NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4029 8.1233 123.6005 52.3639 20.8799 179.1264 3 D 4.1754 7.9846 115.4444 56.6169 40.7874 177.9028 4 F 3.9995 9.0262 119.5092 60.6954 39.2094 176.9259 5 D 4.4204 8.2140 116.5700 57.1224 41.0022 178.2096 6 A 4.1388 8.1634 121.5541 55.2268 18.1929 179.8574 7 V 3.6100 7.6090 115.5588 66.1022 31.6353 177.9833 8 L 4.2691 7.6327 117.3322 57.2361 41.3641 179.9720 9 K 4.1019 7.4202 115.3785 56.6818 32.1221 177.6402 *11 W 4.8437 8.1178 130.1073 56.8368 32.7702 177.0458 12 G 3.8041 8.4110 104.9654 48.2318 0.0000 173.7807 13 P 4.2094 0.0000 0.0000 64.2943 31.6158 178.8376 14 V 3.2619 6.9907 117.2239 65.7759 31.3005 177.5813 15 E 2.5400 7.1492 117.2934 58.1381 29.4173 178.2564 16 A 4.0977 7.4170 120.3379 54.2196 19.8300 177.5918 17 D 4.6473 7.5073 115.9899 52.3322 42.7720 174.9779 18 Y 4.3216 7.9713 121.4149 60.8092 38.1688 178.0985 19 T 3.8928 7.9416 116.3267 66.9224 68.7728 176.8432 20 T 3.8180 8.2571 117.5786 66.8304 68.4888 177.0156 21 I 3.8106 7.9951 121.9604 64.0626 37.0456 178.7460 22 G 3.6841 8.4080 107.2671 47.7686 0.0000 176.0323 23 G 3.6100 8.1777 109.7102 46.8248 0.0000 175.7822 24 L 3.9051 7.9321 121.3317 57.4458 41.5259 179.7575 25 V 3.4787 7.8014 118.0681 66.1387 31.5166 178.1919 26 L 3.4179 7.7544 118.6227 57.6441 40.8317 179.5740 27 T 3.7293 7.8101 115.9508 66.7031 68.3210 176.6490 28 R 3.8719 7.9002 120.5024 58.9815 30.0719 178.0637 29 L 3.9558 7.9323 120.5552 58.4889 41.9228 179.2072 30 F 4.6338 7.9435 117.5566 60.3360 38.5530 177.7605 31 K 4.0926 8.0410 118.8092 59.4094 32.1502 178.3630 32 E 4.2886 8.3517 117.6041 57.6126 31.0717 176.8017 33 H 4.9905 8.2594 115.9783 52.3897 29.8451 172.0275 34 P 4.7266 0.0000 0.0000 64.8586 31.6082 178.3711 35 E 4.0988 8.2873 117.3813 59.2499 29.4977 178.9431 36 T 4.0604 8.3400 111.2410 64.6145 68.8745 176.4101 37 Q 3.3471 8.0739 122.1991 58.6971 28.7491 178.0801 38 K 4.1505 7.4755 117.5628 58.4047 32.1825 178.4130 39 L 4.3661 7.7162 117.9220 54.8657 42.5981 177.1554 40 F 4.5377 7.8499 119.3131 54.4626 38.5199 174.0905 41 P 4.2066 0.0000 0.0000 65.1171 31.4957 178.4258 42 K 4.0584 7.7976 116.3397 58.2635 32.3791 177.4995 43 F 4.9631 8.0271 116.3320 57.3820 40.7541 175.6593 44 A 4.0598 7.9427 123.3231 53.9258 18.3603 177.5498 45 G 3.9877 8.8333 111.0667 45.1775 0.0000 173.8956 46 I 3.7586 7.2585 120.8650 60.6519 37.5781 175.8761 47 A 4.0220 8.6571 128.1349 52.4510 19.0571 177.7928 48 Q 3.9314 8.9603 122.9085 59.2224 29.2148 178.6481 49 A 4.1014 7.9838 118.7856 54.4039 18.5240 177.3653 50 D 4.8024 8.0901 114.4628 54.2802 41.5148 177.4167 51 I 3.9481 7.7754 122.1842 63.5546 37.7250 178.1065 52 A 3.9530 7.5419 121.6010 54.3365 18.2319 178.1629 53 G 3.8035 7.8756 101.5191 45.7132 0.0000 173.2738 54 N 4.5607 8.0709 119.9575 52.4608 39.7653 175.4511 55 A 4.0054 8.5748 130.2432 55.0446 18.6370 179.0255 56 A 4.0033 8.0388 119.0901 55.1632 18.4853 179.8246 57 V 2.6779 8.0878 117.0059 66.0915 31.1642 178.5040 58 S 4.0891 7.9815 114.6277 61.4535 62.6742 176.5552 59 A 4.0289 8.3028 123.7926 55.4781 18.1540 179.2264 60 H 4.3572 8.5893 116.9704 59.2357 29.9126 177.6878 61 G 3.5787 8.4322 107.7281 47.6308 0.0000 175.4659 62 A 4.0897 8.1986 123.0815 55.2650 18.4547 179.6779 63 T 3.7425 7.7525 114.0790 66.7690 68.5597 176.8392 64 V 3.5744 7.7077 119.7832 66.2229 31.5707 178.1815 65 L 4.2465 8.0855 118.7319 57.6113 41.3404 179.5905 66 K 3.3959 8.0123 119.0288 59.0745 31.9163 179.2265 67 K 3.9189 7.9522 119.7418 59.4945 32.0615 178.8599 68 L 4.1017 8.1937 119.4498 57.7480 41.5423 179.7433 69 G 3.5209 8.7447 106.1474 47.6048 0.0000 175.2539 70 E 3.9481 8.4743 121.9148 59.0406 29.4197 178.9141 71 L 3.8643 7.6081 117.5383 57.8685 41.8102 179.1548 72 L 4.2210 7.6731 117.4800 57.7346 41.6514 179.2948 73 K 4.1547 7.9066 115.5795 56.4034 32.6046 177.4274 74 A 4.0421 6.9580 123.0690 52.6902 18.6305 177.4872 75 K 4.4811 8.5082 121.8163 56.1628 32.8288 176.5394 76 G 3.8101 7.9460 108.1061 43.8968 0.0000 174.1938 77 S 4.0617 