NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9301 8.3544 109.7360 45.8864 0.0000 172.8740 0 S 4.2430 8.2879 112.3190 57.1516 65.0414 172.2773 *1 M 4.6812 8.8438 126.9127 53.1912 34.7989 171.7483 *2 D 4.7636 8.7263 124.9365 52.3327 41.3863 175.4968 *3 F 4.8739 8.1988 122.5490 52.8623 38.4259 170.9629 4 P 4.4847 0.0000 0.0000 65.9592 31.4383 179.2238 5 Q 4.0899 8.1154 120.2073 60.0484 27.9560 182.7793 6 H 4.4897 8.4514 117.8723 59.5271 29.7772 177.2758 7 S 4.0024 7.8375 117.3893 61.9508 62.8410 176.6246 8 Q 4.0045 8.1177 119.8274 59.3322 28.4776 178.6566 9 H 4.2415 7.9394 119.1822 59.0271 29.8867 177.5990 10 V 3.3495 7.4860 120.0923 65.9302 31.3906 177.8802 11 L 3.9130 7.8120 120.1314 57.9844 41.9182 178.5105 12 E 3.9631 8.0590 118.4534 59.8111 29.4456 179.5172 13 Q 4.0763 8.0363 117.5252 58.6847 28.7723 178.6463 14 L 4.0322 8.0386 120.3819 57.7311 41.6475 179.0037 15 N 4.2258 8.6025 117.2879 56.4896 38.9528 176.6431 16 Q 3.9639 8.2196 121.1135 59.3350 29.1054 178.4883 17 Q 3.9918 8.2758 118.9990 58.9335 28.4897 178.6827 18 R 3.7583 7.8849 119.6495 59.3459 29.8065 178.2561 19 Q 3.9453 7.7954 118.1761 58.9487 29.1828 177.5038 20 L 4.4286 7.6211 116.3309 53.7256 42.4235 176.3937 21 G 3.7437 7.8156 106.2837 46.9990 0.0000 174.2216 22 L 4.6074 8.1734 118.9011 53.6046 44.3584 177.4724 23 L 3.7474 8.7181 121.2660 55.6962 39.3725 173.9522 24 C 4.3351 7.5634 115.6581 59.5996 28.4875 173.1847 25 D 5.0771 8.5925 121.9353 53.0738 40.5404 174.4356 26 C 4.8854 8.1508 113.6819 57.4924 34.0690 172.4428 27 T 5.1482 8.4076 112.7607 60.3344 69.5917 172.4674 28 F 4.7016 9.5408 132.2696 57.3695 41.0348 174.1908 29 V 4.9816 8.0825 126.0589 61.2235 33.3961 174.9211 30 V 4.4144 8.6510 127.4212 61.9979 33.1883 174.7768 31 D 4.3482 10.3481 128.5126 55.3940 38.6612 175.4032 32 G 4.0407 8.4100 109.1630 45.3273 0.0000 174.9998 33 V 3.8753 7.5476 120.0808 62.7151 32.2421 174.1580 34 H 5.1965 8.6244 123.9580 54.9549 29.7493 174.4334 35 F 4.8858 9.3047 122.3791 55.4520 41.8281 175.0754 36 K 4.7926 8.8159 122.6246 56.4865 33.1584 175.8687 37 A 4.6211 8.8091 124.4335 51.4225 23.9041 174.1627 38 H 5.0607 9.2601 116.4263 54.7271 29.9971 176.8542 39 K 3.1791 9.4847 124.2179 59.5810 31.8917 179.0659 40 A 3.9543 7.8724 120.0393 55.1252 18.1712 179.6358 41 V 3.3617 7.6659 116.0956 66.1046 31.6329 178.0832 42 L 3.9410 7.8584 118.3707 57.8473 41.2619 179.4185 43 A 4.3386 8.3768 119.6416 55.2004 18.3658 179.2688 44 A 4.1092 7.8708 118.6731 55.0198 18.5055 178.9277 45 C 4.5009 7.6995 114.0518 60.0887 29.0558 174.2299 46 S 4.7731 8.0222 115.1787 55.4548 65.1670 174.1928 47 E 3.9627 9.0403 128.1314 59.3221 29.3373 178.1007 48 Y 3.8489 7.9056 119.2467 60.7305 38.9385 178.1136 49 F 3.7778 7.9250 118.3840 60.0802 38.5288 177.3413 50 K 3.9935 8.4929 119.7990 60.1180 31.9530 178.4315 51 M 4.0154 8.1395 118.3037 58.4658 31.8948 177.9053 52 L 3.6688 7.2946 119.7158 57.7584 42.1680 178.4710 53 F 4.6614 7.4774 116.2068 59.7257 39.0724 177.8501 54 V 4.0008 7.3532 116.7470 64.3445 31.9727 176.6514 55 D 4.6234 8.2371 123.7219 52.1884 41.6217 175.3307 56 Q 4.0088 8.4909 123.8297 58.5564 28.9384 179.8019 57 K 4.1749 8.0880 117.0877 58.2649 32.2479 177.0130 58 D 4.9223 7.6187 117.0066 52.7690 39.6400 175.7337 59 V 4.3163 7.0478 118.0767 61.1979 33.3832 175.4189 60 V 3.4579 8.2543 124.4709 62.6403 31.7591 176.8740 61 H 4.6905 8.4251 121.7600 54.4151 27.0931 173.4886 62 L 4.5164 7.5551 120.2192 52.7240 44.4343 175.2729 63 D 4.4687 8.7583 126.7089 54.1089 41.0382 175.2229 64 I 4.1027 8.0707 119.5653 60.4432 38.2233 177.1148 65 S 4.1756 8.0905 118.2050 61.6287 62.0783 175.3371 66 N 4.7324 7.8816 113.5663 52.4828 39.0627 174.8685 67 A 3.8257 7.6542 122.8215 52.2207 18.8239 177.1643 68 A 4.0432 8.3720 126.3239 53.5340 19.2784 177.7256 69 G 4.0172 8.9374 111.3782 45.2210 0.0000 175.3046 70 L 4.0846 7.7726 121.7270 57.9031 42.1995 178.5722 71 G 3.7842 8.1692 104.1840 46.4752 0.0000 173.8531 72 Q 4.4048 7.9485 120.7430 56.6701 30.0190 177.8008 73 V 3.7416 7.7408 119.6098 65.7766 31.3245 177.5255 74 L 3.5268 7.4680 119.4415 58.2300 41.7025 178.3993 75 E 3.9962 8.0561 117.8400 59.5196 