NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0909 8.3549 109.7657 44.4237 0.0000 173.2530 3 D 4.3216 7.6806 123.3887 54.0528 47.0202 177.2171 4 T 4.7220 9.1206 126.1480 63.0217 70.1862 173.0437 5 F 5.0235 8.3393 119.4216 56.4184 41.2612 172.4279 6 I 4.0851 8.2519 120.1352 60.2807 37.4917 176.3526 7 R 4.3953 8.8487 126.0338 58.5613 31.1887 176.5266 8 H 4.7336 7.6129 116.4931 54.8243 33.6024 172.4918 9 I 4.8429 7.9469 124.3857 59.5040 40.0462 174.4031 10 A 4.8124 8.9747 129.3913 49.8236 21.9044 175.0416 11 L 4.2954 8.5271 123.6629 54.3252 42.8445 176.5372 12 L 4.4033 9.3890 125.4991 54.6943 43.1379 176.8831 13 G 4.0636 6.8983 105.4988 45.2650 0.0000 171.0153 14 F 5.0984 7.9045 116.6924 55.8137 42.0910 173.5152 15 E 5.2254 9.5546 118.2360 54.4596 33.7803 175.1785 16 K 4.5439 9.2493 125.4194 55.5417 33.4404 175.7574 17 R 4.4166 8.4557 127.3668 54.9179 31.7544 177.3725 18 F 4.7336 8.5293 118.1854 57.0134 41.5647 175.7433 19 V 4.4319 7.7517 119.8050 60.3360 33.2388 173.2964 20 P 4.5434 0.0000 0.0000 63.9258 32.0261 175.3599 21 S 4.6651 7.5271 111.8031 56.1737 65.6882 172.3309 22 Q 4.9558 8.8566 125.3114 55.8376 29.3456 174.5000 23 H 4.4993 8.0993 119.8041 55.2217 31.6946 171.9282 24 Y 5.1135 8.3835 116.6929 56.9071 39.5574 175.6389 25 V 4.6220 8.6993 115.7761 60.1969 35.4408 175.3999 26 Y 4.3513 8.9756 122.8807 57.2956 41.2298 174.0949 *28 F 4.7817 8.4569 117.9995 58.3089 41.1687 173.8560 29 L 4.9335 9.0830 125.3929 53.6092 43.8409 175.0118 30 V 4.4966 8.9632 127.4928 61.0216 33.8360 174.0725 31 K 4.8483 8.7968 130.5639 55.2295 33.5699 176.1774 32 W 4.8974 8.9805 128.0846 54.9308 31.3333 177.5024 33 Q 3.5642 8.6824 119.0518 59.1613 27.7767 177.8278 34 D 4.6026 8.0045 115.3275 53.0757 39.5795 176.8441 35 L 3.8359 8.2538 119.0736 54.9915 40.1666 174.7919 36 S 4.4166 8.4613 114.6918 58.4404 64.4010 173.1052 37 E 5.1605 8.7864 120.9963 54.7719 31.7356 175.3904 38 K 4.7348 9.2711 124.4769 54.4659 35.8177 175.4239 39 V 4.6418 8.3998 123.8997 62.0677 32.3888 175.3505 40 V 4.7835 8.6420 120.2788 59.8039 35.7535 174.4507 41 Y 5.2878 9.2715 119.7002 56.5635 40.8144 175.6784 42 R 5.1110 9.4825 121.9635 53.4854 34.8757 175.4574 43 R 4.8428 9.3209 121.8764 55.8256 31.3201 177.3109 44 F 4.1586 9.5072 122.2697 62.1871 39.2109 177.7549 45 T 4.0141 8.2344 114.6756 66.6660 67.9737 176.3599 46 E 4.3355 8.1988 121.4983 58.9264 29.5228 179.2253 47 I 3.5782 7.8505 119.9357 64.4488 37.1555 177.8396 48 Y 3.6888 7.9376 120.7197 60.5997 38.0296 177.9943 49 E 3.8423 8.4989 119.8204 59.1293 29.5386 178.9326 50 F 3.8706 8.2035 121.0300 61.4342 39.2214 176.3584 51 H 3.7922 8.1549 118.0380 59.3841 29.5594 177.1370 52 K 3.6110 7.5901 120.1188 59.5605 31.5860 179.4493 53 T 3.7403 7.3995 109.0897 64.4950 68.6530 176.1328 54 L 3.9648 7.2556 122.4552 57.8025 42.1585 178.6869 55 K 4.0986 7.6957 117.5240 59.1346 32.0030 179.7398 56 E 4.0282 7.7054 117.7825 55.7194 31.2013 177.3139 *58 F 4.5488 7.8937 114.1082 56.1193 39.8561 174.0199 59 P 4.3045 0.0000 0.0000 65.6700 31.4247 178.8986 60 I 3.6870 7.6985 119.1971 64.4901 37.1826 177.9462 61 E 4.0810 8.2086 117.7043 58.2727 29.2089 178.2242 62 A 4.2147 7.9009 119.8130 52.2054 18.7198 178.1486 63 G 3.8096 7.9287 104.9041 45.8740 0.0000 174.9475 64 A 4.1195 8.1009 124.0274 54.1431 18.7399 179.8597 65 I 3.9957 7.7694 115.6636 62.8843 38.0825 175.5907 66 N 4.8778 7.7310 121.6865 50.7128 40.6196 172.8376 67 P 4.4705 0.0000 0.0000 65.5964 31.5159 178.1036 68 E 4.1233 8.2706 115.2553 58.1813 29.6518 176.8971 69 N 4.6451 8.1891 116.6963 53.2267 38.9095 175.1505 70 R 4.2665 7.8795 120.7062 56.2929 30.4484 176.0511 71 I 4.5243 8.4672 116.8593 60.1345 39.1400 175.9497 72 I 3.7024 7.6825 122.9349 60.3828 37.3528 174.1261 73 P 4.4822 0.0000 0.0000 62.9777 31.8352 175.6096 74 H 4.6277 8.5731 116.3121 55.2826 29.6476 175.2278 75 L 4.6013 8.1769 123.0144 52.5537 43.9708 174.4087 76 P 4.3290 0.0000 0.0000 62.4173 31.8424 176.4134 77 A 3.2930 8.5504 