NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2991 8.1329 112.9094 60.9757 71.2582 176.4096 3 D 4.2612 8.1253 124.6389 58.1059 39.5864 178.9041 4 T 3.9846 8.5575 118.3980 66.4729 68.7231 175.9640 5 N 3.6522 7.8264 116.3408 56.1719 38.6614 177.0069 6 L 4.1473 7.8415 119.2215 57.7896 42.0261 179.4700 7 V 3.7917 7.7717 118.2168 65.6908 31.6643 177.8887 8 E 4.4083 8.4089 119.3309 56.5310 29.4250 179.2874 *10 R 4.1452 8.0168 118.9382 56.2920 32.3869 178.3103 11 A 3.9886 7.8694 119.4896 55.2193 18.7080 178.9301 12 I 3.3564 7.5880 116.2349 64.4356 37.2725 177.5382 13 E 3.4372 7.8205 117.9297 59.2322 29.7507 177.4026 14 R 4.0618 7.6157 121.1751 56.6082 28.4934 176.1398 *17 F 5.2290 7.9784 119.9801 57.4234 41.6111 177.4279 18 D 4.4993 8.8856 120.7155 57.4478 40.5401 178.1061 19 Y 4.1993 8.2470 119.5237 61.1529 38.8540 178.4348 20 S 4.2070 8.4591 115.4828 61.5106 62.7563 175.8819 21 Y 4.0500 8.2143 121.7863 61.2516 38.8718 177.7933 22 H 4.1299 8.5527 117.1651 58.2623 28.4602 177.7980 23 L 3.8067 7.5033 121.7942 57.8909 42.1908 180.6148 24 D 4.7670 7.6383 119.8871 53.0250 41.7771 176.3089 *26 N 4.4884 8.0388 113.1234 54.4722 40.3675 175.3621 27 H 5.0067 8.1917 118.0837 53.1988 29.1446 173.6948 28 P 4.3122 0.0000 0.0000 65.8071 31.5123 178.5754 29 E 4.0298 8.1722 117.9308 59.1647 29.2016 178.8993 30 E 4.0329 8.0952 117.6726 59.1248 29.8785 178.8266 31 L 4.3571 7.9946 118.7081 58.0254 41.8993 179.5549 32 A 4.4604 8.5415 120.2646 54.9171 18.0839 179.1181 33 A 4.2866 7.8944 117.6789 54.0335 18.7178 177.9865 34 L 4.5737 8.1304 116.9617 54.2643 42.0798 175.8056 35 F 5.1576 7.9914 117.1070 55.4108 41.6945 175.6526 36 V 3.9327 8.1399 117.9997 61.2065 32.0905 176.2246 37 E 4.0779 9.0154 123.1971 58.7380 30.4862 177.5910 38 D 5.0791 7.7654 118.0853 54.1489 40.6256 175.5703 39 C 4.9524 7.9804 113.0279 57.4749 32.8762 172.7073 40 E 5.1880 9.0489 117.8447 54.6765 33.6221 175.0608 41 V 4.7055 8.9236 123.1999 61.0271 35.1607 173.9687 42 S 4.6067 8.8631 122.3112 56.9278 64.3362 173.6614 43 Y 4.5987 8.3968 124.5815 58.4425 39.5929 175.3249 44 A 4.7954 7.2617 119.8345 51.4115 21.8840 175.1851 45 P 4.3247 0.0000 0.0000 65.5947 31.4272 177.8574 46 N 5.1582 8.0024 114.2538 51.0907 39.2241 179.2021 47 F 5.2387 8.2769 122.6695 58.5768 42.9362 171.8778 48 G 4.1234 8.5052 117.2747 46.3977 0.0000 172.0881 49 A 4.7869 8.5989 124.3430 51.0714 23.3326 175.7235 50 T 4.5959 8.8024 118.8669 63.2984 70.4911 175.5344 51 G 4.1414 9.4273 111.7938 45.8074 0.0000 173.8748 52 R 4.0127 8.5431 119.5540 59.3350 29.8873 178.8723 53 D 4.3490 8.1455 118.1993 57.2640 40.7012 178.3369 54 A 4.0361 7.9608 119.8459 55.2465 18.6681 178.5598 55 Y 4.1179 7.9738 118.0797 60.8004 38.8388 178.2788 56 K 3.6087 8.3036 119.6174 59.4916 32.0992 179.4215 57 K 4.0741 7.7925 118.5312 59.1302 31.7400 178.8555 58 T 4.2549 7.6873 108.4313 63.1591 69.1231 175.0569 59 L 4.2810 7.6468 123.9639 55.6576 42.5032 177.0509 60 E 3.9277 7.5674 115.8766 57.3196 30.0815 183.0010 61 G 4.5050 9.0922 112.1886 44.9795 0.0000 174.9822 62 I 3.9013 7.6238 121.4341 64.5654 37.2497 178.2741 63 G 3.7651 8.0504 107.0592 47.1176 0.0000 174.1470 64 T 4.3137 7.6300 109.4086 62.8082 70.4731 176.3514 *65 F 4.2290 8.2241 119.5486 57.0969 39.1150 175.2924 66 F 5.4808 7.1345 117.9887 55.6492 41.7511 175.3681 67 R 4.2307 9.0519 123.8163 58.3553 30.7118 176.8152 68 G 4.1750 7.5317 103.6244 45.9118 0.0000 172.5232 69 T 5.0591 7.7679 109.9951 59.7576 73.0238 172.5686 70 S 4.7284 8.7169 116.7393 57.0757 65.6993 172.1087 71 H 5.2706 9.3099 124.5113 54.2878 31.1296 173.4115 72 H 4.7943 9.3237 120.2954 54.1893 31.5392 172.3175 73 N 5.6942 8.8891 121.3284 51.5591 40.8700 174.2971 74 S 4.6082 8.8894 117.3367 56.9819 67.6343 173.0925 75 N 4.2730 8.6575 113.2592 54.4409 35.5953 174.3591 76 I 4.2636 7.8434 118.4449 61.1001 38.2867 175.8816 77 C 4.7739 9.1667 125.6280 57.8655 30.9217 173.0739 78 I 4.6060 8.2845 124.2743 59.3401 39.6684 174.6131 79 D 4.8240 8.7858 127.0754 52.2643 43.5671 175.5930 80 F 4.6269 8.7647 123.2982 57.2026 39.8317 175.8321 81 