8.6457 118.8511 58.8627 64.2361 173.5332 78 H 4.4233 8.8185 127.7352 56.8539 28.0004 176.9293 79 A 4.1614 5.8000 133.7539 54.3159 18.7594 179.0556 80 A 4.1138 7.9088 118.6540 53.9342 18.3794 179.1085 81 I 3.9921 7.4854 118.2504 63.7872 37.7835 177.8357 82 L 4.2774 8.1080 119.5829 56.8079 41.5190 179.2874 83 K 3.9448 8.0810 119.9851 59.1187 32.1650 177.1179 84 P 4.2356 0.0000 0.0000 65.3417 31.2304 178.3606 85 L 4.0260 7.5439 119.5198 57.9787 41.9136 178.9120 86 A 4.1596 8.0869 120.7623 55.2378 18.3799 179.2412 87 N 4.1906 8.3732 115.4412 56.5603 38.6045 177.8563 88 S 4.0263 8.2135 115.5520 61.8301 63.1472 176.2395 89 H 4.1842 8.5085 119.6886 58.1098 28.2298 177.7585 90 A 3.0142 7.8045 122.6344 54.4840 18.1842 178.9601 91 T 4.0805 7.3537 105.9897 62.4005 69.7728 175.9839 92 K 4.1903 7.5031 119.2102 58.4967 33.1007 177.4258 93 H 4.3189 7.8501 113.9188 55.9907 29.4681 175.5333 94 K 3.6976 7.6640 117.0313 57.2862 28.8093 176.1162 95 I 4.2420 7.8505 118.9461 58.8592 38.4289 175.0409 96 P 4.5066 0.0000 0.0000 62.6832 32.0854 177.5112 97 I 3.8287 8.6454 122.7174 64.8245 37.0054 178.1395 98 N 4.3680 8.2422 117.0374 56.6094 38.7143 176.3870 99 N 4.3208 8.1909 117.9449 56.1148 38.4662 177.2388 100 F 4.2054 8.1400 119.4336 60.2370 38.9046 177.8028 101 K 4.0276 8.1094 117.8741 59.3651 32.0232 179.1844 102 L 3.8944 7.6549 118.7670 57.8744 41.4813 179.4920 103 I 3.7642 7.8419 118.5018 63.9751 37.8852 178.1633 104 S 4.1519 8.1535 116.3172 61.4962 62.7910 176.3092 105 E 3.9780 8.3200 121.3240 59.4739 29.1595 179.6713 106 V 3.5824 7.6980 117.8195 65.9170 31.5394 177.6995 107 L 3.9381 8.1618 120.2966 58.1400 41.8142 178.9906 108 V 3.6002 7.8958 118.0748 66.0640 31.4657 178.2158 109 K 4.3577 7.8881 119.0546 59.0609 31.8617 179.5793 110 V 3.5854 8.1082 118.8656 66.2968 31.4031 178.0294 111 M 4.0581 8.4244 118.7158 58.1425 31.6151 178.6190 112 Q 3.9994 8.3348 118.6722 59.1439 28.6831 178.7611 113 E 4.0797 8.0127 118.0981 58.0734 29.7704 178.2253 114 K 4.5481 8.2321 115.5947 55.8880 33.7839 176.6296 115 A 4.5587 7.7336 120.5473 50.9518 19.9277 176.2697 116 G 3.8838 8.3045 104.1719 47.2281 0.0000 174.2235 117 L 3.9755 7.3322 119.4848 54.7238 42.1187 176.6947 118 D 4.8093 8.3425 127.4977 51.9415 43.1139 176.3085 119 A 4.0732 8.4784 119.9659 55.6747 18.3215 180.0309 120 G 3.6685 8.1849 103.8527 47.8736 0.0000 176.0424 121 G 3.6282 8.7068 108.3432 47.4847 0.0000 175.6061 122 Q 3.9773 8.6030 122.3436 59.1814 28.9549 178.2971 123 T 3.8174 7.9380 116.5438 66.7384 68.4939 176.1434 124 A 3.9009 8.0053 122.2321 55.1830 18.3587 179.4479 125 L 3.8042 8.2071 119.0833 58.3596 42.0921 179.2995 126 R 3.9134 8.2819 118.3478 59.2639 29.9601 178.8362 127 N 4.2410 8.3333 116.4358 56.2350 38.5525 177.5868 128 V 3.0873 7.6666 119.6470 66.2524 31.5243 178.0445 129 M 4.1485 8.3740 118.8853 58.1590 31.7068 179.0155 130 G 3.6001 8.3691 106.3753 47.7098 0.0000 175.8186 131 I 3.7257 7.8162 122.1856 64.1553 37.0684 178.5004 132 I 3.6446 7.8156 120.5158 64.5940 36.9008 178.6265 133 I 3.4877 8.0963 120.6941 64.2255 36.9005 178.4292 134 A 3.9337 8.1087 121.7210 55.0495 18.1157 179.2754 135 D 4.2235 8.0591 116.6035 57.3719 41.3561 178.2693 136 L 3.8606 7.9615 119.8430 57.8965 41.5786 179.2272 137 E 3.7874 8.3278 119.1481 59.0434 29.5258 178.6853 138 A 4.0276 8.1181 120.8556 55.4100 18.3678 179.4593 139 N 4.4269 8.5047 115.1022 56.3226 38.4920 177.2266 140 Y 4.1669 8.7440 118.8711 61.2081 37.9797 178.7483 141 K 4.3664 8.3122 121.6486 59.1557 32.0614 178.6443 142 E 4.0132 8.1493 117.9977 58.9327 29.4483 178.3931 143 L 4.4549 7.5767 116.8608 54.8967 42.0233 177.5030 144 G 3.8129 8.2642 107.7227 45.4214 0.0000 174.7132 145 F 4.6865 8.4227 120.5494 55.3580 37.5903 175.0478 146 S 4.7445 7.5389 115.5045 58.9570 66.2912 174.6381 147 G 3.9237 8.5025 116.3664 46.3755 0.0000 172.9687 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 A 8.12 4.40 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 3 D 7.98 4.18 0.00 2.62 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 