NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.5273 8.0393 120.6678 63.2129 32.8185 174.1594 9 T 4.6040 8.8717 119.0982 59.7110 71.4060 171.9948 10 I 4.6151 8.7238 126.7216 60.2653 39.4036 176.8609 11 V 4.5747 8.6378 128.2721 60.6619 34.9243 174.4608 *13 I 4.4827 8.0741 120.1718 61.3564 38.1163 173.8994 14 E 5.0007 8.9435 126.6857 54.5777 32.7725 175.1901 15 D 4.6223 8.8782 125.0093 54.3847 40.9853 176.4570 16 D 4.4547 8.3143 120.1194 53.6769 41.7915 176.6090 17 L 4.1466 8.6102 128.5159 57.5301 41.5978 179.7556 18 G 3.6647 8.5815 106.3483 48.1616 0.0000 175.6778 19 H 4.3238 8.5206 118.1810 58.3607 28.9430 177.4888 20 A 4.0366 8.4425 123.1238 55.3700 18.0693 179.8723 21 R 3.9498 7.9493 115.8503 58.7166 30.1839 178.9906 22 L 3.8106 7.5356 120.3096 57.8066 42.1444 178.9460 23 I 3.4767 7.9599 120.1545 64.2450 36.9380 177.9669 24 E 3.8505 7.9163 120.1083 59.1990 29.4431 179.0156 25 K 3.9990 7.7736 118.5817 59.6611 32.6217 178.5980 26 N 4.3751 7.9082 116.7648 55.3536 38.4960 177.4270 27 I 3.7445 7.5123 121.4658 64.2499 37.1815 178.5177 28 R 4.1970 7.7105 120.4692 58.5858 29.6586 178.8755 29 R 4.0243 7.9186 117.6998 59.2027 30.0849 177.5526 30 A 4.3413 7.4725 117.8937 52.2938 18.7124 178.0393 31 G 3.8138 8.3891 106.5132 45.0168 0.0000 173.7682 32 V 3.9529 7.6394 120.4485 62.2927 31.5925 175.9551 33 N 4.8696 8.6193 123.5755 52.8094 39.1948 175.0556 34 N 4.4552 8.0097 116.2789 53.1391 39.3549 174.3972 35 E 4.1001 8.6950 119.3425 56.7996 30.9127 175.6132 36 I 4.7941 8.2036 123.1332 59.5146 39.9143 174.3912 37 I 4.0874 8.3276 127.9715 59.0684 39.5901 174.0091 38 A 4.4608 8.0174 131.1061 50.3806 21.1917 175.9074 39 F 4.9642 8.2663 118.7941 55.9929 42.7916 175.5961 40 T 5.2347 9.1831 111.9515 60.9220 69.2230 173.9354 41 D 4.8593 7.6526 121.1444 50.8542 42.6457 176.5063 42 G 3.6966 9.1466 107.6062 47.9765 0.0000 176.2982 43 T 3.8676 8.4041 118.4018 66.8038 68.5480 176.7239 44 S 4.0059 9.2808 116.2436 61.2796 63.0360 176.3313 45 A 2.5848 7.3488 123.0048 54.6418 18.1145 179.6864 46 L 4.1680 8.2455 117.9078 57.6021 41.6317 179.1366 47 N 4.2675 8.2274 117.5118 56.9227 38.6831 176.2243 48 Y 4.0601 7.5721 119.2192 60.8107 38.9751 177.7689 49 L 3.6640 7.6062 118.3859 56.8227 41.9004 178.5029 50 F 4.7210 8.7607 116.4892 55.8422 40.5416 176.7955 51 G 4.2306 8.4256 105.4228 44.7468 0.0000 174.1719 52 D 4.4112 8.4214 117.9878 57.0815 40.8369 177.9464 53 D 4.3853 8.0204 116.7142 53.8663 39.8386 177.0575 54 K 4.0154 7.8386 117.8884 57.0717 30.1208 176.7607 55 S 4.2536 8.9424 115.1643 59.2409 63.4390 175.6066 56 G 4.0610 8.7285 109.9583 45.3282 0.0000 175.4094 57 R 3.6302 7.7137 118.9733 58.9587 30.2544 179.4553 58 V 3.6041 7.6519 110.2281 64.0988 31.7504 177.2922 59 S 4.0937 8.1082 115.1020 59.3568 63.1281 173.8457 60 A 4.6915 6.7124 123.0564 53.2914 18.0806 177.8826 61 G 3.9517 8.7106 111.1030 45.5595 0.0000 173.5542 62 R 4.3139 8.0609 119.1636 55.5747 31.9558 175.7202 63 A 5.2499 8.8426 124.0785 49.6333 20.7406 175.1887 64 Q 5.0487 8.5121 118.1394 55.4191 32.2138 173.9783 65 L 4.9899 8.9611 123.3125 53.4797 45.1554 175.2112 66 V 4.9449 8.4982 118.7447 59.6143 34.5424 174.4469 67 L 4.9966 8.7745 126.4163 53.3712 42.9409 175.9498 68 L 4.8733 8.7432 125.6926 53.2842 45.0793 174.4776 69 D 5.4895 8.6008 125.9581 52.6153 42.4957 177.0894 70 L 4.1716 8.5827 124.5672 56.9537 43.1093 176.2979 71 N 4.7677 8.3108 116.8873 51.6170 37.1789 173.9448 72 L 4.7745 7.6549 121.2548 51.9060 44.3096 175.3279 73 P 4.3997 0.0000 0.0000 64.9712 31.5242 176.8372 74 D 4.6219 7.9113 115.4809 53.4656 40.6891 175.8977 *76 T 4.1946 7.5977 114.8385 61.6466 68.3443 174.6362 77 G 3.7518 8.7608 115.0196 47.6712 0.0000 176.0445 78 I 3.7438 7.7810 121.8533 64.6564 37.1424 177.9120 79 D 4.3745 8.0460 119.1884 56.9922 40.5171 178.9510 80 I 3.7694 7.5954 120.3479 64.0987 37.2196 177.7788 81 L 3.9573 8.1040 121.3153 58.1281 42.0868 178.8751 82 K 3.9372 8.2748 119.6007 