V 3.8180 8.9565 127.1852 65.3288 31.4882 175.5274 82 S 4.7205 7.6734 111.7018 56.8329 65.7108 173.5504 83 E 4.1879 8.8458 117.0231 58.5661 29.6181 177.0148 84 T 4.4031 8.0635 109.4121 60.8751 70.7346 172.8656 85 E 5.4045 8.6293 122.7367 55.8248 33.3493 173.7642 86 A 5.0586 9.4406 127.9258 50.3730 23.4092 173.9960 87 N 5.2718 8.9303 117.5907 51.5352 41.2226 174.3629 88 V 4.7638 8.9201 123.0015 60.9421 35.3353 173.9530 89 R 4.7268 8.6772 127.5248 54.4697 32.8757 174.4173 90 S 5.1714 8.5691 118.9802 57.4905 67.3424 172.6139 91 V 4.9589 8.7904 120.5212 61.1270 33.9329 174.6840 92 V 5.0274 8.8597 126.0162 59.8140 34.9328 173.9214 93 L 4.9888 8.9159 125.4238 53.2337 44.5094 174.7494 94 A 4.8399 8.7101 127.9441 50.1920 22.0910 174.3327 95 I 4.6919 8.4525 123.9576 59.8951 40.0717 174.6030 96 H 4.7876 9.0872 123.6946 53.7908 31.8776 172.5655 97 R 4.8671 8.5610 124.7520 54.0820 31.3736 175.1711 98 Y 5.0129 8.5261 124.5116 58.0134 38.9936 176.8403 99 T 4.0547 8.8557 112.4164 64.5383 70.1274 175.5470 100 K 4.0230 7.9918 119.9718 55.5439 32.7666 176.7373 101 E 4.1900 8.5363 122.9105 56.3800 28.4703 175.8881 102 R 4.5930 7.9248 120.1948 54.1550 31.9316 173.3231 103 P 4.4915 0.0000 0.0000 62.5241 31.7740 176.1330 104 D 4.7488 8.8053 120.0994 55.2282 42.1611 175.5925 105 G 4.7919 9.1614 109.7730 44.1377 0.0000 172.3390 106 I 4.8195 9.1005 126.4490 59.2545 40.0832 174.2132 107 L 4.3740 8.4119 129.2717 53.2166 44.4882 174.3822 108 Y 4.9525 8.4475 123.8659 56.4535 40.1935 174.9658 109 G 4.4047 9.2330 111.1940 44.8998 0.0000 170.4149 110 Q 5.1851 9.1975 118.0500 54.1847 32.6986 174.5009 111 Y 5.1755 8.8581 121.0185 56.3879 40.7197 174.7386 112 F 4.9611 9.6728 123.4612 56.0739 41.1652 174.2195 113 D 5.5174 9.2190 124.0784 52.6211 44.8687 175.3726 114 T 5.0227 8.8639 117.7858 61.9709 71.4697 173.5897 115 V 4.9374 8.7944 119.7211 59.6891 34.9288 175.2808 116 V 5.0296 8.9098 116.3448 59.5617 36.0399 174.3369 117 K 4.0778 8.0722 125.4105 54.6039 33.2294 176.1613 118 V 4.1577 8.2348 120.8895 60.6064 34.6134 175.3279 119 D 4.3155 9.8929 124.8530 55.1509 39.4697 174.1814 120 G 3.8703 8.5006 104.5298 44.6331 0.0000 173.3125 121 Q 4.5762 7.7487 121.3691 53.6739 31.9348 174.5897 122 W 4.7104 8.7861 126.2987 56.7482 29.9802 175.6935 123 K 4.5928 9.0083 122.1682 54.3940 36.7918 175.5882 124 F 4.3259 8.5652 122.2476 57.6987 39.3732 176.0051 125 K 4.2940 9.3888 125.1421 57.6221 34.1814 176.1335 126 R 5.2718 7.7913 118.6847 54.6766 34.0059 173.9648 127 R 5.2358 8.8986 123.8179 53.2046 34.0649 173.8579 128 E 4.9780 9.3222 124.6574 54.2924 32.3571 174.1297 129 L 4.6523 8.8919 130.4333 54.2506 43.3203 175.7810 130 R 4.7790 9.2083 125.6639 54.7913 32.8473 175.1183 131 T 4.6578 8.6389 121.6862 62.5279 68.5938 175.0625 132 T 4.0467 8.5765 125.3984 66.4913 68.9982 175.3389 *134 T 4.4066 7.7112 109.2062 61.8953 70.4886 173.7582 135 T 4.5799 8.5140 118.5220 62.4851 72.4606 174.1422 136 D 4.5555 8.9702 125.7628 55.4555 38.6482 173.1751 137 Y 4.8951 8.1315 118.5526 57.1345 40.1599 174.3116 138 H 4.6203 7.4874 115.7547 54.8532 29.2532 174.3730 139 V 4.1989 6.7942 119.8950 61.3131 33.6658 174.6906 140 R 4.1766 8.7523 127.0754 58.5278 30.6213 176.7026 141 A 4.2136 7.8108 118.7325 52.4705 19.0350 175.9357 142 A 4.8576 7.9989 120.1943 51.1856 22.6295 175.5132 143 N 4.8104 8.6511 117.6117 51.8136 39.9570 173.5844 144 P 4.7697 0.0000 0.0000 62.3502 32.0999 176.7573 145 I 3.8034 8.3912 114.0779 62.3022 37.9409 176.5485 146 G 3.7735 8.1382 108.4779 45.6035 0.0000 173.3930 147 R 3.8632 7.9965 118.9041 55.8080 30.5848 175.9605 148 A 4.1108 8.6075 130.4286 52.8662 19.2092 177.7627 149 E 4.2799 8.6169 116.3498 56.0026 30.0394 175.1856 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 T 8.13 4.30 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 3 D 8.13 4.26 0.00 2.76 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 4 T 8.56 3.98 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 1.09 0.00 0.00 5 N 7.83 3.65 0.00 2.69 2.84 0.00 0.00 6.92 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 