NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3262 8.4444 121.7344 55.8285 30.6573 175.0186 7 M 3.9777 8.7708 127.9836 55.6541 32.7760 173.9579 8 K 4.8106 9.6025 125.8533 54.6845 36.8163 174.9794 9 R 5.1999 8.5347 121.1083 55.0036 33.8785 174.8273 10 T 4.7740 8.4203 115.4711 61.1832 71.2012 172.9716 11 T 5.1270 8.3615 118.2227 60.6471 71.7106 173.7993 12 L 4.4518 8.1891 119.5932 54.8325 43.9122 174.3641 13 D 4.9112 8.9212 123.8868 54.7442 41.8799 175.4617 14 S 4.4187 8.1241 113.9957 56.8156 65.3983 174.0599 15 P 4.1113 0.0000 0.0000 64.9799 30.8898 177.7265 16 L 3.7178 6.5199 116.4467 54.2619 41.9302 175.9637 17 G 3.6062 7.9999 104.5833 43.2907 0.0000 172.7077 18 K 3.9619 8.6404 117.4260 57.0757 33.3161 176.1813 19 L 4.7886 9.1551 126.8544 53.6344 43.4382 175.5960 20 E 4.8718 9.2583 126.2366 54.6555 31.5315 174.5968 21 L 5.0285 9.3059 129.0735 53.3913 43.2954 175.8558 22 S 4.9252 8.8109 120.0119 56.3897 65.2089 173.8881 23 G 4.6267 8.2805 113.2341 46.6131 0.0000 171.1665 24 C 5.2705 7.4893 114.8990 55.6619 32.6544 174.3773 25 E 3.9873 8.9961 117.5575 59.4437 29.0392 178.8832 26 Q 4.0446 8.0609 116.5739 56.0343 29.3136 175.9222 27 G 4.0047 7.2091 106.7846 44.7488 0.0000 170.6203 28 L 4.0517 8.9140 122.8957 55.5675 42.4176 176.7926 29 H 4.4551 9.2643 127.5251 58.1937 30.5867 174.9928 30 E 4.9017 7.8190 115.3824 55.4276 33.7517 173.7885 31 I 4.3682 8.6724 129.0043 60.3242 37.8802 175.0941 32 K 4.7021 8.8683 128.7413 54.4590 35.4767 174.4958 33 L 4.8569 8.4637 125.0929 53.6041 42.7473 175.9612 34 L 4.1432 9.1289 124.8050 55.6379 42.8221 178.6050 35 G 3.6931 7.9186 104.3659 45.9288 0.0000 171.0927 *56 P 4.2116 0.0000 0.0000 61.7818 32.5737 176.5111 57 E 3.9594 8.5345 117.1327 58.8863 29.3313 176.8606 58 P 4.2442 0.0000 0.0000 65.5312 31.5304 178.5243 59 L 4.0953 7.9008 117.3563 58.1832 41.3676 179.4038 60 M 4.2979 7.7481 117.6408 58.1166 32.0139 178.4019 61 Q 4.3134 7.8487 118.3550 58.5484 29.1420 177.8480 62 C 4.2156 8.5931 120.0532 62.8733 31.5888 175.4768 63 T 4.1816 8.4444 113.9438 65.0799 68.1451 174.9704 64 A 4.6970 7.7201 122.7517 52.8002 20.9319 178.3755 65 W 3.6439 8.4890 127.2141 60.4798 30.7520 178.2385 66 L 3.7625 8.3520 118.9117 57.9064 41.3863 178.8886 67 N 4.3752 8.4017 116.1041 56.4343 38.6266 176.2460 68 A 3.8296 7.2258 121.6946 54.7831 18.6525 178.3929 69 Y 3.6282 7.1683 116.8696 60.8647 38.6500 178.5865 70 F 4.5204 7.8311 117.1466 60.4417 39.3901 176.3727 71 H 4.7935 7.2156 110.7688 55.6070 29.5314 175.3678 72 Q 4.6027 8.2130 118.6374 54.4898 30.5481 173.4116 73 P 3.9089 0.0000 0.0000 65.4874 32.0489 177.6788 74 E 3.7636 8.0885 117.6000 58.7782 29.5187 177.1106 75 A 4.5780 7.3571 120.2200 50.0607 18.6929 174.9737 76 I 4.0629 7.4299 119.8760 60.6754 39.3084 177.3327 77 E 4.2920 8.0873 118.5223 59.3817 29.6382 177.6446 78 E 4.0236 8.3191 118.4281 58.1352 29.9891 176.4832 79 F 4.7161 7.8360 115.9791 55.3098 40.3519 173.5601 80 P 4.4490 0.0000 0.0000 62.2168 31.8521 176.0671 81 V 3.5888 8.3566 123.8039 61.1791 31.6296 173.8418 82 P 4.3109 0.0000 0.0000 62.6213 31.4049 175.4432 83 A 4.1258 8.2822 120.9620 51.8559 19.6548 176.2721 84 L 4.4878 8.1695 122.4657 53.8118 42.2307 175.8676 85 H 4.7521 9.1462 124.6017 58.1818 31.3316 174.9028 86 H 3.8040 8.3428 116.7268 54.5660 30.5228 173.1784 87 P 4.4930 0.0000 0.0000 64.3853 31.0436 176.9925 88 V 3.6591 7.3929 118.6615 64.9885 31.7510 176.5377 89 F 4.4030 7.7843 116.3898 58.4914 39.3210 176.8836 90 Q 4.1818 7.9395 119.5072 58.4297 29.1075 176.1151 91 Q 4.1035 7.6788 115.7649 55.1372 29.4019 175.7033 92 E 3.9601 8.5739 