125.0577 51.5401 18.7042 175.5835 78 P 4.2814 0.0000 0.0000 62.3944 29.6446 174.5908 79 K 3.7759 8.0703 121.6178 56.6869 31.8285 178.2710 *80 W 4.1703 8.4813 128.8687 55.6855 27.3734 172.8810 *81 F 4.8895 8.0385 122.4039 53.5938 42.1598 171.8614 82 D 4.6043 9.7214 125.1976 54.4475 40.0567 180.3898 83 G 3.8268 8.3899 115.0198 42.4384 0.0000 174.5307 84 Q 4.3896 8.3293 122.9484 57.1792 28.2900 177.5402 85 R 3.9977 7.8433 121.1791 60.5445 30.2515 178.2231 86 A 3.9187 7.9282 119.7918 55.1483 18.4664 179.2763 87 A 3.7931 7.7349 118.8582 55.3119 18.5258 179.7735 88 E 3.9425 8.7009 117.4503 59.5097 29.5043 179.2870 89 N 4.3419 8.6002 117.1482 56.0468 38.4404 177.5345 90 R 3.7469 7.8139 121.4339 58.8819 30.1786 178.3387 91 Q 3.9960 7.9467 119.4143 59.1013 29.0780 178.3511 92 G 3.6454 8.0009 106.7171 48.0774 0.0000 175.7856 93 T 4.0492 8.3562 112.6087 64.4351 68.9126 176.9354 94 L 4.1715 8.3431 122.2495 57.6960 41.6210 179.4651 95 T 3.9191 8.3065 116.1576 66.7791 68.4285 176.1925 96 E 3.9791 8.3615 121.1071 59.3165 29.5412 178.1684 97 Y 4.0171 8.3734 119.7063 61.1105 38.7230 178.0257 98 C 4.1958 8.1637 116.1857 62.8577 28.3030 175.9784 99 S 4.1888 8.0054 116.0117 61.9146 62.4785 176.5994 100 T 4.0245 7.8590 117.5795 66.0702 68.4159 177.0384 101 L 3.7934 7.6931 121.2871 54.9815 42.2604 178.9415 *103 S 4.3725 8.0267 113.7071 57.8315 64.7123 174.3804 104 L 4.1451 7.3680 120.4082 53.3514 42.1268 175.6292 105 P 4.2748 0.0000 0.0000 63.2025 33.1014 177.9610 106 T 4.3494 8.6416 112.7791 63.8696 68.4372 176.7317 107 K 3.9351 7.9829 120.8169 59.2983 32.7479 178.1184 108 I 3.7643 7.1860 119.9969 63.0408 38.0787 177.9556 109 S 4.2445 8.1670 114.8081 60.3114 62.4934 175.6452 110 R 4.4378 7.6051 120.2237 55.7102 30.5937 176.1676 111 C 4.4383 8.0172 115.1900 57.7135 31.2840 172.5177 112 P 4.3885 0.0000 0.0000 66.2735 31.0512 178.3211 113 H 4.2765 8.4101 116.4858 59.1652 29.6280 176.9572 114 L 4.2826 8.1518 120.5815 58.2931 42.3103 178.2340 115 L 4.3500 8.2551 118.9630 58.3044 41.5212 179.4193 116 D 4.4843 8.7199 119.0290 57.2545 40.4922 178.5408 117 F 3.9646 7.9308 120.1022 60.7483 39.3569 176.2874 118 F 4.2587 7.5834 114.3097 56.4411 39.5021 176.3826 119 K 4.3701 7.3000 119.2694 55.8102 32.5137 177.1466 120 V 3.7988 8.2905 122.1969 63.4138 32.0955 176.0381 121 R 4.4966 9.3115 126.3427 54.2009 31.7591 175.5795 122 P 4.2426 0.0000 0.0000 66.0935 31.3049 178.2027 123 D 5.2510 7.8335 113.8459 54.8437 41.2235 177.1542 124 D 4.7748 8.0057 119.3287 56.6764 41.1355 177.4387 125 L 4.2703 8.0013 120.2182 56.3506 42.7250 176.9967 126 K 4.4778 8.1694 120.3874 52.0799 33.1518 177.3845 127 L 4.4940 8.2063 125.1381 52.8279 42.3145 175.9707 128 P 4.3133 0.0000 0.0000 63.1401 31.7413 175.8187 129 T 4.7532 8.2542 111.7329 59.6709 72.2232 172.4363 130 D 4.9258 8.2324 120.9131 52.0327 43.8014 176.4666 131 N 4.4178 8.9374 123.3228 55.3198 37.3814 175.4871 132 Q 4.5061 8.0424 115.9544 55.6597 29.1562 175.1378 133 T 4.5705 7.3225 114.3670 60.8609 71.2250 174.0515 134 K 3.8653 8.3693 126.0868 56.3139 32.6089 176.8483 135 K 4.2044 8.4996 125.3853 55.7639 32.6901 174.9563 136 P 4.5759 0.0000 0.0000 63.2327 32.2880 175.5266 137 E 4.3879 8.9099 122.4479 55.9450 30.8590 175.4764 138 T 4.6359 8.2311 121.3013 62.3969 70.6893 174.4316 139 Y 4.2813 8.7934 123.4604 55.9563 40.0502 175.9848 140 L 4.6055 8.0878 122.0452 53.9887 41.9587 177.0839 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 G 8.35 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 3 D 7.68 4.32 0.00 2.87 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 0.00 0.00 0.00 4 T 9.12 4.72 4.37 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 1.41 0.00 0.00 5 F 8.34 5.02 0.00 3.11 3.16 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 0.00 0.00 0.00 6 I 8.25 4.09 1.50 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.43 0.00 0.00 7 R 8.85 4.40 0.00 1.59 1.99 0.00 3.30 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.44 