59.6854 31.8373 178.7389 83 L 4.0817 8.0127 119.2278 57.7019 41.4043 179.6995 84 V 3.9397 8.1720 119.8044 65.2990 31.3644 177.5687 85 K 4.3649 8.1365 115.1675 57.4595 32.2138 177.8079 86 E 4.4574 7.6527 117.5127 56.2717 31.0466 175.8229 87 N 4.6835 7.6180 118.1716 52.0299 39.8808 173.5791 88 P 4.1712 0.0000 0.0000 66.1645 31.4609 176.6478 89 H 4.8200 8.4992 112.4987 55.8309 28.2561 175.8322 90 T 4.5975 7.5505 108.8604 61.3091 70.7572 176.1244 91 R 4.2924 8.0084 118.0673 58.5305 29.3783 177.8609 92 R 4.0389 7.8450 116.5247 57.7672 30.3787 176.0473 93 S 4.5141 7.7775 115.0896 57.8771 63.4112 172.5471 94 P 4.5842 0.0000 0.0000 62.9736 32.6571 175.2151 95 V 4.7653 8.4765 122.1653 61.0933 34.6584 173.9237 96 V 4.6134 8.8827 128.5131 61.1131 33.5709 174.5302 97 I 4.2239 8.7309 130.6146 61.0939 38.5775 175.2327 98 L 5.1882 9.1881 128.6659 52.2974 43.9128 174.6528 99 T 5.1770 7.4655 119.0195 59.2717 71.4526 174.6331 100 T 3.8584 8.6019 119.6576 66.7488 68.6218 175.8284 101 T 4.1279 7.7087 113.8900 62.5769 67.8324 173.0743 102 D 4.8471 8.3054 122.8750 53.1453 40.6204 174.5873 103 D 4.6232 8.0451 119.6773 53.4433 40.7267 177.0453 104 Q 3.7727 8.6806 122.8765 59.3618 28.9273 179.9821 105 R 3.8964 8.1528 118.3164 59.6896 30.0866 178.8273 106 E 3.9962 8.3131 117.8962 59.3119 29.5270 179.3051 107 I 2.9852 7.4192 119.2118 64.4445 37.1401 178.3044 108 Q 4.1320 8.6561 119.0722 59.0274 28.5096 179.1304 109 R 3.9086 7.9715 119.4238 59.5120 30.0651 178.3409 110 C 4.1306 8.2154 116.5202 63.1384 28.0866 175.7469 111 Y 4.1206 7.9521 118.2087 61.2639 37.2375 178.3896 112 D 4.4339 8.3216 118.9498 57.3453 41.0559 178.3715 113 L 4.2886 8.2905 117.6597 55.3478 41.7486 177.7780 114 G 4.1180 8.0837 107.0796 44.8944 0.0000 174.0144 115 A 4.1052 8.0537 123.4017 52.2593 18.8687 178.0454 116 N 4.7465 8.7108 120.4218 56.0800 39.4323 175.9792 117 V 4.7679 7.5748 116.2546 61.5992 35.5414 172.7574 118 Y 4.9633 8.7262 126.2555 55.8362 41.7709 174.3705 119 I 4.6843 8.6940 127.0483 59.7587 40.7432 174.6932 120 T 4.6750 8.7365 124.3994 62.6330 69.3015 174.8884 121 K 3.5433 9.0844 127.7264 55.9076 32.3896 175.5163 122 P 4.2730 0.0000 0.0000 62.2867 32.1478 176.7923 123 V 3.6067 8.3814 122.4987 65.8973 31.9515 176.7469 124 N 4.4559 8.1041 118.8115 53.5806 39.6365 174.0455 125 Y 4.2551 9.0451 128.9017 61.3262 38.7852 178.2604 126 E 3.9865 8.6172 119.1107 59.5776 29.5382 179.1239 127 N 4.4294 8.3567 116.0743 56.0167 38.7080 177.1265 128 F 4.3034 8.7829 122.3058 61.3232 39.5393 177.0426 129 A 3.6505 8.0983 120.7039 55.1121 18.0824 179.0691 130 N 4.2108 8.5686 115.7730 56.7935 38.9165 176.8975 131 A 4.0125 8.3316 122.3512 55.2617 18.4004 179.7234 132 I 3.6770 7.7314 117.9340 64.3198 37.0882 178.6178 133 R 4.0282 7.8529 119.6880 59.5450 29.9767 178.3863 134 Q 3.9978 8.3492 119.6970 59.0169 28.9601 178.0141 135 L 4.1730 8.2723 121.9186 58.0830 42.2087 179.2241 136 G 3.6473 8.5014 106.1920 47.7377 0.0000 175.7155 137 L 4.1012 7.9983 120.5711 57.5704 41.9162 179.0809 138 F 4.4151 8.3744 120.5667 61.1859 39.1284 176.6546 139 F 4.0792 8.4078 119.6861 61.4781 39.2856 176.9133 140 S 4.1520 7.9624 110.2900 59.6612 62.9093 175.0976 141 V 4.0445 7.2806 121.8289 61.9699 31.9673 174.6649 *143 Q 3.8187 7.5842 114.9384 55.1462 29.5620 174.6300 144 V 4.1561 8.1010 122.9325 60.3827 32.2478 173.4298 145 P 4.6742 0.0000 0.0000 62.4255 33.2142 174.8731 146 E 4.6868 8.4834 119.6763 55.5129 31.0686 176.4960 147 T 4.3536 8.2604 113.4684 60.8748 70.7118 173.7432 148 E 4.2194 8.7522 121.0229 56.2834 31.1609 178.0662 149 G 3.7574 8.4218 108.7386 45.8684 0.0000 173.3168 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 8 V 8.04 4.53 2.25 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 1.22 0.00 0.00 0.94 0.00 0.00 9 T 8.87 4.60 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 1.27 0.00 0.00 10 I 8.72 4.62 1.70 0.00 0.00 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 