NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.8283 8.4449 117.8353 55.3572 30.2157 171.9976 5 I 4.1844 8.1976 121.5555 60.9970 37.7952 172.5340 6 E 4.6405 9.8407 127.6777 54.7709 32.1163 175.0127 7 R 4.9765 8.0657 121.6016 54.3658 33.7657 174.9399 8 F 4.5868 8.2824 119.0148 56.3497 42.8738 174.7806 9 E 3.7502 8.6535 120.4135 57.4011 26.4520 173.5816 10 V 4.7992 7.4134 116.7838 61.0759 34.0607 174.7345 11 V 4.5996 8.4402 119.0186 59.1819 35.7727 176.3115 12 K 3.8588 8.8443 119.3661 60.0512 31.8615 178.8177 13 R 4.0631 8.0409 117.6035 58.9253 30.4727 176.1480 14 R 4.3762 7.5283 110.9789 55.3877 32.2955 173.1556 15 A 4.8009 8.4312 122.3816 51.2791 20.0140 177.6900 16 E 4.1515 8.7953 121.0800 58.3558 30.5817 176.5523 *18 A 4.7191 7.8477 121.8976 51.6907 20.6068 175.0391 19 L 5.2014 9.4131 124.4272 53.6154 45.0088 174.7458 20 H 4.9302 9.3614 126.0074 54.7146 32.4116 175.3505 21 G 3.8878 9.1363 118.7900 47.0635 0.0000 172.4752 22 N 5.0083 9.1290 119.9143 52.9051 40.4636 172.6823 23 T 4.8597 8.1633 116.6558 61.7554 71.3560 173.4103 24 V 4.8094 8.6958 126.1905 61.3024 34.0730 173.7029 25 Y 5.0649 9.2087 125.7664 56.2459 40.2828 175.0932 26 I 4.6633 8.8716 125.5121 59.5005 40.2737 176.4835 27 G 4.2547 8.6267 115.1915 45.1669 0.0000 172.6631 28 G 4.1574 8.6065 106.7792 46.2565 0.0000 173.2217 29 Q 4.6194 8.6585 124.2090 54.0637 30.9731 175.2633 30 V 4.4290 7.6296 114.3079 58.6754 35.4977 174.9383 31 A 4.1434 8.0581 124.2403 51.9394 18.8007 177.6945 32 D 4.4268 8.9072 123.0415 56.5553 41.0492 175.9160 33 D 4.7952 8.4106 118.7404 51.9081 41.3479 172.4282 34 P 4.8768 0.0000 0.0000 62.6272 31.6118 177.7669 35 S 4.2177 8.3964 115.0371 60.6486 63.1740 174.4224 36 G 3.9267 7.7203 110.2982 44.2105 0.0000 172.8256 37 D 4.7269 8.1563 119.7088 52.2160 42.1054 176.7793 38 I 3.6693 8.2141 118.0206 64.4335 37.8304 177.6082 39 Q 3.9848 8.0667 118.4457 58.8679 28.5743 178.0464 40 D 4.3139 8.5597 119.0824 57.5235 41.3519 178.3125 41 Q 3.9857 8.3885 118.8778 59.1807 28.6324 178.9494 42 T 3.7831 8.2406 117.1272 66.6899 68.4291 176.9289 43 R 3.4258 7.9111 119.8582 59.0926 30.0183 179.0334 44 Q 3.9812 8.1608 117.8826 59.1059 28.6611 179.1851 45 I 3.6196 7.6465 120.5114 64.4536 37.0883 178.6245 46 L 3.8097 7.7259 119.8218 57.6594 41.2177 179.4681 47 E 4.3065 8.5238 119.1150 59.2942 29.2964 178.8387 48 N 4.3425 8.4093 117.4295 56.5908 38.9129 176.9493 49 I 3.6878 8.0773 121.6169 64.4030 37.1486 177.8535 50 D 4.4244 8.3731 119.8240 57.7191 40.8461 179.2853 51 R 3.9369 8.0065 118.1851 59.1679 29.6378 179.2307 52 L 3.9154 8.1536 118.8484 57.7547 41.5948 179.4501 53 L 3.8379 8.1387 119.1762 58.1125 41.6142 179.7720 54 Q 4.3828 8.7373 119.7378 58.2873 28.3629 178.9181 55 S 4.2426 7.8439 114.1049 60.2781 62.9440 175.3928 56 V 4.0649 6.6980 114.0232 60.8386 31.6703 175.9321 57 G 3.7455 8.0288 107.1624 46.3078 0.0000 173.7063 58 S 4.7118 7.8777 115.8542 56.6517 64.9322 171.6245 59 D 4.7998 7.8046 119.1210 52.5098 41.2943 175.8059 60 R 4.2850 8.5660 114.4497 57.6148 29.4718 177.2311 61 G 3.9524 8.4181 107.3708 46.3591 0.0000 174.2740 62 Q 4.5888 8.1901 118.9470 55.3928 29.6353 175.2767 63 V 4.1879 7.7788 117.3068 62.6605 32.6633 175.0239 64 L 4.6836 9.0521 126.1252 55.9864 43.7943 176.6353 65 S 5.0731 7.6865 111.6117 55.9306 66.9943 172.8947 66 V 4.8780 8.8550 121.7056 61.3091 34.5380 173.9223 67 R 4.7789 8.9062 129.2913 55.3890 31.2568 175.3439 68 I 4.5201 8.7650 127.6956 59.6363 39.9036 174.6211 69 L 4.7484 9.0695 128.9557 53.2573 43.2479 175.3234 70 L 4.7983 8.7066 127.2366 53.3773 43.4318 177.1442 71 A 4.3359 8.7775 128.6089 53.9801 19.2874 177.7420 72 H 4.8697 7.8719 111.7677 53.1319 32.4906 174.2271 73 R 3.9063 8.9145 124.2566 59.6153 29.6091 178.2314 74 E 4.1848 8.1526 115.4656 58.6823 30.0549 177.6896 75 D 4.6596 8.2105 119.0851 55.0907 41.1378 177.4115 76 Y 4.1656 8.1243 121.6365 60.7125 38.8010 177.7736 77 A 3.9714 8.1543 121.3203 55.1268 18.4344 179.7057 78 G 3.5343 8.0306 103.7901 47.6115 0.0000 175.4641 