0.00 8 H 7.61 4.73 0.00 3.16 3.01 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.95 4.84 1.61 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.35 0.73 0.00 0.00 10 A 8.97 4.81 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 11 L 8.53 4.30 0.00 1.59 1.59 0.54 1.01 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 12 L 9.39 4.40 0.00 1.70 1.67 0.90 1.04 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 13 G 6.90 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 0.00 0.00 0.00 14 F 7.90 5.10 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 15 E 9.55 5.23 0.00 1.87 1.81 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 2.26 2.39 0.00 16 K 9.25 4.54 0.00 2.10 1.75 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.76 0.88 7.81 17 R 8.46 4.42 0.00 1.22 1.55 0.00 3.11 0.00 0.00 2.97 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.00 18 F 8.53 4.73 0.00 3.02 2.99 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 19 V 7.75 4.43 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 0.88 0.00 0.00 0.99 0.00 0.00 20 P 0.00 4.54 0.00 2.21 2.17 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 21 S 7.53 4.67 0.00 3.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.86 4.96 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 23 H 8.10 4.50 0.00 3.16 3.27 0.00 5.49 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.38 5.11 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.70 4.62 2.33 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 0.83 0.00 0.00 1.02 0.00 0.00 26 Y 8.98 4.35 0.00 3.30 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 *28 F 8.46 4.78 0.00 3.15 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 29 L 9.08 4.93 0.00 1.72 1.56 0.94 0.80 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 30 V 8.96 4.50 2.19 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 0.35 0.00 0.00 0.92 0.00 0.00 31 K 8.80 4.85 0.00 2.10 1.68 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 32 W 8.98 4.90 0.00 3.43 3.09 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 33 Q 8.68 3.56 0.00 1.50 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.95 0.00 0.00 0.00 0.00 0.00 2.20 2.51 0.00 34 D 8.00 4.60 0.00 2.79 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 35 L 8.25 3.84 0.00 1.83 1.90 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.46 4.42 0.00 3.93 4.01 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 37 E 8.79 5.16 0.00 1.86 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 2.22 2.25 0.00 38 K 9.27 4.73 0.00 1.91 1.78 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 39 V 8.40 4.64 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 0.37 0.00 0.00 0.92 0.00 0.00 40 V 8.64 4.78 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 0.94 0.00 0.00 1.08 0.00 0.00 41 Y 9.27 5.29 0.00 2.84 2.94 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 42 R 9.48 5.11 0.00 2.02 1.93 0.00 2.71 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 0.00 43 R 9.32 4.84 0.00 2.05 2.07 0.00 3.10 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.89 0.00 44 F 9.51 4.16 0.00 3.36 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 45 T 8.23 4.01 4.37 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 1.33 0.00 0.00 46 E 8.20 4.34 0.00 2.26 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 2.51 2.51 0.00 47 I 7.85 3.58 1.72 0.00 0.00 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 1.54 1.00 0.73 0.00 0.00 48 Y 7.94 3.69 0.00 2.52 2.97 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 49 E 8.50 3.84 0.00 2.19 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 2.38 2.46 0.00 50 F 8.20 3.87 0.00 1.90 2.51 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 0.00 0.00 0.00 0.00 51 H 8.15 3.79 0.00 3.06 3.02 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.59 3.61 0.00 1.75 1.64 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.03 0.96 7.81 53 T 7.40 3.74 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 1.20 0.00 0.00 54 L 7.26 3.96 0.00 1.05 1.55 1.