NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.8587 8.4431 115.4536 55.4040 43.9047 172.0226 5 G 3.9660 7.9428 114.4795 44.2307 0.0000 169.7063 6 N 4.1392 8.5760 125.0341 53.2718 44.5297 174.2905 *11 N 4.4840 8.8273 127.3755 54.8763 39.0039 174.1682 12 V 4.4474 7.7619 115.9581 59.8590 35.1299 176.2335 13 K 3.7012 8.9121 117.2066 56.6923 29.5442 173.2301 14 D 4.2157 7.5471 121.2282 54.5168 38.3210 174.6053 15 I 3.5066 7.8000 125.3412 63.9325 37.1781 178.2820 16 T 3.7796 7.6977 116.4955 66.4990 68.1341 176.3128 17 K 3.8983 7.8037 119.6897 59.1562 32.5693 178.1108 18 L 3.8942 7.3047 119.2263 58.2474 41.7182 179.1781 19 V 3.6025 8.0270 118.2076 65.9379 31.1826 177.7092 20 A 4.0943 7.8882 119.4555 53.8464 18.2728 177.4488 21 N 4.7376 7.7070 113.8333 53.1460 39.3126 174.0894 22 L 4.8446 7.1883 116.0738 52.3569 44.3043 174.6389 23 P 4.4682 0.0000 0.0000 62.3850 31.8976 177.5410 24 N 4.4297 8.9853 120.3841 55.8214 38.5890 175.4164 25 D 4.8054 7.9547 114.6879 52.8903 40.0560 175.3497 26 Y 4.3705 7.8875 122.7645 58.2475 39.3264 174.7285 27 M 4.4311 8.1912 126.6513 54.3536 33.4490 175.4343 28 I 4.0612 9.0923 126.5518 59.6432 39.2235 175.2913 29 T 4.6990 8.3088 124.7494 63.3728 69.2456 174.0558 30 L 4.9346 9.1746 127.8733 52.8343 46.0302 174.9729 31 N 5.1193 9.0306 124.0417 52.5629 38.4823 173.5794 32 Y 4.1755 9.0910 126.6026 57.2489 40.4060 174.6056 33 V 4.1926 7.7235 126.6085 61.1573 32.3321 174.8383 34 A 3.9436 8.5045 131.0711 54.2050 18.6708 177.6141 35 G 3.9317 8.9046 109.9747 45.2086 0.0000 174.9448 36 M 2.0000 6.8501 119.2815 57.3800 32.0374 176.7042 37 D 4.4986 7.6366 115.9272 54.1735 40.4006 177.1937 38 V 4.2485 7.2911 110.7857 62.3642 34.3741 176.1101 39 L 4.2576 8.4232 120.9470 53.8413 42.7836 174.6771 40 P 4.4843 0.0000 0.0000 62.6786 32.2268 177.1041 41 S 2.7900 8.9257 116.9007 61.5451 62.1521 176.3086 42 H 4.5593 8.0494 115.0271 58.3339 28.1596 177.2938 43 C 4.4668 8.0107 119.4353 58.3331 40.3464 174.0998 44 W 4.6782 7.1260 114.4705 55.2502 29.8089 176.7915 45 L 3.6237 7.4777 121.8035 58.2506 41.3104 178.6315 46 R 3.7580 7.7879 117.6350 59.7115 29.8896 177.9874 47 D 4.3501 8.0115 117.8681 57.7266 40.8344 178.5538 48 M 4.0697 8.4811 119.7584 58.2929 31.9288 179.2335 49 V 3.5429 8.2428 119.8757 64.7507 31.5254 178.6373 50 I 3.7013 7.6145 120.3627 64.2681 36.9218 178.4359 51 Q 4.0647 8.3700 119.1489 58.8846 28.4893 178.8240 52 L 4.1065 8.2935 120.4504 57.6736 41.6322 179.2909 53 S 4.1293 8.0754 113.1326 61.4544 62.3455 176.1917 54 L 4.0061 7.9058 121.3931 58.1265 41.3163 179.6976 55 S 4.1811 8.3131 114.9519 61.6930 62.7715 176.9046 56 L 4.0465 8.5675 122.0183 57.9461 41.2286 179.4522 57 T 3.8634 8.0742 115.7348 67.1733 68.2459 176.6023 58 T 3.9046 7.7207 115.8085 66.4937 68.7282 176.1359 59 L 4.2134 8.3324 122.5868 58.1635 42.1924 178.5423 60 L 3.9982 8.3920 120.6926 58.3629 41.7918 178.0427 61 D 4.6614 7.7769 114.8545 55.7097 41.1976 176.9538 62 K 4.2814 8.0634 116.9993 56.4224 32.7398 175.7331 63 F 4.9049 7.7980 117.2172 55.6255 42.4989 174.4271 64 S 4.6550 8.4578 117.6599 56.9794 64.4180 174.7627 65 N 4.0493 7.8665 122.0720 52.6062 37.2305 173.6992 66 I 4.0261 7.9357 125.7752 60.4485 38.0726 176.6973 67 S 4.2352 8.8138 120.7587 60.3384 63.4088 174.0635 68 E 4.5506 7.9207 120.3807 55.0455 31.4132 175.1221 69 G 4.1028 9.4216 114.6730 45.0733 0.0000 173.5510 70 L 3.4789 7.8592 118.9489 55.5200 39.8936 174.4130 71 S 4.5432 8.0482 116.7132 56.9841 65.9320 175.0394 72 N 4.0787 8.4193 119.7228 56.3189 38.0872 176.8541 73 Y 3.8417 7.9200 120.7154 60.6551 38.8408 178.2846 74 S 4.1722 