29.3057 179.1436 76 F 4.2900 7.7848 120.4693 61.1151 39.2897 176.8692 77 M 3.8494 7.9854 117.0346 58.6731 31.8351 177.8390 78 Y 4.2158 7.5411 113.9156 59.2841 38.4686 176.4678 79 T 4.3233 7.1430 106.4571 59.7478 70.3762 174.8693 80 A 2.8735 8.2199 122.9996 51.7749 17.1674 177.8938 81 K 4.2297 7.7750 116.9054 56.4606 32.7089 176.2202 82 L 4.6337 8.2605 123.2929 54.4342 45.0893 175.9597 83 S 4.6932 8.2060 123.1116 56.9465 62.0113 173.5421 84 L 4.5687 7.7169 122.5717 54.2350 43.1073 176.6479 85 S 4.6673 9.6533 114.7515 55.4713 66.0607 173.7155 86 P 4.1898 0.0000 0.0000 66.2877 31.1710 178.4343 87 E 4.1629 7.6583 116.5972 58.1376 29.7387 177.8845 88 N 4.9136 8.3900 114.9599 52.1462 38.4083 176.3315 89 V 3.5422 7.7756 121.3122 66.6897 31.4568 177.3307 90 D 4.5042 7.9651 117.8008 57.2021 40.7588 178.3685 91 D 4.3204 7.9650 119.1955 57.0882 40.8744 178.7618 92 V 3.4836 7.6801 118.6365 65.8127 31.5417 177.5602 93 L 3.8291 8.2761 120.2050 58.2178 42.0108 178.5945 94 A 3.9859 8.2422 121.0369 55.4165 18.3389 180.0805 95 V 3.5924 7.8086 117.2628 64.7768 31.4757 178.4131 96 A 4.0201 8.6422 121.8196 55.0679 18.0459 179.7509 97 T 3.7701 8.3169 114.7496 66.8222 68.3934 176.3065 98 F 3.9791 7.7699 120.7127 61.5700 39.4345 176.6924 99 L 4.0722 8.0117 115.0172 54.4372 42.1093 176.5220 100 Q 3.4802 8.0878 117.3277 57.7177 26.5710 175.4723 101 M 4.4894 8.0769 119.4441 53.6052 32.4519 175.8744 102 Q 4.0471 8.4593 124.3832 58.7553 29.2066 178.1843 103 D 4.4145 8.1259 119.6495 56.7943 39.4245 178.7012 104 I 3.4768 7.4867 120.8148 63.5637 37.1342 178.2096 105 I 3.6423 7.6606 120.8222 64.7526 36.9580 178.5918 106 T 3.9182 8.1473 116.3298 66.3925 68.2329 176.5524 107 A 3.9654 7.8575 122.3158 55.3902 18.4364 179.3024 108 C 3.9520 8.0733 115.1303 63.5385 28.1385 176.1418 109 H 4.1597 8.2663 117.2932 58.8779 28.0001 177.7929 110 A 4.0074 7.8056 121.7750 55.0504 18.3533 179.1586 111 L 4.0548 7.9602 118.9600 58.2085 41.9582 179.3426 112 K 4.0325 8.0691 117.4529 59.2141 31.9856 179.2103 113 S 4.5298 7.6248 114.7245 60.1486 62.9470 174.1144 114 L 4.0329 7.4931 120.5667 55.4644 40.3987 176.9416 115 A 4.1060 8.1682 125.6222 52.8156 18.9205 175.9386 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 -1 G 8.35 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 0 S 8.29 4.24 0.00 3.88 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 *1 M 8.84 4.68 0.00 2.04 1.79 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 2.41 2.06 0.00 *2 D 8.73 4.76 0.00 2.69 2.48 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 0.00 0.00 0.00 0.00 *3 F 8.20 4.87 0.00 2.15 2.17 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 4 P 0.00 4.48 0.00 2.26 2.35 0.00 3.67 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 2.08 2.03 0.00 5 Q 8.12 4.09 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 6 H 8.45 4.49 0.00 3.27 3.53 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.84 4.00 0.00 3.88 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 8 Q 8.12 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 9 H 7.94 4.24 0.00 3.13 3.36 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.49 3.35 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 0.84 0.00 0.00 0.69 0.00 0.00 11 L 7.81 3.91 0.00 1.73 1.58 0.78 0.93 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 12 E 8.06 3.96 0.00 2.22 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 2.33 2.41 0.00 13 Q 8.04 4.08 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 14 L 8.04 4.03 0.00 1.91 1.85 0.82 0.24 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 15 N 8.60 4.23 0.00 3.09 2.97 0.00 0.00 6.81 6.50 0.00 0.00 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 Q 8.22 3.96 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 17 Q 8.28 3.99 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 18 R 7.88 3.76 0.00 1.51 1.75 0.00 2.76 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 19 Q 7.80 3.95 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 20 L 7.62 4.43 0.00 1.68 1.67 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.82 3.74 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 