NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2513 8.5445 116.7535 55.0919 31.6593 175.1833 9 S 4.1425 8.4469 113.5268 59.3778 62.8218 173.3406 10 I 3.9585 8.6252 120.9222 67.0324 35.9022 177.3126 11 N 4.8811 8.2827 120.6222 56.5495 37.5364 178.2853 12 Q 4.8638 8.6728 122.8773 58.6423 30.4645 183.7385 13 K 4.3745 7.8274 125.1365 60.5920 31.9494 184.6394 14 L 4.3923 8.6042 122.3543 58.4449 40.5801 181.4138 15 A 4.3677 7.9845 120.6784 56.0674 18.8032 179.8248 16 L 4.1812 7.5706 120.7311 60.1263 40.5651 183.2460 17 V 3.9573 7.8420 122.9322 66.7095 31.1625 180.2776 18 I 4.5049 7.3811 120.6677 62.7703 35.8205 179.2048 19 K 4.7635 8.4237 125.5264 55.7516 34.5522 179.5982 20 S 4.7680 7.2669 112.0017 57.9788 65.8047 178.0822 21 G 4.3985 8.2365 108.4139 48.0013 0.0000 175.0533 22 K 4.4049 8.1637 118.5931 53.0196 32.8997 170.0564 *23 Y 4.3761 8.2728 124.3956 57.2640 37.2734 176.8049 24 T 3.8592 8.8812 121.1363 62.1973 68.8698 171.3818 25 L 3.4530 7.9884 118.9149 55.8514 38.0522 175.4044 26 G 3.9937 7.7890 113.8701 48.1130 0.0000 171.6782 *27 Y 5.4674 7.9446 131.3198 57.4382 37.7962 169.4614 28 K 4.6064 7.2597 122.6029 59.7426 34.4013 184.2569 29 S 4.5703 8.0343 121.0750 62.8996 62.2152 179.3520 30 T 4.1473 8.0690 118.4336 67.6112 68.4162 182.8369 31 V 3.9244 7.9071 124.6127 66.6625 31.4505 180.7437 32 K 4.2237 8.5882 126.8587 60.5150 31.4115 182.0675 33 S 4.3431 8.3349 122.0471 64.1600 62.4309 179.1281 34 L 4.4142 8.2957 129.6238 59.1222 40.3904 181.6085 35 R 4.1899 8.6262 124.9488 62.2900 29.6551 181.2731 36 Q 4.5448 7.9087 120.6231 60.0069 28.7843 180.4531 37 G 4.4067 8.0241 116.7617 46.3554 0.0000 172.2609 38 K 4.2780 8.2133 130.0014 55.7446 38.5028 174.5243 39 S 4.1536 7.9257 117.5517 59.2236 61.3529 178.5534 40 K 4.1832 8.6522 131.1730 56.6794 32.3552 175.6496 41 L 5.5755 7.2208 123.7736 54.8591 42.0876 178.7118 42 I 4.2182 7.9320 113.4684 62.8851 39.3454 170.6207 43 I 4.4063 8.5132 133.3860 59.0055 35.1286 170.4971 44 I 4.6277 7.8238 126.7982 58.1441 36.6041 174.4974 45 A 4.3949 8.5768 129.7380 51.0372 19.2405 178.2745 46 A 3.7613 8.2537 125.1110 56.1635 18.7825 179.7693 47 N 4.2834 8.5968 113.8888 56.3390 37.4639 177.4089 48 T 3.8404 7.2624 114.2695 60.8184 68.2915 174.2277 49 P 4.2794 0.0000 0.0000 61.6737 30.9205 173.3685 50 V 3.2636 7.8967 114.0864 65.0799 32.4884 179.4332 51 L 3.9523 8.3983 120.4865 58.4080 41.7370 181.8851 52 R 4.4375 7.4526 118.9031 54.8951 27.5562 178.3358 53 K 4.5971 7.4352 135.0000 55.2757 35.1519 179.7158 54 S 4.4341 8.0210 122.5538 63.3791 62.3441 178.9043 55 E 4.2938 8.6301 124.7603 61.5574 29.5929 180.9213 56 L 4.1976 8.4450 124.4410 61.1256 40.6597 181.9741 57 E 3.9922 9.0042 118.9265 62.0377 29.9121 181.6510 *58 Y 4.3179 8.7922 123.0762 63.0248 37.1929 181.2625 *59 Y 4.1894 8.1066 122.1429 62.1404 36.7688 180.6374 60 A 4.5329 7.7271 123.6971 54.6791 19.1257 179.8203 61 M 4.0380 8.3112 120.5898 59.5288 31.3496 182.5641 62 L 4.5481 7.6878 122.5799 58.5027 41.7916 184.7285 63 S 4.5120 8.2350 115.5569 58.7358 60.9111 179.4993 64 K 4.4458 5.6600 117.7355 55.0747 34.9125 176.5697 65 T 4.4377 7.9115 118.0402 60.8904 72.3443 172.1021 66 K 4.6289 8.1142 128.8163 54.3711 34.3751 177.0616 67 V 4.1982 8.2937 124.0960 60.1922 34.6852 175.3830 *68 Y 4.3538 8.4146 127.9597 56.0033 35.8144 171.2809 *69 Y 3.9858 8.0352 126.2972 56.5364 38.1683 176.4187 *70 F 4.3474 8.8244 125.7694 56.1404 39.4070 173.8906 71 Q 4.3727 8.5862 115.4307 58.4679 29.0189 172.0207 72 G 3.9812 7.5051 111.5046 44.3470 0.0000 175.7578 73 G 3.9926 9.0322 116.5013 46.6376 0.0000 174.0155 74 N 4.3769 9.0884 126.8078 58.2756 37.7749 176.0332 75 N 4.5905 8.3813 122.5804 57.5547 37.6609 178.3908 76 E 4.6865 7.9469 119.1944 60.7387 30.6601 183.0669 77 L 4.3435 7.9022 122.1889 58.3997 41.2043 181.1441 78 G 4.0917 7.9278 106.0883 49.0009 0.0000 176.5177 79 T 4.1367 8.0270 116.9310 65.9624 67.9203 176.9800 80 A 4.2169 8.1076 123.8120 55.8985 18.8754 180.1965 81 V 3.9290 7.8711 113.6643 60.6791 32.1726 179.1086 82 G 3.6624 7.0460 114.5152 45.7220 0.0000 180.5229 83 K 4.1438 7.6093 121.4678 54.1966 34.7180 178.0516 84 L 4.1718 8.2156 121.8668 54.6065 40.8260 177.3206 *85 F 4.1178 8.0113 117.6818 57.5000 38.0659 178.2941 86 R 4.2917 8.6540 133.3913 55.7669 29.4756 173.3854 87 V 3.9274 8.7120 119.8084 61.3112 33.2059 178.0212 88 G 4.2143 7.4566 103.6175 45.7112 0.0000 176.2321 89 V 5.1339 7.2289 124.9847 61.7888 33.9086 173.5341 90 V 4.0653 7.7244 128.0459 61.4634 33.5945 179.0286 91 S 4.7487 7.9903 117.5876 