8.0104 114.4177 61.6179 62.9954 176.4065 75 I 3.5853 7.4796 123.5976 63.9106 36.7885 178.4622 76 I 3.5947 7.6596 120.6283 64.4042 37.0231 177.9710 77 D 4.1278 8.0368 119.0267 57.0942 41.0745 178.2669 78 K 3.9423 8.1575 120.1957 59.5691 32.3612 178.8778 79 L 4.2257 8.2847 119.6666 57.6773 41.4438 179.7816 80 G 3.6726 8.3335 106.1517 47.6081 0.0000 176.0739 81 K 4.0475 8.0515 120.5151 59.2190 32.0686 179.4837 82 I 3.6992 7.7352 120.0016 64.4838 36.9969 178.7001 83 V 3.5492 7.8320 118.7127 65.7919 31.2431 177.8148 84 D 4.3035 8.1748 118.9373 57.4826 40.6835 178.4766 85 D 4.3118 8.2009 119.3395 57.3122 40.7421 178.8732 86 L 3.5566 7.7269 119.5639 57.4176 41.4671 179.7423 87 V 3.4618 8.3487 118.7029 65.6484 31.3957 177.6093 88 L 3.8650 7.9761 120.2743 58.3909 41.4036 177.9458 89 C 4.2006 8.1129 118.0221 60.3175 38.0548 175.6263 90 M 3.9265 8.1354 120.0806 58.1907 31.2346 178.5061 91 E 3.9268 8.4068 119.3381 59.1594 29.9626 178.2391 92 E 4.1298 8.4564 118.4398 58.2281 29.6800 176.8271 93 N 4.9322 7.3282 111.9279 52.4107 40.0196 174.4459 94 A 4.1174 7.5798 121.4407 51.4553 18.9038 176.1370 95 P 4.5555 0.0000 0.0000 61.7168 32.2458 176.5874 96 K 4.0588 8.3951 119.1931 58.0981 32.4771 177.0935 97 N 4.0559 9.5829 119.3743 54.4625 36.1365 174.7091 98 I 3.0942 7.3976 115.9228 62.6357 36.9494 174.8873 *101 S 4.2109 7.9475 117.3705 57.6867 62.9939 171.2389 102 P 4.0194 0.0000 0.0000 64.5218 32.2560 176.3253 103 K 4.2909 7.1719 117.4520 55.5869 34.9346 175.2930 104 R 4.1658 8.4908 122.6287 55.6127 30.6634 174.8957 105 P 4.5699 0.0000 0.0000 62.5533 32.5939 176.1529 106 E 4.3278 9.5750 124.5099 55.3631 30.4357 175.6938 107 T 4.5301 8.6175 124.8542 64.2903 68.9985 173.8614 108 R 4.7933 9.3346 125.4416 54.1912 35.0704 174.3473 109 S 5.1407 8.0586 113.8108 56.7386 65.3202 173.5002 110 F 4.9148 9.1034 120.6500 55.7061 43.4395 174.7030 111 T 4.5008 8.7123 115.3283 61.1008 68.2249 173.8674 112 P 4.5988 0.0000 0.0000 65.7798 31.1709 178.8164 113 E 4.1319 8.3581 116.9080 59.6829 29.5977 179.1885 114 E 4.0568 8.2994 118.1001 59.1420 29.6129 179.0025 115 F 3.8199 8.8398 121.1241 61.3232 39.6166 176.9792 116 F 4.3311 8.4718 115.9725 59.1100 38.7167 177.5511 117 S 4.2422 7.7920 114.1253 61.2573 62.3020 175.9599 118 I 3.6052 7.4849 122.3220 64.0230 36.6399 178.2404 119 F 3.8100 7.7808 121.4995 61.3765 39.2302 176.9706 120 N 4.4612 8.4940 116.1224 56.5608 38.3694 177.7186 121 R 4.0042 8.2793 119.4876 59.1419 30.0867 179.3788 122 S 4.3953 8.1016 115.1943 61.5881 62.8487 176.5672 123 I 3.5697 7.7274 122.7597 64.5355 36.6226 178.1836 124 D 4.3911 8.1304 118.1510 57.3945 40.9621 178.3319 125 A 4.1734 8.1973 121.2397 55.2408 18.2135 179.4595 126 F 4.0536 8.3268 119.1280 61.1689 39.2362 176.8441 127 K 4.4005 7.8125 114.6289 57.3186 31.6586 177.5224 128 D 4.6488 7.6109 117.8892 54.1823 42.9572 175.0070 129 F 3.9791 7.6863 123.1389 57.9210 39.6598 174.7789 *136 S 4.2160 8.4923 122.0138 58.1518 63.6812 172.6822 137 D 5.0357 8.3485 124.1164 51.0754 41.6042 177.4993 138 C 4.5501 8.6220 118.2408 57.2563 38.2485 172.5025 139 V 4.6103 7.9208 122.3565 60.6569 33.9519 174.8783 140 L 4.7589 7.9457 125.0365 53.7924 45.6839 176.5286 141 S 4.0465 8.7984 114.7957 59.0050 64.3304 172.1250 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 4 C 8.44 4.86 0.00 3.22 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.94 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 6 N 8.58 4.14 0.00 2.79 2.49 0.00 0.00 6.65 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 N 8.83 4.48 0.00 2.71 2.84 0.00 0.00 6.58 7.71 