0.00 0.00 0.00 22 L 8.17 4.61 0.00 1.86 1.56 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.72 3.75 0.00 2.01 1.78 0.96 0.98 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 24 C 7.56 4.34 0.00 2.95 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 25 D 8.59 5.08 0.00 2.58 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 26 C 8.15 4.89 0.00 3.09 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 27 T 8.41 5.15 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 1.25 0.00 0.00 28 F 9.54 4.70 0.00 3.15 2.93 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 29 V 8.08 4.98 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 0.88 0.00 0.00 0.91 0.00 0.00 30 V 8.65 4.41 2.34 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 1.05 0.00 0.00 1.28 0.00 0.00 31 D 10.35 4.35 0.00 2.92 2.80 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 32 G 8.41 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 0.00 0.00 0.00 33 V 7.55 3.88 2.46 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 0.63 0.00 0.00 1.05 0.00 0.00 34 H 8.62 5.20 0.00 2.99 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.30 4.89 0.00 3.23 2.95 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 36 K 8.82 4.79 0.00 1.63 1.71 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.38 7.81 37 A 8.81 4.62 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 38 H 9.26 5.06 0.00 3.18 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 9.48 3.18 0.00 1.41 1.30 0.00 1.40 0.00 0.00 1.22 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.89 7.81 40 A 7.87 3.95 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 41 V 7.67 3.36 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 0.27 0.00 0.00 0.73 0.00 0.00 42 L 7.86 3.94 0.00 2.11 1.62 0.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.38 4.34 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 0.00 0.00 0.00 0.00 0.00 44 A 7.87 4.11 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 45 C 7.70 4.50 0.00 3.00 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 46 S 8.02 4.77 0.00 4.11 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 0.00 47 E 9.04 3.96 0.00 2.13 1.93 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 2.35 2.40 0.00 48 Y 7.91 3.85 0.00 2.73 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 49 F 7.92 3.78 0.00 3.50 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 50 K 8.49 3.99 0.00 2.18 2.03 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 51 M 8.14 4.02 0.00 1.96 2.13 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 2.51 2.51 0.00 52 L 7.29 3.67 0.00 0.98 1.06 0.66 0.32 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 53 F 7.48 4.66 0.00 3.14 3.03 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 54 V 7.35 4.00 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 0.80 0.00 0.00 1.04 0.00 0.00 55 D 8.24 4.62 0.00 2.67 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 56 Q 8.49 4.01 0.00 2.25 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 57 K 8.09 4.17 0.00 1.78 1.94 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 58 D 7.62 4.92 0.00 2.74 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 59 V 7.05 4.32 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 0.81 0.00 0.00 0.85 0.00 0.00 60 V 8.25 3.46 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 0.96 0.00 0.00 0.98 0.00 0.00 61 H 8.43 4.69 0.00 3.19 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.56 4.52 0.00 1.59 1.50 0.64 1.13 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 63 D 8.76 4.47 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 4.10 1.55 0.00 0.00 0.59 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 0.41 0.20 0.00 0.00 65 S 8.09 4.18 0.00 3.94 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 66 N 7.88 4.73 0.00 2.71 2.81 0.00 0.00 6.83 7.35 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 67 A 7.65 3.83 1.19 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 0.00 0.00 68 A 8.37 4.04 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 69 G 8.94 4.02 