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.70 4.10 0.00 1.72 1.75 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.56 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.30 7.81 56 E 7.71 4.03 0.00 1.92 1.99 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 2.22 2.28 0.00 *58 F 7.89 4.55 0.00 3.11 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 59 P 0.00 4.30 0.00 2.24 2.28 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 60 I 7.70 3.69 1.91 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 1.65 0.61 0.92 0.00 0.00 61 E 8.21 4.08 0.00 2.03 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 2.29 2.39 0.00 62 A 7.90 4.21 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 63 G 7.93 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 64 A 8.10 4.12 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 65 I 7.77 4.00 1.87 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 1.29 0.89 0.91 0.00 0.00 66 N 7.73 4.88 0.00 2.74 2.81 0.00 0.00 6.82 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 67 P 0.00 4.47 0.00 2.27 2.31 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 68 E 8.27 4.12 0.00 2.10 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 2.27 2.33 0.00 69 N 8.19 4.65 0.00 2.85 2.88 0.00 0.00 6.90 7.22 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 70 R 7.88 4.27 0.00 1.79 1.85 0.00 3.30 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 71 I 8.47 4.52 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.88 0.00 0.00 72 I 7.68 3.70 1.83 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 1.37 0.57 0.91 0.00 0.00 73 P 0.00 4.48 0.00 2.26 2.00 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.55 0.00 74 H 8.57 4.63 0.00 3.24 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.18 4.60 0.00 1.06 1.22 0.70 0.27 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 76 P 0.00 4.33 0.00 2.09 2.00 0.00 3.85 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 2.05 2.13 0.00 77 A 8.55 3.29 1.10 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 78 P 0.00 4.28 0.00 2.00 2.16 0.00 2.90 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.51 0.00 79 K 8.07 3.78 0.00 1.63 1.71 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.33 7.81 *80 W 8.48 4.17 0.00 2.52 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 0.00 0.00 0.00 *81 F 8.04 4.89 0.00 2.24 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 0.00 0.00 0.00 0.00 82 D 9.72 4.60 0.00 2.61 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 0.00 0.00 0.00 83 G 8.39 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 84 Q 8.33 4.39 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.35 1.98 0.00 85 R 7.84 4.00 0.00 1.81 1.92 0.00 3.30 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 1.68 1.63 0.00 86 A 7.93 3.92 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 87 A 7.73 3.79 1.17 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 88 E 8.70 3.94 0.00 2.12 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 2.32 2.38 0.00 89 N 8.60 4.34 0.00 2.80 2.82 0.00 0.00 6.61 7.52 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 90 R 7.81 3.75 0.00 1.85 1.69 0.00 2.80 0.00 0.00 2.70 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.10 0.00 91 Q 7.95 4.00 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 92 G 8.00 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 0.00 0.00 0.00 93 T 8.36 4.05 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 1.30 0.00 0.00 94 L 8.34 4.17 0.00 1.68 1.89 0.37 0.81 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 95 T 8.31 3.92 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 1.25 0.00 0.00 96 E 8.36 3.98 0.00 2.20 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 2.36 2.41 0.00 97 Y 8.37 4.02 0.00 3.29 