58.9512 61.9640 174.8640 92 I 3.6881 7.6252 124.5483 61.5624 35.8299 179.3762 93 L 4.6247 8.7660 132.5423 55.1272 42.7556 173.7343 94 E 4.9096 7.9858 114.3235 54.1936 34.3681 178.7234 95 A 4.3554 8.4667 121.5279 53.1251 19.9839 176.2602 96 G 3.9690 8.2401 108.9647 46.5909 0.0000 174.3009 97 D 4.9079 8.7864 120.8714 53.9700 40.6571 173.2099 98 S 4.8434 8.0450 117.6686 57.8699 66.7711 177.2424 99 D 4.8713 8.2319 119.8450 54.2125 38.4547 177.6988 100 I 3.9768 7.5593 120.1297 62.0795 36.3023 179.0717 101 L 4.6023 7.8730 120.0609 56.2613 41.2279 183.1608 102 T 4.9924 8.0685 111.2571 61.6623 70.3583 181.1864 103 T 4.0343 8.4918 119.5174 64.7188 68.4771 177.6904 104 L 4.8324 7.4302 121.6973 52.0746 43.8623 178.0888 105 A 4.2361 8.4391 117.5787 54.4040 18.3471 177.7326 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 8 E 8.54 4.25 0.00 2.01 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 2.13 1.88 0.00 9 S 8.45 4.14 0.00 3.72 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 10 I 8.63 3.96 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 1.50 0.54 0.91 0.00 0.00 11 N 8.28 4.88 0.00 2.81 2.76 0.00 0.00 6.33 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 12 Q 8.67 4.86 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 13 K 7.83 4.37 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.06 7.81 14 L 8.60 4.39 0.00 1.59 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.98 4.37 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 16 L 7.57 4.18 0.00 1.74 1.68 0.92 0.90 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 17 V 7.84 3.96 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 18 I 7.38 4.50 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 1.38 1.11 0.91 0.00 0.00 19 K 8.42 4.76 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.21 7.81 20 S 7.27 4.77 0.00 3.58 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.24 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 22 K 8.16 4.40 0.00 1.62 1.65 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 0.98 7.81 *23 Y 8.27 4.38 0.00 2.32 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 0.00 0.00 0.00 0.00 24 T 8.88 3.86 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 25 L 7.99 3.45 0.00 1.74 1.54 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.79 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 *27 Y 7.94 5.47 0.00 2.41 2.24 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 28 K 7.26 4.61 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.02 7.81 29 S 8.03 4.57 0.00 3.73 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 30 T 8.07 4.15 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 31 V 7.91 3.92 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 32 K 8.59 4.22 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.33 7.81 33 S 8.33 4.34 0.00 3.75 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 34 L 8.30 4.41 0.00 1.65 1.62 0.92 0.87 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 35 R 8.63 4.19 0.00 1.88 1.90 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 36 Q 7.91 4.54 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.19 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 37 G 8.02 4.41 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 0.00 38 K 8.21 4.28 0.00 1.73 1.65 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.19 0.93 7.81 39 S 7.93 4.15 0.00 3.57 3.76 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 40 K 8.65 4.18 0.00 1.63 1.81 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.25 7.81 41 L 7.22 5.58 0.00 1.65 1.48 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.93 4.22 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 1.20 0.29 0.91 0.00 0.00 43 I 8.51 4.41 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 1.09 0.59 0.91 0.00 0.00 44 I 7.82 4.63 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 1.28 0.60 0.91 0.00 0.00 45 A 8.58 4.39 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 46 A 8.25 3.76 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 47 N 8.60 4.28 0.00 2.75 2.78 0.00 0.00 6.50 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 48 T 7.26 3.84 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 49 P 0.00 4.28 0.00 1.98 2.00 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.63 0.00 50 V 7.90 3.26 2.08 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 0.67 0.00 0.00 0.93 0.00 0.00 51 L 8.40 3.95 0.00 1.56 1.74 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.45 