124.4859 56.1389 30.4780 175.8718 93 S 4.5187 7.7708 118.4649 56.8472 65.5727 174.4623 94 F 4.1536 8.9529 120.7934 62.1694 39.1024 177.4013 95 T 3.7963 8.1079 114.9661 66.9300 68.2403 175.9069 96 R 3.5606 7.6922 119.9090 59.3917 29.5682 178.2094 97 Q 3.8766 7.4732 119.1571 59.7201 28.9565 177.7953 98 V 3.3472 8.1517 119.5772 65.6390 31.3195 177.4673 99 L 3.9492 8.4857 118.4488 58.1005 41.7438 179.9888 100 W 4.3097 8.3909 118.5028 59.6880 28.8071 178.4945 101 K 4.0070 9.5154 119.8090 58.4778 31.5205 178.0309 102 L 4.0283 8.0664 120.3676 57.8340 42.3427 177.7795 103 L 3.9303 7.8069 118.8296 58.5457 41.9398 178.4503 104 K 4.0071 8.0447 118.9343 59.1773 32.2383 178.5041 105 V 3.7333 7.3889 118.7615 65.2452 31.7116 176.4859 106 V 3.9188 7.5170 112.3511 60.7517 32.0551 176.0594 107 K 4.7284 8.5699 123.9008 54.5337 35.4765 175.3125 108 F 3.8188 8.3238 121.3102 59.4689 38.8088 175.5509 109 G 4.0053 8.8192 118.3930 45.3142 0.0000 172.9693 110 E 4.5066 7.9442 118.7694 55.9824 30.7451 175.7737 111 V 4.6878 7.6714 111.4647 60.4351 35.9503 173.8171 112 I 4.8536 8.6734 124.2237 59.0177 41.4735 174.8044 113 S 5.2585 9.4444 124.3003 57.9881 64.0451 174.7015 114 Y 4.1547 8.8172 119.6381 61.7547 37.6133 179.1909 115 Q 4.0541 8.1948 119.5991 59.3406 29.0621 177.9779 116 Q 4.0616 8.0895 118.6378 58.2930 28.8040 177.9062 117 L 4.2908 7.9921 120.2988 56.1781 42.4001 178.4648 118 A 4.1598 7.9373 120.9261 55.3605 18.2211 179.1493 119 A 4.0150 7.9331 117.9130 55.4490 18.3995 179.7333 120 L 4.0793 7.2160 116.3076 58.1130 41.9239 179.4634 121 A 4.2476 7.9078 118.6917 52.1732 18.3647 179.2567 122 G 4.3898 7.8830 110.6341 46.5849 0.0000 172.8351 123 N 4.4315 8.4347 127.6277 52.5822 39.0800 173.3371 124 P 4.6594 0.0000 0.0000 64.1681 31.6749 177.7655 125 K 4.2429 7.7384 116.3481 58.0756 32.4479 177.9670 126 A 4.2225 7.7870 122.3673 51.8795 17.9853 179.7595 127 A 4.0332 8.2545 125.4187 56.7958 19.1640 180.7077 128 R 3.7685 8.2981 115.1170 59.7293 30.0359 178.3470 129 A 4.0421 7.5390 119.3198 54.4650 18.2691 179.5954 130 V 3.9333 8.2365 117.5856 65.6820 31.5454 177.8819 131 G 3.8334 8.3528 106.2286 48.2352 0.0000 175.9079 132 G 3.8008 8.0889 107.8764 46.5970 0.0000 175.3610 133 A 4.0344 7.7752 122.8287 55.5986 18.2241 179.6910 134 M 4.0129 8.3344 116.2606 58.2787 32.0952 178.5821 135 R 4.0441 8.3559 118.5079 59.5066 30.3996 178.5680 136 G 3.7880 8.6040 103.9403 45.1743 0.0000 172.9018 137 N 4.0263 7.2858 119.6888 53.8492 39.0586 172.2918 138 P 4.5992 0.0000 0.0000 63.1137 32.5000 176.2820 139 V 4.7877 8.6424 112.6146 59.5103 32.3034 173.1199 140 P 4.5459 0.0000 0.0000 64.0137 32.0381 176.0988 141 I 3.5718 8.2917 125.4999 61.5796 34.9335 174.6192 142 L 2.6341 7.1971 121.4118 57.9070 42.0967 178.0933 143 I 3.9304 7.8854 129.4778 58.9022 36.1408 173.5125 144 P 4.3378 0.0000 0.0000 63.4576 30.3541 176.1590 145 S 4.5179 8.5646 121.5335 60.2934 63.7268 176.4559 146 H 4.5730 8.3684 114.4977 57.7553 28.6661 176.2049 147 R 4.0451 7.6870 118.1882 56.7572 30.4342 175.3721 148 V 4.8908 7.2593 119.1038 61.2509 32.2700 175.3968 149 V 4.7172 7.7192 119.5597 59.1724 36.8104 174.5796 150 C 4.8849 8.9278 119.2667 60.2184 28.8050 175.9344 151 S 4.0979 9.0630 118.2283 61.7799 62.6594 176.4119 152 S 4.3329 7.3931 109.6729 59.0577 62.5074 174.6285 153 G 3.9882 8.0673 109.9971 45.5007 0.0000 174.4164 154 A 4.0543 7.3887 121.8170 52.2135 18.8642 178.4961 155 V 3.4022 8.5021 122.1727 64.1806 31.6576 177.4782 156 G 4.1044 8.1418 102.9667 45.1107 0.0000 171.7979 157 N 4.7873 8.3202 117.6199 53.1886 40.3065 173.2281 158 Y 4.5749 8.4588 118.3059 