51 E 4.1265 8.6982 117.4375 58.3773 29.0874 178.1485 52 A 4.5130 7.5591 118.2628 50.6239 19.8099 176.4879 53 L 3.4838 7.5886 115.9368 55.8259 39.6390 175.6423 54 Q 4.2357 8.0038 117.4341 56.8023 29.2553 176.7200 55 L 4.3157 7.4769 117.8139 53.7126 42.7297 177.3432 56 S 4.3274 8.2583 115.7118 58.1208 64.9693 175.2848 57 L 3.8816 8.3742 123.2652 57.9425 41.4287 179.6915 58 K 3.8564 7.9850 118.9041 59.6004 32.1687 178.0799 59 N 4.3059 7.8024 115.9391 56.8630 38.8463 176.6223 60 M 4.0331 8.1920 120.1869 58.6811 31.8502 178.9875 61 S 4.1367 8.0175 113.9107 61.5750 63.0702 176.7345 62 K 4.1028 8.6205 120.4580 58.7304 32.0995 178.5310 63 L 4.2682 7.6670 117.7220 55.4447 42.0354 178.7957 64 R 3.8014 7.9855 119.4934 59.0677 30.1423 176.5644 65 P 4.0830 0.0000 0.0000 65.4672 31.2045 178.6598 66 L 3.4907 7.5324 117.3495 57.6190 41.6015 179.2659 67 L 4.1202 7.5858 118.4818 57.4213 41.6272 178.9581 68 E 4.2095 8.8679 119.8353 59.5488 29.3540 179.0997 69 K 4.2166 7.7388 116.7740 59.1277 32.4501 178.9521 70 W 4.3131 8.4904 128.6684 60.7098 30.7032 177.6415 71 V 3.2359 8.4572 118.5497 66.4807 30.6862 177.7267 72 E 3.9796 8.0196 116.0006 58.9143 29.1434 178.4988 73 E 4.0235 7.8403 119.7279 59.1123 29.5343 178.6890 74 A 3.6066 7.4211 120.5664 54.4958 18.0210 178.6396 75 D 4.6873 7.5612 114.1230 55.7427 40.7551 175.9616 76 N 4.8647 7.9083 116.3605 53.6688 43.8548 175.2376 77 N 4.7636 7.9007 118.5205 52.7551 36.9200 176.9759 78 E 3.9936 7.8173 119.8412 61.9445 29.0644 180.0373 79 N 4.6135 8.0579 116.2277 56.0932 37.6629 176.6080 80 L 3.9012 7.5311 119.9936 56.6349 42.3196 178.5720 81 Q 4.5301 7.5060 119.4247 58.5742 28.7727 177.2858 82 E 4.5319 7.8652 117.7843 57.8350 29.3204 178.0215 83 I 4.6997 7.6624 114.5154 58.9917 38.2418 180.5150 84 S 4.5178 7.8048 116.0659 60.9168 63.9333 176.9816 85 K 4.1250 8.0972 123.6499 57.2849 32.5846 181.7070 86 S 4.4361 7.7521 119.5498 56.8756 60.8392 176.0079 *91 Q 4.1650 7.6575 120.2272 54.5851 29.8670 176.2432 92 A 4.6751 8.3897 124.7879 49.8222 21.5112 176.4771 93 R 4.4367 8.3467 126.2054 55.1648 29.3031 176.8423 94 K 3.7440 7.8195 123.1375 56.9525 32.6109 176.8829 95 R 3.6815 7.9171 124.5432 56.6721 27.0334 176.4047 96 K 4.2541 7.7616 122.0581 53.7923 32.8739 177.1541 97 R 4.5435 8.0673 118.1383 55.4250 32.3093 174.9747 98 T 4.0546 8.6222 123.2103 63.4228 69.0649 173.9415 99 S 4.6795 8.5939 121.4375 56.7085 64.5676 173.3172 100 I 4.4548 8.0338 117.9169 58.5682 39.6219 175.8017 101 E 3.9946 8.7194 122.7676 56.7283 30.8143 177.6709 102 N 4.2537 9.0464 124.0462 57.8465 39.0547 177.7968 103 R 4.0433 7.9597 121.2289 61.5506 29.6566 180.6823 104 V 3.8903 7.7810 121.3056 66.3099 31.5101 178.8558 105 R 3.9054 8.5851 120.7495 60.5238 29.0896 180.9158 106 W 4.6161 7.8933 127.0643 60.2818 30.8731 178.2625 107 S 3.9358 8.0903 115.2027 61.7781 62.3781 176.5776 108 L 3.5166 7.3969 121.1456 57.6703 40.8486 179.6017 109 E 4.1099 7.2738 117.5120 59.7962 29.5043 179.0919 110 T 3.6890 7.1492 114.4162 66.8593 68.6298 176.2156 111 M 4.2471 8.0098 120.4345 57.4702 32.1683 176.8927 112 F 4.9513 8.1111 122.3655 58.9142 40.2975 176.8981 113 L 3.7080 7.0640 124.1259 54.9776 39.6705 175.6855 114 K 4.5207 8.1593 116.2329 55.4002 33.7038 182.3286 115 S 4.6137 7.5475 111.7807 56.7735 63.6027 172.7422 116 P 4.0151 0.0000 0.0000 65.3719 31.7226 177.4969 117 K 4.5170 7.4771 118.5031 53.1620 31.6864 172.8094 118 P 4.2744 0.0000 0.0000 62.4135 32.4758 175.6024 119 S 4.7322 8.2530 115.5280 56.5399 65.3629 175.6383 120 L 4.0570 8.4699 122.9838 58.9022 40.8695 180.4466 121 Q 4.1264 7.9640 119.0155 59.3713 28.3979 181.3645 122 Q 4.3505 7.9579 117.6871 59.2833 29.0983 177.9031 123 I 3.6706 7.7352 120.2730 64.9796 36.9890 178.0394 124 T 3.8799 7.9035 115.5261 66.0762 67.1271 176.6608 *125 H 4.1818 8.0525 120.3358 59.7929 28.2382 179.0940 126 I 3.8551 7.8032 122.7842 64.1032 36.8902 178.1964 127 A 3.9751 8.2131 121.8098 55.4193 18.3854 179.5116 128 N 4.4786 8.0549 114.6710 55.5948 37.2614 177.2294 129 Q 4.0056 8.1584 121.8878 58.5318 29.2482 177.1913 130 L 4.5796 7.5802 116.3707 53.5561 42.0804 176.5456 131 G 3.8742 7.6138 105.8996 46.7330 0.0000 173.8897 132 L 4.8000 7.9373 118.3697 52.1035 44.4117 177.2612 133 E 4.2994 8.4747 122.3161 56.7753 31.4546 179.2477 134 K 4.1644 8.5014 126.3748 60.1019 32.0529 180.1630 135 D 4.6387 8.0988 119.1708 56.7774 40.7218 178.6362 136 V 3.6290 7.7760 119.1910 65.7693 31.7871 177.5836 137 V 3.7300 7.6181 116.4801 