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 12 V 7.76 4.45 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 0.89 0.00 0.00 0.96 0.00 0.00 13 K 8.91 3.70 0.00 1.83 1.81 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 14 D 7.55 4.22 0.00 2.93 2.63 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 0.00 0.00 0.00 0.00 15 I 7.80 3.51 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.35 0.56 0.00 0.00 16 T 7.70 3.78 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 1.19 0.00 0.00 17 K 7.80 3.90 0.00 1.68 1.75 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 18 L 7.30 3.89 0.00 1.65 1.33 0.31 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.03 3.60 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 1.02 0.00 0.00 0.97 0.00 0.00 20 A 7.89 4.09 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 21 N 7.71 4.74 0.00 2.83 2.91 0.00 0.00 7.04 7.39 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 22 L 7.19 4.84 0.00 1.73 1.68 1.13 1.02 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 23 P 0.00 4.47 0.00 2.28 2.01 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 24 N 8.99 4.43 0.00 2.75 2.95 0.00 0.00 6.93 8.06 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 25 D 7.95 4.81 0.00 2.80 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 26 Y 7.89 4.37 0.00 2.96 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 27 M 8.19 4.43 0.00 1.78 1.80 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 28 I 9.09 4.06 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.06 0.00 0.00 29 T 8.31 4.70 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 1.23 0.00 0.00 30 L 9.17 4.93 0.00 2.04 1.85 1.05 0.54 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 31 N 9.03 5.12 0.00 2.98 2.85 0.00 0.00 7.03 7.46 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 32 Y 9.09 4.18 0.00 3.29 3.07 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 33 V 7.72 4.19 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 0.90 0.00 0.00 0.90 0.00 0.00 34 A 8.50 3.94 1.30 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 0.00 0.00 35 G 8.90 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 36 M 6.85 2.00 0.00 1.05 1.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.82 0.00 37 D 7.64 4.50 0.00 2.79 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 38 V 7.29 4.25 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 0.73 0.00 0.00 0.99 0.00 0.00 39 L 8.42 4.26 0.00 1.84 1.90 1.02 0.77 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 40 P 0.00 4.48 0.00 2.28 2.21 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 41 S 8.93 2.79 0.00 3.57 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.05 4.56 0.00 3.41 3.26 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.01 4.47 0.00 3.12 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 44 W 7.13 4.68 0.00 3.40 3.20 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 45 L 7.48 3.62 0.00 1.33 1.32 0.72 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.79 3.76 0.00 1.77 1.87 0.00 3.38 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 47 D 8.01 4.35 0.00 2.90 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 48 M 8.48 4.07 0.00 2.11 2.55 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 49 V 8.24 3.54 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 0.72 0.00 0.00 50 I 7.61 3.70 2.03 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 1.50 0.61 0.92 0.00 0.00 51 Q 8.37 4.06 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 52 L 8.29 4.11 0.00 1.81 1.83 0.74 0.66 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 53 S 8.08 4.13 0.00 4.00 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 54 L 7.91 4.01 0.00 1.95 1.74 0.95 1.00 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 55 S 8.31 4.18 0.00 4.26 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.57 4.05 0.00 1.88 1.78 1.