NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1791 8.1727 122.0585 56.3621 34.0135 174.1004 2 V 4.4750 8.3686 128.1321 61.0288 31.5700 174.6305 3 F 4.1947 9.8035 128.0980 57.2513 40.1563 175.6001 4 G 3.8267 8.5117 108.8779 45.9339 0.0000 174.5353 5 R 3.3733 8.9642 121.8665 59.6677 29.8696 178.3860 6 C 4.2528 7.9235 115.0240 61.7978 28.5568 175.4861 7 E 3.9686 8.0821 120.6743 59.1760 29.2396 178.3744 8 L 3.4303 8.4009 120.4679 57.8854 42.0355 178.5561 9 A 3.9019 7.8604 120.3295 55.2592 18.3547 179.1843 10 A 3.9119 8.2984 119.1654 55.4513 18.5371 179.7470 11 A 3.9440 7.9259 118.9345 55.6837 18.6168 179.7951 12 M 3.8749 8.1604 117.4882 58.0957 31.8528 178.9263 13 K 3.8632 8.1671 120.1042 59.5698 32.2615 179.0602 14 R 3.8796 7.7363 114.7288 59.2005 29.0804 177.2199 15 H 4.6612 7.6929 114.8416 54.7748 29.0465 175.0956 16 G 3.8707 7.8650 108.0884 46.8260 0.0000 175.4857 17 L 3.6698 7.4148 120.3696 55.1860 42.1977 176.3772 18 D 4.4714 7.8756 117.9772 55.2969 41.0941 174.7233 19 N 4.5038 10.1758 125.3674 54.1835 38.3826 172.7585 20 Y 4.2642 8.1459 118.6204 58.6804 38.9441 176.1985 21 R 3.6342 9.2258 124.4216 57.0752 27.9486 176.6792 22 G 3.7713 8.3695 103.6683 45.9103 0.0000 173.1382 23 Y 4.6988 7.9309 117.6964 55.6424 39.5590 176.1322 24 S 4.9225 8.6407 119.4538 57.5609 64.6308 174.6003 25 L 4.3490 9.0335 123.5806 58.8864 41.5653 179.7409 26 G 3.9046 8.4049 104.8422 47.8467 0.0000 175.3156 27 N 4.4724 8.3184 118.7147 56.0610 38.4995 177.5001 28 W 3.6902 7.7681 119.7142 59.5952 29.1950 178.3604 29 V 3.5186 7.9960 117.7570 66.5372 30.6866 178.3162 30 C 2.8649 8.1043 117.5754 59.0927 41.9127 175.4131 31 A 3.9133 8.0163 122.1614 55.1250 17.8576 179.3624 32 A 4.1618 7.8484 120.6642 54.4268 18.3370 179.5902 33 K 2.8359 7.7615 117.9825 59.6634 31.9368 179.0424 34 F 4.1907 7.3147 115.8333 59.8787 38.9135 177.7517 35 E 4.2782 8.4314 118.5590 58.8192 29.8840 177.9526 36 S 4.5537 8.1303 109.9138 56.5449 64.4648 173.2678 37 N 3.8096 8.7947 118.4451 54.7877 37.7829 174.3934 38 F 4.1011 8.0187 110.9947 57.7314 36.7647 174.1797 39 N 5.2575 8.0048 120.9915 52.4918 38.7161 175.6433 40 T 3.9827 9.0941 118.2902 64.2228 69.7091 175.4760 41 Q 4.5595 8.1519 118.9967 55.4840 29.6127 175.9210 42 A 4.2407 7.8661 123.0522 52.7490 19.4026 177.5324 43 T 4.9414 8.2814 117.1024 62.1639 73.2348 173.3121 44 N 4.7706 8.3910 122.9398 52.4431 42.5658 173.5479 45 R 4.3806 8.6533 126.1743 56.2572 30.8753 176.1005 46 N 5.0342 9.0816 121.9284 51.7973 40.9716 176.2925 47 T 4.0182 8.5154 109.9943 63.7734 69.2883 175.1097 48 D 4.4713 7.9898 120.2732 53.6725 39.8246 177.0604 49 G 3.8946 7.9523 109.3456 45.0609 0.0000 173.7265 50 S 4.6849 8.2587 115.2498 57.8166 65.7183 173.0156 51 T 4.9888 8.5401 114.7742 62.0161 73.0549 173.0759 52 D 5.3445 8.8192 124.5312 53.2383 43.3208 175.1976 53 Y 5.0198 9.2030 120.1089 57.6922 42.2488 176.6925 54 G 4.1651 9.3758 110.5532 45.5458 0.0000 173.7127 55 I 4.3431 8.2399 109.7681 62.6546 37.6751 177.1814 56 L 4.5746 7.9000 118.3301 53.4694 42.5847 176.2891 57 Q 3.4782 7.8163 116.3548 57.1147 26.7516 174.4402 58 I 4.1028 8.0264 118.9865 61.3728 39.1799 176.4775 59 N 5.5300 9.1204 125.4656 52.2642 40.2569 175.4924 60 S 4.9546 9.4681 121.1277 60.0810 63.1891 175.5585 61 R 3.7287 8.5534 122.5495 59.1465 30.2661 178.1954 62 W 4.1342 8.2763 117.4527 57.5369 30.5113 177.5236 63 W 4.9285 8.3444 117.2647 57.7474 30.8614 173.9946 64 C 5.6416 8.2831 112.2359 53.5549 46.7721 172.4032 65 N 5.1030 9.0111 119.2073 52.2285 39.6694 174.6892 66 D 4.5748 8.9273 125.2320 52.6110 40.1052 