56.7310 41.1129 173.4337 159 S 3.6221 7.7495 120.5999 62.7323 63.1140 176.3571 160 G 3.8652 7.3601 107.6127 45.5847 0.0000 171.3035 161 G 3.8801 9.0862 113.1492 46.1251 0.0000 175.3481 162 L 3.8683 8.5384 127.2787 57.7724 42.2694 178.5772 163 A 4.0086 8.1443 120.6426 55.3932 18.3006 179.0547 164 V 3.4543 7.6857 116.3809 66.2367 31.5989 177.7563 165 K 3.4310 7.2559 118.2745 59.6860 31.7215 178.4329 166 E 3.9048 7.9240 118.4469 59.2608 29.4906 178.8616 167 W 4.0866 8.4984 128.6850 60.5883 30.5430 177.8105 168 L 4.2300 8.7219 119.2340 57.9356 41.1203 179.1902 169 L 3.9396 7.9196 118.2141 58.0232 41.4723 179.6393 170 A 4.1392 8.1442 122.0930 54.7851 18.0390 179.0438 171 H 3.6399 7.5260 115.7993 58.9700 30.0448 176.5062 172 E 4.0408 8.0633 119.4176 56.4482 30.3109 177.4766 173 G 3.8604 7.3328 104.6778 46.4569 0.0000 174.2263 174 H 4.4421 8.0176 117.3786 54.7470 29.5365 174.6800 175 R 4.4154 8.3682 123.7569 55.8569 30.8099 176.2182 176 L 4.2377 8.1915 123.7676 55.2252 42.7480 175.7200 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 6 E 8.44 4.33 0.00 2.00 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 2.19 2.32 0.00 7 M 8.77 3.98 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 8 K 9.60 4.81 0.00 1.82 1.64 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.53 7.81 9 R 8.53 5.20 0.00 1.66 1.81 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 10 T 8.42 4.77 4.27 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 1.28 0.00 0.00 11 T 8.36 5.13 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 1.23 0.00 0.00 12 L 8.19 4.45 0.00 1.84 1.82 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.92 4.91 0.00 2.59 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 14 S 8.12 4.42 0.00 3.41 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 15 P 0.00 4.11 0.00 0.82 1.66 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 16 L 6.52 3.72 0.00 1.31 1.56 0.07 1.03 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 17 G 8.00 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 18 K 8.64 3.96 0.00 1.72 1.83 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.67 1.49 7.81 19 L 9.16 4.79 0.00 1.77 1.68 1.23 0.69 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 20 E 9.26 4.87 0.00 2.04 1.84 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 2.25 2.40 0.00 21 L 9.31 5.03 0.00 1.67 1.63 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.81 4.93 0.00 3.96 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 23 G 8.28 4.63 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 24 C 7.49 5.27 0.00 3.01 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 25 E 9.00 3.99 0.00 1.96 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 0.00 2.32 2.35 0.00 26 Q 8.06 4.04 0.00 1.60 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 27 G 7.21 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 28 L 8.91 4.05 0.00 1.77 1.51 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29 H 9.26 4.46 0.00 3.28 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.82 4.90 0.00 2.19 1.80 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 2.18 2.37 0.00 31 I 8.67 4.37 1.89 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 1.14 0.69 0.97 0.00 0.00 32 K 8.87 4.70 0.00 1.85 1.64 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 33 L 8.46 4.86 0.00 1.58 1.59 1.01 1.03 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 34 L 9.13 4.14 0.00 1.70 1.71 0.93 0.98 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 35 G 7.92 3.69 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 