0.64 0.48 0.74 0.00 0.00 11 V 8.64 4.57 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 1.56 0.00 0.00 1.14 0.00 0.00 *13 I 8.07 4.48 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.98 0.00 0.00 14 E 8.94 5.00 0.00 2.10 1.73 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 2.25 2.50 0.00 15 D 8.88 4.62 0.00 2.84 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 16 D 8.31 4.45 0.00 2.72 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 17 L 8.61 4.15 0.00 1.73 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.58 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.52 4.32 0.00 3.39 3.52 0.00 5.65 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 20 A 8.44 4.04 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 21 R 7.95 3.95 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 22 L 7.54 3.81 0.00 1.46 1.40 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.96 3.48 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.85 0.00 0.00 24 E 7.92 3.85 0.00 2.07 1.87 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 2.23 2.24 0.00 25 K 7.77 4.00 0.00 1.92 1.99 0.00 1.31 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.38 7.81 26 N 7.91 4.38 0.00 2.73 2.80 0.00 0.00 6.89 7.72 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 27 I 7.51 3.74 1.93 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 1.76 1.29 0.77 0.00 0.00 28 R 7.71 4.20 0.00 1.87 1.94 0.00 3.33 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 29 R 7.92 4.02 0.00 1.98 2.05 0.00 3.38 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 30 A 7.47 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.39 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 32 V 7.64 3.95 2.22 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 0.99 0.00 0.00 1.09 0.00 0.00 33 N 8.62 4.87 0.00 2.75 2.82 0.00 0.00 7.18 8.00 0.00 0.00 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 N 8.01 4.46 0.00 2.64 2.96 0.00 0.00 7.03 7.66 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 35 E 8.69 4.10 0.00 1.97 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 2.36 2.30 0.00 36 I 8.20 4.79 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.75 0.77 0.00 0.00 37 I 8.33 4.09 1.55 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.92 0.51 0.00 0.00 38 A 8.02 4.46 1.04 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 39 F 8.27 4.96 0.00 2.97 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 40 T 9.18 5.23 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 1.25 0.00 0.00 41 D 7.65 4.86 0.00 3.06 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 42 G 9.15 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 0.00 0.00 0.00 43 T 8.40 3.87 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 1.20 0.00 0.00 44 S 9.28 4.01 0.00 4.02 4.15 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 45 A 7.35 2.58 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 46 L 8.25 4.17 0.00 1.86 1.88 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.23 4.27 0.00 2.80 2.89 0.00 0.00 6.77 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 48 Y 7.57 4.06 0.00 2.88 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 L 7.61 3.66 0.00 1.61 0.84 0.95 0.80 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 50 F 8.76 4.72 0.00 3.17 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 51 G 8.43 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 0.00 0.00 0.00 0.00 52 D 8.42 4.41 0.00 2.69 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 53 D 8.02 4.39 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 54 K 7.84 4.02 0.00 1.96 1.91 0.00 1.67 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.47 7.81 55 S 8.94 4.25 0.00 3.96 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 56 G 8.73 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 57 R 7.71 3.63 0.00 1.82 1.91 0.00 3.09 