177.4747 67 G 3.9622 8.5136 107.5055 46.2379 0.0000 174.2926 68 R 4.5491 8.2166 112.8316 55.6951 30.2141 175.3236 69 T 4.3811 7.6849 115.9905 61.2071 69.1715 171.3608 70 P 4.3833 0.0000 0.0000 63.7535 31.7197 177.1747 71 G 3.8098 8.8846 111.1044 45.7139 0.0000 173.4543 72 S 4.2619 7.3164 112.9600 58.1077 63.4501 174.6178 73 R 4.0435 8.5731 122.1394 56.3927 30.8218 176.0541 74 N 4.3274 8.1644 115.4100 54.0025 37.3362 175.5836 75 L 4.2588 8.1362 118.2037 57.8967 42.0402 178.3016 76 C 4.5516 8.7693 114.0522 56.8285 40.9491 172.8654 77 N 4.1778 8.5016 117.3018 53.5914 36.1883 174.0509 78 I 4.6707 7.9998 109.7837 58.4994 41.6422 173.2435 79 P 4.7244 0.0000 0.0000 62.6540 32.0282 178.5078 80 C 4.1714 8.6308 119.8890 59.7304 40.2467 176.7237 81 S 3.8390 7.8328 115.2643 61.0263 62.0181 176.1682 82 A 4.0426 7.8421 124.2369 54.7010 17.5513 178.6346 83 L 4.3087 7.8550 115.7920 55.6598 41.7101 177.9260 84 L 5.4654 7.4559 117.5337 53.7474 42.5726 176.8663 85 S 4.3242 7.4886 113.7613 57.7902 62.7687 174.4585 86 S 4.2596 8.7030 120.8923 60.3062 62.9591 173.4307 87 D 4.8149 7.6321 121.7648 52.7698 41.4774 176.4449 88 I 3.9562 8.2888 119.9080 61.7499 37.6443 177.3074 89 T 3.6117 8.3548 119.4958 67.3101 68.3927 175.9102 90 A 3.9493 7.8373 121.6147 55.1583 18.4311 179.6371 91 S 4.0674 7.9258 113.2944 61.7453 62.9471 176.9655 92 V 3.3413 7.7263 120.9238 65.8228 31.2160 177.9410 93 N 4.2225 8.2633 116.5846 56.2330 38.3529 176.6243 94 C 4.2668 8.3091 119.8424 59.3544 43.1279 175.4629 95 A 4.0216 8.1915 122.8247 54.8638 17.9517 179.5403 96 K 3.2964 7.6940 117.0422 59.3949 31.8630 179.2090 97 K 3.9535 7.6040 118.1655 59.7287 32.1849 178.4879 98 I 3.2682 7.2122 118.5694 64.2123 37.3157 178.3237 99 V 4.0721 8.8738 119.3760 65.5028 31.7386 175.9637 100 S 4.2239 7.5815 114.6416 59.7965 59.9329 171.4764 101 D 4.9008 8.9841 130.6400 53.5801 37.6709 177.7666 *104 G 4.0001 8.1357 108.3697 44.8145 0.0000 174.0027 105 M 4.1826 6.9861 120.3923 56.0860 32.4836 178.5244 106 N 4.7336 8.1838 115.6763 55.7911 38.9637 175.9760 107 A 3.8500 7.3861 119.5207 54.4800 18.6001 178.0720 108 W 4.4461 8.0832 116.9609 55.3579 28.6447 177.1517 109 V 3.6634 8.3264 123.9720 65.8736 31.0935 177.2864 110 A 3.9246 8.1260 119.9198 54.9315 18.2168 179.0671 111 W 4.0518 8.4042 126.3830 60.5620 31.0434 177.8179 112 R 3.4483 8.4160 118.4978 59.6832 29.3730 178.3304 113 N 4.1549 8.2297 114.7126 55.1558 38.6381 176.6737 114 R 4.2866 7.9693 117.1628 55.6271 32.2666 175.4894 115 C 4.6862 7.6102 114.6747 58.0133 42.2717 174.3147 116 K 3.6966 5.9242 118.0175 57.1628 31.8686 176.4356 117 G 3.8299 8.6616 113.8089 46.9072 0.0000 172.8769 118 T 4.6591 7.3844 107.6915 58.9387 72.0318 174.6236 119 D 4.7054 8.2221 121.5261 54.1224 39.1848 176.6792 120 V 4.1018 7.9648 117.4181 63.7196 32.5355 178.2655 121 Q 4.3070 8.2326 117.4805 57.3123 29.0973 177.6998 122 A 3.9660 8.1286 121.8981 55.1564 18.3200 179.8528 123 W 3.7833 7.9212 113.4403 59.1437 29.4210 177.0333 124 I 4.4016 7.5364 117.2666 60.9464 37.7767 175.8098 125 R 3.9697 8.6964 122.3233 57.5811 30.1259 176.9817 126 G 3.9233 8.9633 110.2571 45.8488 0.0000 173.0690 127 C 4.3238 7.5043 121.9445 59.8478 28.0533 173.5106 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 K 8.17 4.18 0.00 1.79 1.73 0.00 1.34 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.22 7.81 2 V 8.37 4.48 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 0.93 0.00 0.00 1.03 0.00 0.00 3 F 9.80 4.19 0.00 2.82 2.87 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 4 G 8.51 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 0.00 0.00 0.00 5 R 8.96 3.37 0.00 2.13 2.05 0.00 3.36 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.09 0.00 6 C 7.92 4.25 0.00 3.01 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 7 E 8.08 3.97 0.00 2.08 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 0.00 2.57 2.41 0.00 8 L 8.40 3.43 0.00 1.32 1.24 0.