79 L 3.9898 7.9230 122.6671 58.2740 42.0991 179.0168 80 N 4.3426 8.0259 116.2741 55.9439 38.1292 177.0399 81 Q 3.9756 7.9576 120.6121 59.3224 29.2569 178.7607 82 V 3.7918 7.5831 118.9838 65.7159 31.6995 177.4482 83 W 4.1734 8.3765 128.7692 60.7630 30.4848 177.4583 84 D 4.8080 8.7236 115.8881 55.9569 40.3107 176.8161 85 Q 4.5977 7.7800 115.4777 55.4449 29.5022 176.4221 86 W 3.9509 8.0860 129.5463 59.9874 30.8679 176.5121 87 F 4.4987 7.6540 114.7932 55.3076 39.9284 173.7653 88 P 4.2772 0.0000 0.0000 62.0462 31.7489 175.3875 89 E 3.8719 8.7454 120.8742 57.8788 29.2930 177.3298 90 G 3.9284 8.9083 113.2443 46.3133 0.0000 173.3712 91 R 4.4206 8.0046 116.3813 55.3444 30.6072 176.3022 92 A 3.2599 7.7954 121.6396 51.3428 18.8192 176.1302 93 P 4.6116 0.0000 0.0000 62.2247 32.2782 176.2388 94 T 4.2576 8.2052 111.2133 62.3769 69.7029 173.2117 95 R 5.4233 8.5134 117.7054 54.6323 33.0740 174.1222 96 A 4.5432 8.2592 121.0680 50.7403 22.4774 174.3823 97 C 5.8334 8.9664 123.0076 56.8580 34.2027 172.9327 98 S 4.6801 8.2740 118.8173 56.8880 66.8395 172.4351 99 L 4.9343 8.3561 119.4032 54.4423 42.3361 176.5777 100 A 4.6952 8.7728 123.0092 50.4566 23.2583 174.9712 101 E 4.2434 8.7592 121.4949 55.3680 30.2586 176.3146 102 L 4.7672 8.1747 125.9553 53.1240 43.8605 176.8318 103 I 3.7162 8.6775 120.9301 63.9086 37.3834 176.2886 104 D 4.2484 6.4849 120.6746 51.1805 41.5429 174.9879 105 P 4.3233 0.0000 0.0000 65.2178 31.3638 177.6351 106 R 4.0852 8.0148 117.8138 58.0072 30.2896 176.9960 107 W 4.7245 7.6558 118.9404 56.9371 29.4856 176.2951 108 R 4.5866 9.6340 122.7726 57.5163 30.9631 176.5120 109 V 4.9012 7.4471 115.8498 60.9257 34.3019 172.2004 110 E 5.2135 8.7445 122.2975 54.0013 34.0805 173.4436 *112 I 4.2531 8.1071 119.4529 61.1919 38.8735 175.2874 113 V 4.8854 8.7302 125.6637 61.0459 35.1116 174.1099 114 V 4.7154 8.6819 126.5365 61.1371 34.3778 174.2046 115 A 5.1435 8.9937 128.0592 50.5647 23.3233 173.9562 116 A 5.1258 8.8265 120.1121 50.2680 22.3745 176.1255 117 R 4.5208 8.6102 118.9855 54.4608 32.7668 174.9401 118 E 4.1223 8.6432 126.7055 56.4772 29.6121 175.9238 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 4 H 8.44 4.83 0.00 3.18 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.20 4.18 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 1.00 0.00 0.00 6 E 9.84 4.64 0.00 2.11 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 0.00 2.24 2.32 0.00 7 R 8.07 4.98 0.00 1.50 1.71 0.00 3.10 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 8 F 8.28 4.59 0.00 2.91 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 9 E 8.65 3.75 0.00 2.23 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 2.37 2.38 0.00 10 V 7.41 4.80 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 0.82 0.00 0.00 0.89 0.00 0.00 11 V 8.44 4.60 2.09 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 0.73 0.00 0.00 0.95 0.00 0.00 12 K 8.84 3.86 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 13 R 8.04 4.06 0.00 1.79 1.97 0.00 3.31 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 14 R 7.53 4.38 0.00 1.94 1.96 0.00 2.84 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 15 A 8.43 4.80 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 16 E 8.80 4.15 0.00 2.12 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 2.56 2.66 0.00 *18 A 7.85 4.72 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 19 L 9.41 5.20 0.00 1.94 1.96 1.04 0.89 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 20 H 9.36 4.93 0.00 3.28 3.37 0.00 5.80 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 21 G 9.14 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 22 N 9.13 5.01 0.00 2.62 2.88 0.00 0.00 6.67 7.05 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 23 T 8.16 4.86 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 0.86 0.00 0.00 24 V 8.70 4.81 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 0.99 0.00 0.00 0.90 0.00 0.00 25 Y 9.21 5.06 0.00 2.98 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 