6 L 7.84 4.15 0.00 1.60 1.73 0.92 1.12 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 7 V 7.77 3.79 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 1.07 0.00 0.00 0.93 0.00 0.00 8 E 8.41 4.41 0.00 2.13 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 0.00 2.64 2.70 0.00 *10 R 8.02 4.15 0.00 2.04 2.01 0.00 3.31 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 11 A 7.87 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.59 3.36 1.35 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.36 0.40 0.00 0.00 13 E 7.82 3.44 0.00 1.82 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 2.02 2.03 0.00 14 R 7.62 4.06 0.00 1.92 2.03 0.00 3.26 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 *17 F 7.98 5.23 0.00 3.28 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 18 D 8.89 4.50 0.00 2.77 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 19 Y 8.25 4.20 0.00 3.25 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 20 S 8.46 4.21 0.00 4.13 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 21 Y 8.21 4.05 0.00 2.93 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 22 H 8.55 4.13 0.00 3.29 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.50 3.81 0.00 1.26 1.63 0.85 0.80 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 24 D 7.64 4.77 0.00 2.66 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 *26 N 8.04 4.49 0.00 2.66 2.78 0.00 0.00 7.04 7.89 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 27 H 8.19 5.01 0.00 3.29 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.31 0.00 2.24 2.28 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 29 E 8.17 4.03 0.00 2.01 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 2.41 2.35 0.00 30 E 8.10 4.03 0.00 1.99 1.79 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 2.23 2.11 0.00 31 L 7.99 4.36 0.00 2.06 2.05 0.84 0.25 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 32 A 8.54 4.46 1.53 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 33 A 7.89 4.29 1.46 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 0.00 0.00 34 L 8.13 4.57 0.00 2.24 1.74 1.18 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.99 5.16 0.00 2.95 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 36 V 8.14 3.93 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 0.60 0.00 0.00 1.05 0.00 0.00 37 E 9.02 4.08 0.00 2.13 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 2.41 2.41 0.00 38 D 7.77 5.08 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.98 4.95 0.00 3.30 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 40 E 9.05 5.19 0.00 1.89 1.79 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 2.21 2.24 0.00 41 V 8.92 4.71 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 0.32 0.00 0.00 0.82 0.00 0.00 42 S 8.86 4.61 0.00 3.76 3.56 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 43 Y 8.40 4.60 0.00 2.53 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 44 A 7.26 4.80 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.32 0.00 2.09 2.15 0.00 3.70 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 2.06 2.11 0.00 46 N 8.00 5.16 0.00 2.68 2.61 0.00 0.00 6.40 7.43 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 47 F 8.28 5.24 0.00 2.98 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.51 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 0.00 0.00 0.00 0.00 49 A 8.60 4.79 1.28 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 50 T 8.80 4.60 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 51 G 9.43 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.54 4.01 0.00 2.20 2.15 0.00 3.37 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 53 D 8.15 4.35 0.00 2.76 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 54 A 7.96 4.04 1.43 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 55 Y 7.97 4.12 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 3.61 0.00 2.02 1.81 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.77 7.81 57 K 7.79 4.07 0.00 2.04 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 