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.86 3.90 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 10 A 8.30 3.91 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 11 A 7.93 3.94 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 12 M 8.16 3.87 0.00 1.90 2.20 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 13 K 8.17 3.86 0.00 1.81 1.93 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 14 R 7.74 3.88 0.00 1.91 2.00 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.42 0.00 15 H 7.69 4.66 0.00 3.02 3.19 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.86 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 17 L 7.41 3.67 0.00 1.44 0.57 0.23 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.88 4.47 0.00 2.66 2.65 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 19 N 10.18 4.50 0.00 3.06 2.94 0.00 0.00 6.44 6.12 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 20 Y 8.15 4.26 0.00 3.20 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 21 R 9.23 3.63 0.00 2.12 2.14 0.00 2.94 0.00 0.00 2.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 22 G 8.37 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 23 Y 7.93 4.70 0.00 3.46 2.65 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 24 S 8.64 4.92 0.00 4.26 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 25 L 9.03 4.35 0.00 2.08 1.86 0.95 1.25 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 26 G 8.40 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 0.00 0.00 0.00 27 N 8.32 4.47 0.00 2.46 2.48 0.00 0.00 6.92 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 28 W 7.77 3.69 0.00 3.44 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 29 V 8.00 3.52 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 1.09 0.00 0.00 0.96 0.00 0.00 30 C 8.10 2.86 0.00 2.29 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 31 A 8.02 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.85 4.16 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 33 K 7.76 2.84 0.00 1.28 1.18 0.00 0.68 0.00 0.00 1.21 0.00 0.00 2.87 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.45 0.21 7.81 34 F 7.31 4.19 0.00 3.00 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 35 E 8.43 4.28 0.00 2.09 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 2.56 2.72 0.00 36 S 8.13 4.55 0.00 4.10 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 0.00 37 N 8.79 3.81 0.00 2.64 2.76 0.00 0.00 7.19 6.54 0.00 0.00 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 F 8.02 4.10 0.00 3.45 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 39 N 8.00 5.26 0.00 2.90 2.90 0.00 0.00 6.94 6.51 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 40 T 9.09 3.98 4.48 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 1.57 0.00 0.00 41 Q 8.15 4.56 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 42 A 7.87 4.24 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 43 T 8.28 4.94 4.25 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 1.15 0.00 0.00 44 N 8.39 4.77 0.00 2.79 2.56 0.00 0.00 7.21 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 45 R 8.65 4.38 0.00 1.71 1.83 0.00 3.40 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 