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 0.00 70 L 7.77 4.08 0.00 1.71 1.73 1.11 1.07 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 G 8.17 3.78 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 0.00 0.00 0.00 72 Q 7.95 4.40 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 73 V 7.74 3.74 2.47 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 1.20 0.00 0.00 1.04 0.00 0.00 74 L 7.47 3.53 0.00 0.39 1.10 0.53 0.66 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 75 E 8.06 4.00 0.00 1.98 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 2.32 2.30 0.00 76 F 7.78 4.29 0.00 3.29 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 77 M 7.99 3.85 0.00 1.83 2.23 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.71 0.00 78 Y 7.54 4.22 0.00 2.90 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 79 T 7.14 4.32 4.22 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 0.00 0.00 0.00 1.22 0.00 0.00 80 A 8.22 2.87 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 81 K 7.78 4.23 0.00 1.84 1.77 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.52 7.81 82 L 8.26 4.63 0.00 1.75 1.58 0.88 0.80 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 83 S 8.21 4.69 0.00 4.11 3.79 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 84 L 7.72 4.57 0.00 1.63 1.58 0.90 0.87 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 85 S 9.65 4.67 0.00 3.91 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 86 P 0.00 4.19 0.00 2.05 2.18 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 87 E 7.66 4.16 0.00 2.11 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 2.34 2.35 0.00 88 N 8.39 4.91 0.00 2.82 3.00 0.00 0.00 6.47 7.49 0.00 0.00 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 7.78 3.54 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 0.99 0.00 0.00 1.01 0.00 0.00 90 D 7.97 4.50 0.00 2.71 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 91 D 7.97 4.32 0.00 2.80 2.77 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 92 V 7.68 3.48 2.18 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 0.92 0.00 0.00 0.99 0.00 0.00 93 L 8.28 3.83 0.00 1.86 1.74 0.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.24 3.99 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 95 V 7.81 3.59 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 0.91 0.00 0.00 0.86 0.00 0.00 96 A 8.64 4.02 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 97 T 8.32 3.77 4.45 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 0.00 0.00 0.00 1.22 0.00 0.00 98 F 7.77 3.98 0.00 2.93 3.12 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 99 L 8.01 4.07 0.00 1.74 1.82 1.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.09 3.48 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 101 M 8.08 4.49 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 102 Q 8.46 4.05 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 103 D 8.13 4.41 0.00 3.24 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 0.00 104 I 7.49 3.48 1.62 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.27 0.66 0.00 0.00 105 I 7.66 3.64 2.01 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 0.74 0.97 0.00 0.00 106 T 8.15 3.92 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 1.24 0.00 0.00 107 A 7.86 3.97 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 0.00 108 C 8.07 3.95 0.00 3.04 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 0.00 109 H 8.27 4.16 0.00 3.38 3.35 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 0.00 110 A 7.81 4.01 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 0.00 111 L 7.96 4.05 0.00 1.79 1.66 0.92 0.60 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 0.00 112 K 8.07 4.03 0.00 2.00 1.87 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.56 7.81 113 S 7.62 4.53 0.00 4.00 3.94 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 0.00 0.00 0.00 114 L 7.49 4.03 0.00 1.76 1.67 0.96 0.71 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 0.00 115 A 8.17 4.11 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 * Residues marked with a * may have inaccurate shift predictions.