4.44 0.00 1.65 1.80 0.00 3.32 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 53 K 7.44 4.60 0.00 1.66 1.79 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.19 0.79 7.81 54 S 8.02 4.43 0.00 3.71 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 55 E 8.63 4.29 0.00 1.96 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 2.24 2.19 0.00 56 L 8.44 4.20 0.00 1.64 1.68 0.92 0.92 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 57 E 9.00 3.99 0.00 1.93 1.92 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 2.25 2.25 0.00 *58 Y 8.79 4.32 0.00 2.29 2.38 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 *59 Y 8.11 4.19 0.00 2.29 2.35 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 60 A 7.73 4.53 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 61 M 8.31 4.04 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 62 L 7.69 4.55 0.00 1.78 1.60 0.92 0.80 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 63 S 8.23 4.51 0.00 3.66 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 64 K 5.66 4.45 0.00 1.80 1.58 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.18 1.13 7.81 65 T 7.91 4.44 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 66 K 8.11 4.63 0.00 1.48 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.25 7.81 67 V 8.29 4.20 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 *68 Y 8.41 4.35 0.00 2.12 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 0.00 0.00 0.00 0.00 *69 Y 8.04 3.99 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 F 8.82 4.35 0.00 2.28 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 0.00 0.00 0.00 0.00 71 Q 8.59 4.37 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 72 G 7.51 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.03 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 74 N 9.09 4.38 0.00 2.74 2.83 0.00 0.00 6.99 6.91 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 75 N 8.38 4.59 0.00 2.81 2.80 0.00 0.00 6.45 7.66 0.00 0.00 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 E 7.95 4.69 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 77 L 7.90 4.34 0.00 1.71 1.64 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.93 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.03 4.14 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 80 A 8.11 4.22 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 V 7.87 3.93 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 82 G 7.05 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.61 4.14 0.00 1.85 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.04 7.81 84 L 8.22 4.17 0.00 1.71 2.03 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 *85 F 8.01 4.12 0.00 2.20 2.24 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 86 R 8.65 4.29 0.00 1.82 1.85 0.00 3.24 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 87 V 8.71 3.93 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 88 G 7.46 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 0.00 0.00 0.00 0.00 89 V 7.23 5.13 2.08 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 0.66 0.00 0.00 0.93 0.00 0.00 90 V 7.72 4.07 2.08 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 0.61 0.00 0.00 0.93 0.00 0.00 91 S 7.99 4.75 0.00 3.32 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 92 I 7.63 3.69 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 1.20 0.53 0.91 0.00 0.00 93 L 8.77 4.62 0.00 1.43 1.59 0.92 0.59 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 94 E 7.99 4.91 0.00 1.60 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 2.19 1.84 0.00 95 A 8.47 4.36 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 96 G 8.24 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 97 D 8.79 4.91 0.00 2.69 2.53 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 98 S 8.05 4.84 0.00 3.57 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 99 D 8.23 4.87 0.00 2.58 2.60 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 0.00 100 I 7.56 3.98 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 1.27 1.10 0.91 0.00 0.00 101 L 7.87 4.60 0.00 1.65 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.07 4.99 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 0.00 103 T 8.49 4.03 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 0.00 104 L 7.43 4.83 0.00 1.54 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.44 4.24 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 * Residues marked with a * may have inaccurate shift predictions.