46 N 9.08 5.03 0.00 2.76 2.72 0.00 0.00 6.39 6.61 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 47 T 8.52 4.02 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 48 D 7.99 4.47 0.00 2.77 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 49 G 7.95 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 0.00 0.00 0.00 50 S 8.26 4.68 0.00 3.98 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 51 T 8.54 4.99 4.06 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 0.36 0.00 0.00 52 D 8.82 5.34 0.00 2.49 2.61 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 53 Y 9.20 5.02 0.00 2.89 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 54 G 9.38 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 55 I 8.24 4.34 1.85 0.00 0.00 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 1.39 0.32 1.00 0.00 0.00 56 L 7.90 4.57 0.00 1.73 1.86 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.82 3.48 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 58 I 8.03 4.10 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 1.05 0.00 0.00 59 N 9.12 5.53 0.00 3.12 3.06 0.00 0.00 6.97 7.76 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 60 S 9.47 4.95 0.00 4.10 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 61 R 8.55 3.73 0.00 1.69 1.84 0.00 2.84 0.00 0.00 2.73 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 62 W 8.28 4.13 0.00 2.12 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 0.00 0.00 0.00 63 W 8.34 4.93 0.00 3.54 3.28 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 64 C 8.28 5.64 0.00 3.13 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 65 N 9.01 5.10 0.00 2.85 2.71 0.00 0.00 7.23 8.41 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 66 D 8.93 4.57 0.00 2.81 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 67 G 8.51 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 0.00 0.00 0.00 68 R 8.22 4.55 0.00 1.90 1.96 0.00 3.06 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 69 T 7.68 4.38 4.23 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 1.16 0.00 0.00 70 P 0.00 4.38 0.00 1.99 1.96 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 71 G 8.88 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 72 S 7.32 4.26 0.00 4.14 4.06 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 73 R 8.57 4.04 0.00 1.92 1.98 0.00 3.42 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 74 N 8.16 4.33 0.00 2.92 2.80 0.00 0.00 7.23 6.66 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 75 L 8.14 4.26 0.00 1.83 1.88 0.43 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.77 4.55 0.00 3.26 3.22 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 0.00 77 N 8.50 4.18 0.00 2.82 2.88 0.00 0.00 6.71 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 78 I 8.00 4.67 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.91 0.00 0.00 79 P 0.00 4.72 0.00 2.14 1.96 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 80 C 8.63 4.17 0.00 2.09 1.55 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 81 S 7.83 3.84 0.00 4.00 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 82 A 7.84 4.04 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 83 L 7.86 4.31 0.00 2.03 1.80 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.46 5.47 0.00 1.80 1.75 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.49 4.32 0.00 3.91 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 86 S 8.70 4.26 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.63 4.81 0.00 2.64 2.65 