26 I 8.87 4.66 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.97 0.00 0.00 27 G 8.63 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 0.00 0.00 0.00 0.00 28 G 8.61 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 0.00 0.00 0.00 29 Q 8.66 4.62 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.26 0.00 30 V 7.63 4.43 0.72 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 -0.51 0.00 0.00 0.14 0.00 0.00 31 A 8.06 4.14 1.28 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 0.00 0.00 32 D 8.91 4.43 0.00 2.69 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 33 D 8.41 4.80 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.88 0.00 2.56 2.45 0.00 3.90 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 35 S 8.40 4.22 0.00 4.04 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 36 G 7.72 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 37 D 8.16 4.73 0.00 2.98 2.86 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 38 I 8.21 3.67 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.44 1.02 0.00 0.00 39 Q 8.07 3.98 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.68 0.00 40 D 8.56 4.31 0.00 2.87 2.82 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 41 Q 8.39 3.99 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 42 T 8.24 3.78 4.32 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 1.10 0.00 0.00 43 R 7.91 3.43 0.00 1.98 2.02 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 44 Q 8.16 3.98 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 45 I 7.65 3.62 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.84 0.00 0.00 46 L 7.73 3.81 0.00 0.47 0.69 -0.45 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.52 4.31 0.00 2.09 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 2.65 2.78 0.00 48 N 8.41 4.34 0.00 2.91 2.88 0.00 0.00 7.15 7.28 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 49 I 8.08 3.69 2.05 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 1.54 0.65 0.97 0.00 0.00 50 D 8.37 4.42 0.00 2.98 2.75 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 0.00 0.00 0.00 0.00 51 R 8.01 3.94 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 52 L 8.15 3.92 0.00 1.80 1.68 0.93 0.85 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 53 L 8.14 3.84 0.00 1.79 1.70 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.74 4.38 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 55 S 7.84 4.24 0.00 3.97 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 56 V 6.70 4.06 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 -0.06 0.00 0.00 0.84 0.00 0.00 57 G 8.03 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.88 4.71 0.00 3.79 3.84 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 59 D 7.80 4.80 0.00 2.88 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 60 R 8.57 4.29 0.00 2.09 2.37 0.00 2.63 0.00 0.00 2.74 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 61 G 8.42 3.95 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 0.00 0.00 0.00 62 Q 8.19 4.59 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 63 V 7.78 4.19 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 0.89 0.00 0.00 1.05 0.00 0.00 64 L 9.05 4.68 0.00 1.66 1.62 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.69 5.07 0.00 3.83 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 66 V 8.86 4.88 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 1.06 0.00 0.00 1.19 0.00 0.00 67 R 8.91 4.78 0.00 1.83 1.82 0.00 3.48 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 68 I 8.76 4.52 1.75 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.31 0.86 0.00 0.00 69 L 9.07 4.75 0.00 1.55 1.62 0.93 0.31 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 70 L 8.71 4.80 0.00 1.77 1.64 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.78 4.34 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 72 H 7.87 4.87 0.00 3.19 3.49 0.00 5.64 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 73 R 8.91 3.91 