0.00 0.00 0.00 *56 P 0.00 4.21 0.00 2.26 2.28 0.00 3.72 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 1.98 1.97 0.00 57 E 8.53 3.96 0.00 2.06 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 2.38 2.41 0.00 58 P 0.00 4.24 0.00 2.20 2.06 0.00 3.62 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 2.30 2.16 0.00 59 L 7.90 4.10 0.00 1.76 1.75 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.75 4.30 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 61 Q 7.85 4.31 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 62 C 8.59 4.22 0.00 3.10 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 63 T 8.44 4.18 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 1.28 0.00 0.00 64 A 7.72 4.70 1.62 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 0.00 0.00 65 W 8.49 3.64 0.00 3.57 3.34 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 66 L 8.35 3.76 0.00 1.87 1.76 1.06 0.58 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 67 N 8.40 4.38 0.00 3.13 2.89 0.00 0.00 6.93 8.15 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 68 A 7.23 3.83 0.11 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 0.00 0.00 69 Y 7.17 3.63 0.00 1.49 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 70 F 7.83 4.52 0.00 2.85 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 71 H 7.22 4.79 0.00 3.43 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.21 4.60 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 73 P 0.00 3.91 0.00 1.57 2.19 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 74 E 8.09 3.76 0.00 1.88 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 2.21 2.21 0.00 75 A 7.36 4.58 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 76 I 7.43 4.06 1.58 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.06 0.90 0.00 0.00 77 E 8.09 4.29 0.00 2.03 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 2.33 2.26 0.00 78 E 8.32 4.02 0.00 1.90 1.94 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 1.92 2.19 0.00 79 F 7.84 4.72 0.00 3.16 3.18 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 80 P 0.00 4.45 0.00 2.44 2.11 0.00 4.04 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 81 V 8.36 3.59 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 0.55 0.00 0.00 0.89 0.00 0.00 82 P 0.00 4.31 0.00 2.14 2.14 0.00 3.52 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 83 A 8.28 4.13 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 84 L 8.17 4.49 0.00 0.38 0.13 0.36 0.82 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 85 H 9.15 4.75 0.00 3.20 3.43 0.00 5.99 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 86 H 8.34 3.80 0.00 3.57 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.49 0.00 2.09 2.06 0.00 3.24 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.77 0.00 88 V 7.39 3.66 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 0.25 0.00 0.00 0.76 0.00 0.00 89 F 7.78 4.40 0.00 3.12 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 90 Q 7.94 4.18 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 91 Q 7.68 4.10 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 92 E 8.57 3.96 0.00 1.81 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 2.25 2.30 0.00 93 S 7.77 4.52 0.00 4.00 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 94 F 8.95 4.15 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 95 T 8.11 3.80 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 1.07 0.00 0.00 96 R 7.69 3.56 0.00 1.61 1.60 0.00 2.78 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.16 0.00 97 