66.2688 30.9449 178.0989 138 R 4.0012 8.3665 118.1749 59.6965 30.0656 178.6265 139 V 3.6601 7.8787 117.8715 65.6887 31.4379 177.5931 140 W 4.0235 8.8037 128.5183 60.6907 30.4128 178.0309 141 F 4.0606 8.6381 117.5381 60.4062 38.3567 177.7584 142 S 4.1137 7.8724 112.4535 61.4398 62.1888 175.9134 143 N 4.1723 8.0411 119.1789 56.2479 38.3141 177.2468 144 R 3.1632 7.2429 119.9808 59.2346 29.8223 178.7715 145 R 4.1052 7.9996 117.9669 59.4634 30.0060 179.1218 146 Q 4.0874 8.2108 120.2980 59.2973 28.4058 179.4787 147 K 4.0711 8.1468 124.8247 59.9685 32.0340 181.7951 148 G 3.9298 7.9162 106.1301 47.7390 0.0000 175.3586 149 K 4.1393 8.3679 126.4516 58.7321 32.3588 179.5850 150 R 4.1487 7.4594 122.5475 61.5152 29.4183 182.6266 151 S 4.4257 7.7008 118.0802 58.3874 63.6112 176.5612 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 3 K 8.31 4.26 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 4 A 7.98 4.21 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 5 L 7.98 3.89 0.00 1.67 1.68 0.92 0.85 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 6 Q 8.13 4.49 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 7 K 7.80 4.22 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 8 E 7.69 4.23 0.00 2.12 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 2.22 0.00 9 L 8.41 3.98 0.00 1.72 1.62 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.99 3.96 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 11 Q 7.93 4.11 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 12 F 8.32 4.45 0.00 3.19 3.31 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 13 A 8.38 4.07 1.36 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 0.00 0.00 14 K 7.72 3.94 0.00 2.10 1.86 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.32 7.81 15 L 7.50 3.97 0.00 1.86 1.62 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.58 3.93 0.00 1.08 1.35 0.91 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.79 4.10 0.00 1.89 1.77 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.31 7.81 18 Q 7.87 3.95 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 19 K 7.64 3.94 0.00 2.22 1.98 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.34 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.39 7.81 20 R 8.49 4.29 0.00 2.11 2.17 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 21 I 8.23 3.84 1.91 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 1.55 0.72 0.94 0.00 0.00 22 T 8.54 3.95 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 1.23 0.00 0.00 23 L 8.04 4.55 0.00 2.03 1.97 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.00 4.46 0.00 3.32 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 26 T 8.11 4.55 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 1.24 0.00 0.00 27 Q 8.53 3.88 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 28 A 8.02 3.93 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 29 D 7.83 4.59 0.00 3.18 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 30 V 7.17 3.22 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.12 0.00 0.00 31 G 7.79 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 0.00 0.00 0.00 0.00 32 L 8.69 4.03 0.00 1.85 1.85 0.94 -0.10 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 33 T 8.68 4.02 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 1.39 0.00 0.00 34 L 8.51 4.38 0.00 2.08 2.10 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.84 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 36 V 7.62 3.55 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 0.86 0.00 0.00 0.94 0.00 0.00 37 L 7.80 3.78 0.00 0.27 0.13 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.89 4.89 0.00 3.25 3.04 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 0.00 0.00 0.00 39 G 9.02 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 40 K 7.49 4.58 0.00 1.66 1.58 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.22 7.81 41 V 7.76 4.21 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 0.74 0.00 0.00 1.01 0.00 0.00 42 F 8.89 4.94 0.00 3.00 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 43 S 8.90 4.64 0.00 4.03 4.03 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 44 Q 8.68 3.99 0.00 2.34 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 45 T 8.05 3.86 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 1.23 0.00 0.00 46 T 7.71 3.92 4.51 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 1.11 0.00 0.00 47 I 7.54 3.64 