0.00 1.90 1.95 0.00 3.13 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 74 E 8.15 4.18 0.00 2.19 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 2.32 2.36 0.00 75 D 8.21 4.66 0.00 2.99 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 76 Y 8.12 4.17 0.00 3.12 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 77 A 8.15 3.97 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 78 G 8.03 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.92 3.99 0.00 1.79 1.81 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.03 4.34 0.00 2.67 2.72 0.00 0.00 6.70 7.02 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 81 Q 7.96 3.98 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 82 V 7.58 3.79 2.20 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 0.81 0.00 0.00 0.95 0.00 0.00 83 W 8.38 4.17 0.00 3.58 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 84 D 8.72 4.81 0.00 2.88 2.82 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 85 Q 7.78 4.60 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.62 2.32 0.00 86 W 8.09 3.95 0.00 3.20 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 0.00 0.00 0.00 0.00 87 F 7.65 4.50 0.00 2.99 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 88 P 0.00 4.28 0.00 2.18 1.94 0.00 3.81 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 2.13 2.03 0.00 89 E 8.75 3.87 0.00 1.91 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 0.00 2.30 2.35 0.00 90 G 8.91 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 91 R 8.00 4.42 0.00 1.92 1.93 0.00 3.18 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 92 A 7.80 3.26 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 93 P 0.00 4.61 0.00 2.09 1.98 0.00 2.20 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.59 0.00 94 T 8.21 4.26 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 95 R 8.51 5.42 0.00 1.35 1.54 0.00 2.21 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 96 A 8.26 4.54 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 97 C 8.97 5.83 0.00 2.86 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 98 S 8.27 4.68 0.00 3.83 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 99 L 8.36 4.93 0.00 1.52 1.61 0.87 0.73 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 0.00 100 A 8.77 4.70 1.20 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 0.00 0.00 101 E 8.76 4.24 0.00 1.94 1.88 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 2.26 2.32 0.00 102 L 8.17 4.77 0.00 1.88 2.01 1.11 1.00 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 0.00 103 I 8.68 3.72 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.87 0.00 0.00 104 D 6.48 4.25 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 105 P 0.00 4.32 0.00 2.16 2.11 0.00 3.55 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 106 R 8.01 4.09 0.00 1.79 2.05 0.00 3.15 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 107 W 7.66 4.72 0.00 3.50 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 0.00 108 R 9.63 4.59 0.00 1.89 2.03 0.00 3.26 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 109 V 7.45 4.90 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 0.56 0.00 0.00 0.95 0.00 0.00 110 E 8.74 5.21 0.00 1.92 1.78 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 2.12 2.13 0.00 *112 I 8.11 4.25 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.99 0.00 0.00 113 V 8.73 4.89 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 1.05 0.00 0.00 0.99 0.00 0.00 114 V 8.68 4.72 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 0.61 0.00 0.00 0.91 0.00 0.00 115 A 8.99 5.14 1.20 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 0.00 0.00 116 A 8.83 5.13 1.15 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 0.00 0.00 117 R 8.61 4.52 0.00 1.74 1.76 0.00 3.48 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 118 E 8.64 4.12 0.00 1.92 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 2.31 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.