4 F 9.03 4.00 0.00 2.99 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 5 D 8.21 4.42 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.14 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 7 V 7.61 3.61 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 0.87 0.00 0.00 0.90 0.00 0.00 8 L 7.63 4.27 0.00 1.89 1.76 0.93 0.74 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 9 K 7.42 4.10 0.00 1.92 1.86 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 *11 W 8.12 4.84 0.00 3.50 3.11 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 12 G 8.41 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.21 0.00 1.90 2.03 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 14 V 6.99 3.26 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 0.00 0.00 0.06 0.00 0.00 0.41 0.00 0.00 15 E 7.15 2.54 0.00 1.74 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 2.18 2.15 0.00 16 A 7.42 4.10 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 17 D 7.51 4.65 0.00 2.58 2.40 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 18 Y 7.97 4.32 0.00 3.01 2.79 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 19 T 7.94 3.89 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 1.21 0.00 0.00 20 T 8.26 3.82 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 1.16 0.00 0.00 21 I 8.00 3.81 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.78 0.00 0.00 22 G 8.41 3.68 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 0.00 0.00 0.00 23 G 8.18 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.93 3.91 0.00 1.84 1.67 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.80 3.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 26 L 7.75 3.42 0.00 1.34 0.82 0.87 0.36 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 27 T 7.81 3.73 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 1.17 0.00 0.00 28 R 7.90 3.87 0.00 1.92 2.01 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 29 L 7.93 3.96 0.00 1.73 1.40 0.96 1.31 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 30 F 7.94 4.63 0.00 3.04 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 31 K 8.04 4.09 0.00 1.87 1.95 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 32 E 8.35 4.29 0.00 1.90 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 2.28 2.47 0.00 33 H 8.26 4.99 0.00 3.36 3.31 0.00 5.62 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 34 P 0.00 4.73 0.00 2.28 2.34 0.00 3.90 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 2.10 1.90 0.00 35 E 8.29 4.10 0.00 2.21 2.29 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 2.41 2.34 0.00 36 T 8.34 4.06 4.52 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 1.37 0.00 0.00 37 Q 8.07 3.35 0.00 1.77 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 1.93 1.16 0.00 38 K 7.48 4.15 0.00 1.90 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 39 L 7.72 4.37 0.00 1.73 1.48 0.88 0.80 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 40 F 7.85 4.54 0.00 3.21 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 41 P 0.00 4.21 0.00 1.96 2.08 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 42 K 7.80 4.06 0.00 1.03 1.60 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.28 7.81 43 F 8.03 4.96 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 44 A 7.94 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.83 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 0.00 0.00 0.00 46 I 7.26 3.76 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.90 0.00 0.00 47 A 8.66 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.96 3.93 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 49 A 7.98 4.10 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 50 D 8.09 4.80 0.00 2.81 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 51 I 7.78 3.95 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.94 0.00 0.00 52 A 7.54 3.95 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 53 G 7.