Q 7.47 3.88 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 98 V 8.15 3.35 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 0.92 0.00 0.00 -0.11 0.00 0.00 99 L 8.49 3.95 0.00 1.78 1.94 0.88 0.87 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 0.00 100 W 8.39 4.31 0.00 3.68 3.20 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 0.00 101 K 9.52 4.01 0.00 2.10 1.81 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.52 7.81 102 L 8.07 4.03 0.00 1.76 1.88 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.81 3.93 0.00 1.72 1.80 0.84 0.39 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 0.00 104 K 8.04 4.01 0.00 1.69 1.74 0.00 1.73 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.47 7.81 105 V 7.39 3.73 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 0.90 0.00 0.00 0.99 0.00 0.00 106 V 7.52 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 0.72 0.00 0.00 0.96 0.00 0.00 107 K 8.57 4.73 0.00 1.97 1.79 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 108 F 8.32 3.82 0.00 3.16 2.91 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 0.00 109 G 8.82 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 0.00 0.00 0.00 110 E 7.94 4.51 0.00 2.14 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 2.35 2.39 0.00 111 V 7.67 4.69 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 0.48 0.00 0.00 0.92 0.00 0.00 112 I 8.67 4.85 1.85 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 1.24 1.46 0.86 0.00 0.00 113 S 9.44 5.26 0.00 3.95 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 0.00 114 Y 8.82 4.15 0.00 3.04 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 0.00 115 Q 8.19 4.05 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 116 Q 8.09 4.06 0.00 2.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 117 L 7.99 4.29 0.00 1.75 1.82 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.94 4.16 1.50 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 0.00 0.00 119 A 7.93 4.01 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 0.00 120 L 7.22 4.08 0.00 1.87 1.75 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.91 4.25 1.06 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 0.00 122 G 7.88 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 0.00 0.00 0.00 0.00 123 N 8.43 4.43 0.00 2.69 2.65 0.00 0.00 6.91 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 0.00 124 P 0.00 4.66 0.00 2.11 2.13 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 125 K 7.74 4.24 0.00 1.74 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.37 7.81 126 A 7.79 4.22 0.96 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 0.00 127 A 8.25 4.03 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 0.00 128 R 8.30 3.77 0.00 1.84 1.90 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 129 A 7.54 4.04 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 0.00 130 V 8.24 3.93 2.49 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 1.10 0.00 0.00 1.27 0.00 0.00 131 G 8.35 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 0.00 132 G 8.09 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 0.00 133 A 7.78 4.03 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 0.00 134 M 8.33 4.01 0.00 1.99 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.98 0.00 135 R 8.36 4.04 0.00 1.80 2.03 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 136 G 8.60 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 0.00 0.00 0.00 137 N 7.29 4.03 0.00 2.78 2.84 0.00 0.00 7.16 7.73 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 0.00 