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 88 I 8.29 3.96 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.27 0.59 0.00 0.00 89 T 8.35 3.61 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 90 A 7.84 3.95 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 91 S 7.93 4.07 0.00 3.92 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 92 V 7.73 3.34 1.97 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 0.72 0.00 0.00 0.72 0.00 0.00 93 N 8.26 4.22 0.00 2.70 2.79 0.00 0.00 6.64 8.18 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 94 C 8.31 4.27 0.00 3.10 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 95 A 8.19 4.02 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 96 K 7.69 3.30 0.00 1.72 1.52 0.00 1.32 0.00 0.00 1.23 0.00 0.00 2.51 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.86 7.81 97 K 7.60 3.95 0.00 1.78 2.01 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.27 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.78 7.81 98 I 7.21 3.27 1.68 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.22 0.00 0.00 99 V 8.87 4.07 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 1.32 0.00 0.00 1.31 0.00 0.00 100 S 7.58 4.22 0.00 4.30 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 0.00 101 D 8.98 4.90 0.00 2.77 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 *104 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.99 4.18 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.99 0.00 106 N 8.18 4.73 0.00 2.81 2.99 0.00 0.00 6.92 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 0.00 107 A 7.39 3.85 0.82 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 0.00 0.00 108 W 8.08 4.45 0.00 3.68 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 0.00 109 V 8.33 3.66 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 1.16 0.00 0.00 0.96 0.00 0.00 110 A 8.13 3.92 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 0.00 111 W 8.40 4.05 0.00 3.29 3.47 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 0.00 112 R 8.42 3.45 0.00 2.30 2.04 0.00 3.25 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 113 N 8.23 4.15 0.00 2.60 2.74 0.00 0.00 6.95 8.16 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 0.00 114 R 7.97 4.29 0.00 0.83 1.13 0.00 2.96 0.00 0.00 2.89 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.00 115 C 7.61 4.69 0.00 2.21 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 0.00 116 K 5.92 3.70 0.00 0.79 1.05 0.00 1.59 0.00 0.00 1.54 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.21 1.12 7.81 117 G 8.66 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 0.00 0.00 0.00 118 T 7.38 4.66 4.29 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 1.21 0.00 0.00 119 D 8.22 4.71 0.00 2.75 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 V 7.96 4.10 2.30 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 1.06 0.00 0.00 1.13 0.00 0.00 121 Q 8.23 4.31 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 122 A 8.13 3.97 1.22 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 0.00 0.00 0.00 123 W 7.92 3.78 0.00 3.54 3.45 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 0.00 124 I 7.54 4.40 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.97 0.00 0.00 125 R 8.70 3.97 0.00 1.72 1.87 0.00 3.17 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 126 G 8.96 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 0.00 127 C 7.50 4.32 0.00 3.13 2.87 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 * Residues marked with a * may have inaccurate shift predictions.