58 T 7.69 4.25 4.46 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 1.39 0.00 0.00 59 L 7.65 4.28 0.00 1.75 1.64 0.70 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.57 3.93 0.00 1.98 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 0.00 2.26 2.14 0.00 61 G 9.09 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 0.00 0.00 0.00 0.00 62 I 7.62 3.90 2.04 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 1.40 1.08 1.01 0.00 0.00 63 G 8.05 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 64 T 7.63 4.31 4.18 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 1.18 0.00 0.00 *65 F 8.22 4.23 0.00 1.81 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 0.00 0.00 0.00 0.00 66 F 7.13 5.48 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 9.05 4.23 0.00 1.70 2.00 0.00 3.23 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 68 G 7.53 4.17 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 69 T 7.77 5.06 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 0.58 0.00 0.00 70 S 8.72 4.73 0.00 3.82 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 71 H 9.31 5.27 0.00 3.04 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 9.32 4.79 0.00 3.02 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.89 5.69 0.00 2.88 2.95 0.00 0.00 6.94 7.57 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 74 S 8.89 4.61 0.00 3.88 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 75 N 8.66 4.27 0.00 3.02 2.92 0.00 0.00 6.84 7.32 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 76 I 7.84 4.26 1.84 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 1.33 0.67 0.76 0.00 0.00 77 C 9.17 4.77 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.28 4.61 1.58 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.39 -0.01 0.00 0.00 79 D 8.79 4.82 0.00 2.44 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.76 4.63 0.00 3.07 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 81 V 8.96 3.82 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 0.86 0.00 0.00 1.01 0.00 0.00 82 S 7.67 4.72 0.00 4.01 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 83 E 8.85 4.19 0.00 2.05 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 2.25 2.21 0.00 84 T 8.06 4.40 4.15 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 1.06 0.00 0.00 85 E 8.63 5.40 0.00 2.11 1.90 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 2.29 2.35 0.00 86 A 9.44 5.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.93 5.27 0.00 2.57 2.71 0.00 0.00 6.57 7.26 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 88 V 8.92 4.76 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 0.84 0.00 0.00 0.65 0.00 0.00 89 R 8.68 4.73 0.00 1.46 1.47 0.00 3.12 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 90 S 8.57 5.17 0.00 4.08 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.79 4.96 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 1.03 0.00 0.00 0.94 0.00 0.00 92 V 8.86 5.03 2.32 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 0.77 0.00 0.00 1.10 0.00 0.00 93 L 8.92 4.99 0.00 1.77 1.53 0.64 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.71 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.45 4.69 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.41 0.83 0.00 0.00 96 H 9.09 4.79 0.00 2.72 2.44 0.00 5.78 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.56 4.87 0.00 1.80 1.85 0.00 3.13 0.00 0.00 3.28 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 98 Y 8.53 5.01 0.00 3.13 2.84 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 99 T 8.86 4.05 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 1.23 0.00 0.00 100 K 7.99 4.02 0.00 1.71 1.73 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.29 7.81 101 E 8.54 4.19 0.00 2.20 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 2.29 1.86 0.00 102 R 7.92 4.59 0.00 1.85 1.76 0.00 2.74 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 103 P 0.00 4.49 0.00 2.25 2.10 0.00 3.73 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 2.07 