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.07 4.56 0.00 2.89 2.68 0.00 0.00 7.06 7.75 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 55 A 8.57 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.04 4.00 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 57 V 8.09 2.68 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 0.75 0.00 0.00 -0.05 0.00 0.00 58 S 7.98 4.09 0.00 4.01 4.04 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 59 A 8.30 4.03 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 60 H 8.59 4.36 0.00 3.60 3.58 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.43 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 62 A 8.20 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.75 3.74 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 1.24 0.00 0.00 64 V 7.71 3.57 2.23 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 1.11 0.00 0.00 1.01 0.00 0.00 65 L 8.09 4.25 0.00 1.73 1.93 0.97 0.97 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 66 K 8.01 3.40 0.00 1.73 1.68 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.81 0.75 7.81 67 K 7.95 3.92 0.00 1.99 2.02 0.00 1.53 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 68 L 8.19 4.10 0.00 2.13 1.69 1.10 0.68 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 69 G 8.74 3.52 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 0.00 0.00 0.00 70 E 8.47 3.95 0.00 2.12 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 0.00 2.29 2.36 0.00 71 L 7.61 3.86 0.00 1.82 1.67 0.91 0.82 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 72 L 7.67 4.22 0.00 1.42 1.52 -0.40 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.91 4.15 0.00 1.77 1.85 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.47 7.81 74 A 6.96 4.04 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 75 K 8.51 4.48 0.00 1.72 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.39 7.81 76 G 7.95 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 0.00 0.00 0.00 77 S 8.65 4.06 0.00 3.83 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 78 H 8.82 4.42 0.00 3.08 2.91 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 5.80 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.91 4.11 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 81 I 7.49 3.99 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.84 0.89 0.00 0.00 82 L 8.11 4.28 0.00 1.67 1.75 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.08 3.94 0.00 1.91 1.80 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 84 P 0.00 4.24 0.00 2.21 2.09 0.00 3.74 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 2.24 2.14 0.00 85 L 7.54 4.03 0.00 1.89 1.81 1.01 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 86 A 8.09 4.16 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 87 N 8.37 4.19 0.00 2.89 2.85 0.00 0.00 6.83 7.96 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 88 S 8.21 4.03 0.00 3.93 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 89 H 8.51 4.18 0.00 3.69 3.83 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.80 3.01 -0.02 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 0.00 0.00 91 T 7.35 4.08 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 1.20 0.00 0.00 92 K 7.50 4.19 0.00 1.55 1.70 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.31 7.81 93 H 7.85 4.32 0.00 2.99 3.13 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.66 3.70 0.00 1.85 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.50 7.81 95 I 7.85 4.24 2.01 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.59 0.00 0.00 96 P 0.00 4.51 0.00 2.19 2.03 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 97 I 8.65 3.83 1.83 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.88 0.87 0.00 0.00 98 N 8.24 4.37 0.00 2.84 2.82 0.00 0.00 7.23 6.71 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 99 N 8.19 4.32 0.00 2.59 2.66 0.00 0.00 6.87 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 0.00 100 F 8.14 4.21 0.00 3.25 3.05 