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 98 C 8.16 4.20 0.00 3.25 3.02 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 99 S 8.01 4.19 0.00 3.97 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 0.00 100 T 7.86 4.02 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 1.12 0.00 0.00 101 L 7.69 3.79 0.00 1.71 1.60 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *103 S 8.03 4.37 0.00 3.94 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 0.00 104 L 7.37 4.15 0.00 1.63 1.44 0.76 0.98 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 0.00 105 P 0.00 4.27 0.00 2.02 1.90 0.00 3.45 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 106 T 8.64 4.35 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 1.07 0.00 0.00 107 K 7.98 3.94 0.00 1.99 1.98 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.25 1.25 7.81 108 I 7.19 3.76 1.52 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.61 0.00 0.00 109 S 8.17 4.24 0.00 3.96 4.16 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 0.00 0.00 0.00 110 R 7.61 4.44 0.00 1.85 1.96 0.00 2.82 0.00 0.00 2.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.00 111 C 8.02 4.44 0.00 3.39 3.50 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 0.00 0.00 0.00 0.00 112 P 0.00 4.39 0.00 2.28 2.27 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 113 H 8.41 4.28 0.00 3.34 3.49 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.15 4.28 0.00 2.05 2.09 1.18 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.26 4.35 0.00 2.11 2.13 1.26 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.72 4.48 0.00 2.98 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 0.00 117 F 7.93 3.96 0.00 2.51 2.39 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 0.00 118 F 7.58 4.26 0.00 3.00 2.97 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 0.00 119 K 7.30 4.37 0.00 1.89 1.74 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.92 7.81 120 V 8.29 3.80 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 0.82 0.00 0.00 0.99 0.00 0.00 121 R 9.31 4.50 0.00 1.94 1.82 0.00 3.18 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 122 P 0.00 4.24 0.00 2.18 2.12 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 123 D 7.83 5.25 0.00 2.68 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 0.00 124 D 8.01 4.77 0.00 3.00 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 0.00 125 L 8.00 4.27 0.00 1.81 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.17 4.48 0.00 1.62 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.24 7.81 127 L 8.21 4.49 0.00 1.55 1.54 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.31 0.00 2.03 2.00 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 129 T 8.25 4.75 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 1.21 0.00 0.00 130 D 8.23 4.93 0.00 2.66 2.51 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 0.00 0.00 0.00 0.00 131 N 8.94 4.42 0.00 2.84 2.94 0.00 0.00 6.08 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 0.00 132 Q 8.04 4.51 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 133 T 7.32 4.57 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 1.20 0.00 0.00 134 K 8.37 3.87 0.00 1.35 1.11 0.00 1.53 0.00 0.00 1.19 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.34 7.81 135 K 8.50 4.20 0.00 1.81 1.76 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.48 7.81 136 P 0.00 4.58 0.00 1.88 1.94 0.00 3.67 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 1.95 2.08 0.00 137 E 8.91 4.39 0.00 2.15 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 2.37 2.59 0.00 138 T 8.23 4.64 4.13 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 1.19 0.00 0.00 139 Y 8.79 4.28 0.00 1.55 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 0.00 0.00 0.00 0.00 140 L 8.09 4.61 0.00 1.60 1.56 0.91 0.93 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 * Residues marked with a * may have inaccurate shift predictions.