2.15 0.00 104 D 8.81 4.75 0.00 2.64 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 0.00 105 G 9.16 4.79 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 0.00 0.00 0.00 106 I 9.10 4.82 1.69 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 1.13 1.02 0.12 0.00 0.00 107 L 8.41 4.37 0.00 0.86 1.21 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.45 4.95 0.00 2.87 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 0.00 109 G 9.23 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.20 5.19 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 111 Y 8.86 5.18 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.67 4.96 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 9.22 5.52 0.00 2.53 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 0.00 114 T 8.86 5.02 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 1.28 0.00 0.00 115 V 8.79 4.94 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 0.38 0.00 0.00 0.70 0.00 0.00 116 V 8.91 5.03 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 0.97 0.00 0.00 117 K 8.07 4.08 0.00 0.79 0.85 0.00 1.06 0.00 0.00 1.26 0.00 0.00 2.53 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.71 0.21 7.81 118 V 8.23 4.16 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 0.55 0.00 0.00 0.87 0.00 0.00 119 D 9.89 4.32 0.00 2.67 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 0.00 120 G 8.50 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 0.00 121 Q 7.75 4.58 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 122 W 8.79 4.71 0.00 3.04 2.88 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 0.00 123 K 9.01 4.59 0.00 1.56 1.62 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.50 7.81 124 F 8.57 4.33 0.00 1.51 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 9.39 4.29 0.00 1.82 1.91 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 126 R 7.79 5.27 0.00 1.89 1.70 0.00 3.37 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 127 R 8.90 5.24 0.00 1.64 1.69 0.00 2.21 0.00 0.00 2.46 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.88 0.00 128 E 9.32 4.98 0.00 2.02 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 2.22 2.20 0.00 129 L 8.89 4.65 0.00 1.67 1.74 0.35 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 130 R 9.21 4.78 0.00 1.83 1.93 0.00 2.96 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 131 T 8.64 4.66 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 1.22 0.00 0.00 132 T 8.58 4.05 4.44 0.00 0.00 0.00 0.00 0.00 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 *134 T 7.71 4.41 4.17 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 1.06 0.00 0.00 135 T 8.51 4.58 4.35 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 1.30 0.00 0.00 136 D 8.97 4.56 0.00 3.08 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 0.00 137 Y 8.13 4.90 0.00 2.84 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 0.00 138 H 7.49 4.62 0.00 3.12 3.12 0.00 5.52 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 6.79 4.20 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 0.97 0.00 0.00 0.48 0.00 0.00 140 R 8.75 4.18 0.00 2.07 1.93 0.00 3.41 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 0.00 141 A 7.81 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 0.00 142 A 8.00 4.86 1.26 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 0.00 0.00 143 N 8.65 4.81 0.00 2.86 2.75 0.00 0.00 6.63 8.03 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 0.00 144 P 0.00 4.77 0.00 2.07 2.05 0.00 3.76 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 1.97 1.96 0.00 145 I 8.39 3.80 2.03 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 1.36 0.69 1.01 0.00 0.00 146 G 8.14 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 0.00 147 R 8.00 3.86 0.00 1.78 1.86 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 148 A 8.61 4.11 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 0.00 149 E 8.62 4.28 0.00 1.99 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 2.16 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.