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 58 V 7.65 3.60 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 0.64 0.00 0.00 0.83 0.00 0.00 59 S 8.11 4.09 0.00 3.88 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 60 A 6.71 4.69 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 61 G 8.71 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 R 8.06 4.31 0.00 1.90 1.85 0.00 2.93 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 63 A 8.84 5.25 1.25 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 64 Q 8.51 5.05 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 65 L 8.96 4.99 0.00 2.03 1.65 1.10 0.80 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 66 V 8.50 4.94 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 0.72 0.00 0.00 0.99 0.00 0.00 67 L 8.77 5.00 0.00 1.49 1.59 0.91 1.01 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 68 L 8.74 4.87 0.00 1.73 1.44 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.60 5.49 0.00 3.02 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 70 L 8.58 4.17 0.00 1.66 1.71 1.03 0.74 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 71 N 8.31 4.77 0.00 2.71 2.78 0.00 0.00 6.83 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.65 4.77 0.00 1.63 1.59 0.95 1.15 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 73 P 0.00 4.40 0.00 2.19 2.19 0.00 3.75 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 2.00 1.97 0.00 74 D 7.91 4.62 0.00 2.79 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 *76 T 7.60 4.19 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 1.25 0.00 0.00 77 G 8.76 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 78 I 7.78 3.74 1.89 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 1.67 0.64 0.93 0.00 0.00 79 D 8.05 4.37 0.00 2.80 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 80 I 7.60 3.77 2.08 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 1.57 0.61 0.99 0.00 0.00 81 L 8.10 3.96 0.00 1.90 1.94 0.98 0.42 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 82 K 8.27 3.94 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.69 7.81 83 L 8.01 4.08 0.00 1.97 1.44 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.17 3.94 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 1.27 0.00 0.00 1.13 0.00 0.00 85 K 8.14 4.36 0.00 1.96 1.87 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.60 1.76 7.81 86 E 7.65 4.46 0.00 2.20 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 2.28 2.31 0.00 87 N 7.62 4.68 0.00 2.90 3.11 0.00 0.00 7.09 7.41 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 88 P 0.00 4.17 0.00 1.85 2.03 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 2.01 2.12 0.00 89 H 8.50 4.82 0.00 3.22 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.55 4.60 4.08 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 0.80 0.00 0.00 91 R 8.01 4.29 0.00 2.04 2.29 0.00 3.08 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.54 0.00 92 R 7.85 4.04 0.00 1.80 1.99 0.00 3.54 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 93 S 7.78 4.51 0.00 4.02 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 94 P 0.00 4.58 0.00 2.19 2.24 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 95 V 8.48 4.77 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 0.98 0.00 0.00 0.99 0.00 0.00 96 V 8.88 4.61 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 0.93 0.00 0.00 1.02 0.00 0.00 97 I 8.73 4.22 1.32 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.80 0.41 0.00 0.00 98 L 9.19 5.19 0.00 1.60 1.45 0.90 0.88 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 99 T 7.47 5.18 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 1.08 0.00 0.00 100 T 8.60 3.86 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 0.00 101 T 7.71 4.13 4.28 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 1.33 0.00 0.00 102 D 8.31 4.85 0.00 2.78 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 