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.07 3.86 4.47 0.00 0.00 0.00 0.00 0.00 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 58 T 7.72 3.90 4.39 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 1.22 0.00 0.00 59 L 8.33 4.21 0.00 1.96 1.82 1.02 0.86 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 60 L 8.39 4.00 0.00 1.75 1.80 -0.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.78 4.66 0.00 2.73 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.06 4.28 0.00 1.86 1.28 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 63 F 7.80 4.90 0.00 3.17 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 64 S 8.46 4.65 0.00 3.86 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 65 N 7.87 4.05 0.00 1.44 2.30 0.00 0.00 7.08 7.94 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 66 I 7.94 4.03 1.89 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 1.48 0.87 0.95 0.00 0.00 67 S 8.81 4.24 0.00 3.96 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 68 E 7.92 4.55 0.00 1.91 1.83 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 2.17 2.25 0.00 69 G 9.42 4.10 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 0.00 0.00 0.00 70 L 7.86 3.48 0.00 1.70 1.60 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.05 4.54 0.00 4.14 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 72 N 8.42 4.08 0.00 2.20 1.95 0.00 0.00 6.43 7.48 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 73 Y 7.92 3.84 0.00 3.29 2.96 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 74 S 8.01 4.17 0.00 4.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.48 3.59 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.81 0.00 0.00 76 I 7.66 3.59 1.69 0.00 0.00 0.47 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 0.51 0.85 0.00 0.00 77 D 8.04 4.13 0.00 2.35 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 78 K 8.16 3.94 0.00 1.89 2.00 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 79 L 8.28 4.23 0.00 1.87 1.69 0.60 1.13 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 80 G 8.33 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.05 4.05 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.72 7.81 82 I 7.74 3.70 2.12 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 1.71 1.27 0.91 0.00 0.00 83 V 7.83 3.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.12 0.00 0.00 84 D 8.17 4.30 0.00 2.91 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.20 4.31 0.00 2.80 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 86 L 7.73 3.56 0.00 1.54 1.15 0.44 -0.96 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 87 V 8.35 3.46 2.16 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 0.96 0.00 0.00 0.92 0.00 0.00 88 L 7.98 3.86 0.00 1.93 1.78 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.11 4.20 0.00 3.19 3.29 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 90 M 8.14 3.93 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 91 E 8.41 3.93 0.00 2.01 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 0.00 2.31 2.35 0.00 92 E 8.46 4.13 0.00 2.09 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 0.00 2.33 2.40 0.00 93 N 7.33 4.93 0.00 2.76 2.81 0.00 0.00 6.94 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 