138 P 0.00 4.60 0.00 2.08 1.89 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.50 0.00 139 V 8.64 4.79 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 0.83 0.00 0.00 1.17 0.00 0.00 140 P 0.00 4.55 0.00 2.32 2.09 0.00 3.89 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 2.04 2.02 0.00 141 I 8.29 3.57 1.88 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.63 0.00 0.00 142 L 7.20 2.63 0.00 1.22 1.59 -0.45 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.89 3.93 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.94 0.00 0.00 144 P 0.00 4.34 0.00 2.08 2.12 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 145 S 8.56 4.52 0.00 4.03 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 0.00 146 H 8.37 4.57 0.00 3.25 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.69 4.05 0.00 1.79 2.01 0.00 3.05 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.26 0.00 148 V 7.26 4.89 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 0.24 0.00 0.00 0.85 0.00 0.00 149 V 7.72 4.72 2.32 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 0.74 0.00 0.00 0.89 0.00 0.00 150 C 8.93 4.88 0.00 3.14 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 0.00 151 S 9.06 4.10 0.00 3.94 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 0.00 152 S 7.39 4.33 0.00 4.07 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 0.00 153 G 8.07 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 0.00 154 A 7.39 4.05 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 0.00 155 V 8.50 3.40 2.11 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 0.83 0.00 0.00 0.93 0.00 0.00 156 G 8.14 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 0.00 0.00 0.00 157 N 8.32 4.79 0.00 2.76 2.83 0.00 0.00 6.70 7.54 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 0.00 158 Y 8.46 4.57 0.00 2.97 2.81 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 0.00 159 S 7.75 3.62 0.00 3.65 3.31 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 0.00 160 G 7.36 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 0.00 161 G 9.09 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 0.00 162 L 8.54 3.87 0.00 1.87 1.75 1.01 0.97 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 0.00 163 A 8.14 4.01 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 0.00 164 V 7.69 3.45 1.71 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 0.87 0.00 0.00 1.03 0.00 0.00 165 K 7.26 3.43 0.00 1.14 1.81 0.00 2.12 0.00 0.00 2.00 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.59 7.81 166 E 7.92 3.90 0.00 2.19 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 2.33 2.47 0.00 167 W 8.50 4.09 0.00 3.37 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 0.00 168 L 8.72 4.23 0.00 1.86 1.70 0.77 1.23 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 0.00 169 L 7.92 3.94 0.00 1.68 1.63 0.86 0.59 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 0.00 170 A 8.14 4.14 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 0.00 171 H 7.53 3.64 0.00 1.95 3.24 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.06 4.04 0.00 1.78 1.48 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 1.47 2.30 0.00 173 G 7.33 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 0.00 0.00 0.00 174 H 8.02 4.44 0.00 3.23 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.37 4.42 0.00 1.75 1.83 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 176 L 8.19 4.24 0.00 1.60 1.47 0.90 0.86 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 * Residues marked with a * may have inaccurate shift predictions.