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.77 0.00 0.00 48 S 8.62 4.14 0.00 4.05 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 49 R 8.29 3.95 0.00 2.08 1.97 0.00 3.22 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 1.66 1.76 0.00 50 F 8.38 3.85 0.00 3.12 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 51 E 8.70 4.13 0.00 2.11 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 2.38 2.50 0.00 52 A 7.56 4.51 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 0.00 0.00 0.00 0.00 0.00 53 L 7.59 3.48 0.00 1.73 1.70 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.00 4.24 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 55 L 7.48 4.32 0.00 1.56 1.57 0.99 0.90 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 56 S 8.26 4.33 0.00 4.03 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 57 L 8.37 3.88 0.00 1.72 1.73 0.89 0.86 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 58 K 7.98 3.86 0.00 1.90 1.80 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.07 7.81 59 N 7.80 4.31 0.00 2.92 2.90 0.00 0.00 7.27 7.53 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 60 M 8.19 4.03 0.00 1.78 2.13 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.81 0.00 61 S 8.02 4.14 0.00 3.98 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 62 K 8.62 4.10 0.00 2.15 1.88 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 63 L 7.67 4.27 0.00 2.09 1.59 0.86 0.16 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 64 R 7.99 3.80 0.00 2.07 1.79 0.00 2.94 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.01 0.00 65 P 0.00 4.08 0.00 2.06 1.98 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 66 L 7.53 3.49 0.00 1.64 1.54 0.99 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.59 4.12 0.00 1.66 1.72 -0.49 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.87 4.21 0.00 2.06 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 2.44 0.00 69 K 7.74 4.22 0.00 2.21 2.20 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.48 1.32 7.81 70 W 8.49 4.31 0.00 3.57 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.46 3.24 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 1.01 0.00 0.00 1.26 0.00 0.00 72 E 8.02 3.98 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 73 E 7.84 4.02 0.00 1.93 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 2.59 2.43 0.00 74 A 7.42 3.61 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.56 4.69 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.91 4.86 0.00 2.56 2.68 0.00 0.00 6.83 9.06 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 77 N 7.90 4.76 0.00 2.75 2.96 0.00 0.00 7.27 7.54 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 78 E 7.82 3.99 0.00 2.00 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 1.97 0.00 79 N 8.06 4.61 0.00 2.81 2.89 0.00 0.00 6.81 6.74 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 80 L 7.53 3.90 0.00 1.60 1.64 0.92 0.77 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 81 Q 7.51 4.53 0.00 2.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 82 E 7.87 4.53 0.00 2.08 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 2.27 2.57 0.00 83 I 7.66 4.70 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 1.35 0.75 0.91 0.00 0.00 84 S 7.80 4.52 0.00 4.16 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 85 K 8.10 4.12 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 0.99 7.81 86 S 7.75 4.44 0.00 3.62 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 *91 Q 7.66 4.17 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 92 A 8.39 4.68 1.18 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 0.00 0.00 93 R 8.35 4.44 0.00 1.85 1.85 0.00 3.21 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 94 K 7.82 3.74 0.00 1.82 1.70 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 0.99 7.81 95 R 7.92 3.68 0.00 1.83 1.97 0.00 3.20 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 96 K 7.76 4.25 0.00 1.82 1.58 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 0.99 7.81 97 R 8.07 4.54 0.00 1.70 1.79 0.00 3.22 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 98 T 8.62 4.05 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 99 S 8.59 4.68 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.03 4.45 1.84 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 1.45 0.96 0.90 0.00 0.00 101 E 8.72 3.99 0.00 2.03 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 2.41 2.38 0.00 102 N 9.05 4.25 0.00 2.76 2.85 0.00 0.00 7.33 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 0.00 103 R 7.96 4.04 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 104 V 7.78 3.89 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 0.86 0.00 0.00 0.92 0.00 0.00 105 R 8.59 3.91 0.00 1.81 1.93 0.00 3.31 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 106 W 7.89 4.62 0.00 3.41 3.31 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 0.00 107 S 8.09 3.94 0.00 3.90 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 0.00 108 L 7.40 3.52 0.00 0.78 0.13 0.