94 A 7.58 4.12 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 95 P 0.00 4.56 0.00 2.38 2.04 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 96 K 8.40 4.06 0.00 1.75 1.75 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 97 N 9.58 4.06 0.00 2.79 2.85 0.00 0.00 7.03 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.40 3.09 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 1.31 0.23 0.92 0.00 0.00 *101 S 7.95 4.21 0.00 3.86 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 0.00 102 P 0.00 4.02 0.00 2.09 2.07 0.00 3.79 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 2.07 2.14 0.00 103 K 7.17 4.29 0.00 1.66 1.63 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.37 7.81 104 R 8.49 4.17 0.00 1.86 1.88 0.00 3.44 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 105 P 0.00 4.57 0.00 1.98 2.09 0.00 3.69 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 2.04 2.09 0.00 106 E 9.57 4.33 0.00 2.10 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 0.00 2.31 2.32 0.00 107 T 8.62 4.53 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 1.28 0.00 0.00 108 R 9.33 4.79 0.00 1.55 1.26 0.00 2.85 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 109 S 8.06 5.14 0.00 3.68 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 0.00 110 F 9.10 4.91 0.00 3.08 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 0.00 111 T 8.71 4.50 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 112 P 0.00 4.60 0.00 2.40 2.40 0.00 3.80 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 113 E 8.36 4.13 0.00 2.08 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 2.48 2.42 0.00 114 E 8.30 4.06 0.00 2.40 2.20 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 2.50 2.47 0.00 115 F 8.84 3.82 0.00 3.08 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 0.00 116 F 8.47 4.33 0.00 3.40 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 0.00 117 S 7.79 4.24 0.00 4.00 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 0.00 118 I 7.48 3.61 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 0.71 0.00 0.00 119 F 7.78 3.81 0.00 2.75 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 0.00 120 N 8.49 4.46 0.00 3.14 2.95 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.28 4.00 0.00 1.91 2.02 0.00 3.12 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 122 S 8.10 4.40 0.00 3.84 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 0.00 123 I 7.73 3.57 1.95 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 0.91 0.00 0.00 124 D 8.13 4.39 0.00 2.85 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 0.00 125 A 8.20 4.17 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 0.00 126 F 8.33 4.05 0.00 2.99 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 0.00 127 K 7.81 4.40 0.00 2.00 1.85 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.85 7.81 128 D 7.61 4.65 0.00 2.62 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 0.00 129 F 7.69 3.98 0.00 2.63 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 *136 S 8.49 4.22 0.00 4.07 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 0.00 137 D 8.35 5.04 0.00 2.80 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 0.00 138 C 8.62 4.55 0.00 3.02 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 0.00 139 V 7.92 4.61 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 0.86 0.00 0.00 0.98 0.00 0.00 140 L 7.95 4.76 0.00 1.62 1.50 0.94 0.96 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 0.00 141 S 8.80 4.05 0.00 4.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.