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 0.00 101 K 8.11 4.03 0.00 1.97 1.87 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 102 L 7.65 3.89 0.00 1.74 1.42 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.84 3.76 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 1.07 0.00 0.00 104 S 8.15 4.15 0.00 4.13 3.92 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 0.00 105 E 8.32 3.98 0.00 2.21 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 0.00 2.35 2.51 0.00 106 V 7.70 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 107 L 8.16 3.94 0.00 1.91 1.86 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.90 3.60 2.26 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 1.06 0.00 0.00 1.03 0.00 0.00 109 K 7.89 4.36 0.00 2.04 1.83 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 110 V 8.11 3.59 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.92 0.00 0.00 111 M 8.42 4.06 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 112 Q 8.33 4.00 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 113 E 8.01 4.08 0.00 2.07 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 2.49 0.00 114 K 8.23 4.55 0.00 1.69 1.74 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.49 7.81 115 A 7.73 4.56 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 0.00 116 G 8.30 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 0.00 117 L 7.33 3.98 0.00 1.73 1.69 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.34 4.81 0.00 2.98 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 0.00 119 A 8.48 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 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 0.00 121 G 8.71 3.63 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 0.00 0.00 0.00 122 Q 8.60 3.98 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 123 T 7.94 3.82 4.42 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 1.19 0.00 0.00 124 A 8.01 3.90 1.40 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 0.00 125 L 8.21 3.80 0.00 1.82 1.80 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.28 3.91 0.00 2.07 1.95 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 N 8.33 4.24 0.00 2.83 2.77 0.00 0.00 6.64 8.51 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 0.00 128 V 7.67 3.09 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 0.68 0.00 0.00 0.07 0.00 0.00 129 M 8.37 4.15 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.84 0.00 130 G 8.37 3.60 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 0.00 131 I 7.82 3.73 2.05 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 1.56 0.64 1.08 0.00 0.00 132 I 7.82 3.64 1.98 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 1.54 0.87 0.82 0.00 0.00 133 I 8.10 3.49 1.83 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 1.49 0.80 0.87 0.00 0.00 134 A 8.11 3.93 1.35 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 0.00 0.00 135 D 8.06 4.22 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.86 0.00 1.44 1.15 -0.21 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.33 3.79 0.00 1.97 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 2.30 2.29 0.00 138 A 8.12 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.43 0.00 2.94 2.94 0.00 0.00 7.06 7.37 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 0.00 140 Y 8.74 4.17 0.00 3.20 3.33 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 0.00 141 K 8.31 4.37 0.00 1.92 2.00 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.39 7.81 142 E 8.15 4.01 0.00 2.22 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 2.37 2.64 0.00 143 L 7.58 4.45 0.00 1.98 1.98 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.26 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 0.00 0.00 0.00 145 F 8.42 4.69 0.00 3.33 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 0.00 146 S 7.54 4.74 0.00 3.83 3.70 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 0.00 147 G 8.50 3.92 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.