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.27 4.11 0.00 1.86 1.52 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 2.56 2.68 0.00 110 T 7.15 3.69 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 1.09 0.00 0.00 111 M 8.01 4.25 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 112 F 8.11 4.95 0.00 3.41 3.25 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 0.00 113 L 7.06 3.71 0.00 1.88 1.69 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.16 4.52 0.00 1.70 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.21 7.81 115 S 7.55 4.61 0.00 3.86 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 0.00 116 P 0.00 4.02 0.00 2.13 1.79 0.00 3.59 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 117 K 7.48 4.52 0.00 1.71 1.71 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.45 7.81 118 P 0.00 4.27 0.00 1.60 1.66 0.00 3.37 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.79 0.00 119 S 8.25 4.73 0.00 4.03 3.73 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 0.00 120 L 8.47 4.06 0.00 1.71 1.72 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.96 4.13 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 122 Q 7.96 4.35 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 123 I 7.74 3.67 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.42 0.95 0.00 0.00 124 T 7.90 3.88 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 1.24 0.00 0.00 *125 H 8.05 4.18 0.00 2.96 3.05 0.00 7.25 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.80 3.86 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.95 0.00 0.00 127 A 8.21 3.98 1.42 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 0.00 0.00 128 N 8.05 4.48 0.00 2.98 3.09 0.00 0.00 6.74 8.73 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 0.00 129 Q 8.16 4.01 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 130 L 7.58 4.58 0.00 1.63 1.61 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.61 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 0.00 0.00 0.00 132 L 7.94 4.80 0.00 1.56 1.56 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.47 4.30 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 134 K 8.50 4.16 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 135 D 8.10 4.64 0.00 2.78 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 0.00 136 V 7.78 3.63 2.31 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 0.97 0.00 0.00 0.96 0.00 0.00 137 V 7.62 3.73 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 1.20 0.00 0.00 0.95 0.00 0.00 138 R 8.37 4.00 0.00 2.16 1.99 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 139 V 7.88 3.66 2.25 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 0.96 0.00 0.00 1.05 0.00 0.00 140 W 8.80 4.02 0.00 3.47 3.35 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 0.00 141 F 8.64 4.06 0.00 3.56 3.24 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 0.00 142 S 7.87 4.11 0.00 3.96 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 0.00 143 N 8.04 4.17 0.00 2.46 2.60 0.00 0.00 6.70 7.02 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 0.00 144 R 7.24 3.16 0.00 0.67 0.88 0.00 2.39 0.00 0.00 2.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 145 R 8.00 4.11 0.00 2.12 2.04 0.00 3.28 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 146 Q 8.21 4.09 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 147 K 8.15 4.07 0.00 1.83 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 148 G 7.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.37 4.14 0.00 2.06 1.87 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.34 7.81 150 R 7.46 4.15 0.00 1.93 1.83 0.00 3.36 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 151 S 7.70 4.43 0.00 3.64 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 * Residues marked with a * may have inaccurate shift predictions.