0.00 103 D 8.05 4.62 0.00 2.85 2.83 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 0.00 104 Q 8.68 3.77 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 105 R 8.15 3.90 0.00 2.04 2.01 0.00 3.12 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 106 E 8.31 4.00 0.00 2.14 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 0.00 2.34 2.58 0.00 107 I 7.42 2.99 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.16 0.82 0.00 0.00 108 Q 8.66 4.13 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 109 R 7.97 3.91 0.00 2.18 2.07 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 110 C 8.22 4.13 0.00 3.17 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 0.00 111 Y 7.95 4.12 0.00 3.26 2.98 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 0.00 112 D 8.32 4.43 0.00 2.84 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 0.00 113 L 8.29 4.29 0.00 1.86 1.75 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.08 4.12 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 0.00 0.00 0.00 115 A 8.05 4.11 1.07 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 0.00 0.00 116 N 8.71 4.75 0.00 2.87 2.99 0.00 0.00 6.71 7.83 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 0.00 117 V 7.57 4.77 2.16 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 0.91 0.00 0.00 1.09 0.00 0.00 118 Y 8.73 4.96 0.00 2.54 2.72 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 0.00 0.00 0.00 119 I 8.69 4.68 1.81 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 1.26 0.98 0.90 0.00 0.00 120 T 8.74 4.68 4.30 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 1.27 0.00 0.00 121 K 9.08 3.54 0.00 1.23 0.84 0.00 1.62 0.00 0.00 1.45 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.12 1.29 7.81 122 P 0.00 4.27 0.00 2.12 1.96 0.00 3.31 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 123 V 8.38 3.61 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 0.78 0.00 0.00 0.92 0.00 0.00 124 N 8.10 4.46 0.00 2.84 2.75 0.00 0.00 6.72 7.56 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 0.00 125 Y 9.05 4.26 0.00 3.12 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 0.00 126 E 8.62 3.99 0.00 2.12 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 2.43 2.57 0.00 127 N 8.36 4.43 0.00 2.92 2.90 0.00 0.00 6.74 8.13 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 0.00 128 F 8.78 4.30 0.00 3.17 2.90 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 0.00 129 A 8.10 3.65 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 0.00 130 N 8.57 4.21 0.00 2.81 3.06 0.00 0.00 7.15 7.88 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 0.00 131 A 8.33 4.01 1.45 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 0.00 0.00 132 I 7.73 3.68 1.90 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.86 0.00 0.00 133 R 7.85 4.03 0.00 2.02 2.16 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 134 Q 8.35 4.00 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 135 L 8.27 4.17 0.00 1.98 1.94 0.93 1.40 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 0.00 136 G 8.50 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 0.00 137 L 8.00 4.10 0.00 1.89 1.83 0.98 0.80 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 0.00 138 F 8.37 4.42 0.00 3.27 3.32 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 0.00 139 F 8.41 4.08 0.00 3.17 3.38 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 0.00 140 S 7.96 4.15 0.00 4.08 4.08 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 0.00 141 V 7.28 4.04 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 0.72 0.00 0.00 0.96 0.00 0.00 *143 Q 7.58 3.82 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 144 V 8.10 4.16 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 0.90 0.00 0.00 0.81 0.00 0.00 145 P 0.00 4.67 0.00 2.15 2.15 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.00 0.00 146 E 8.48 4.69 0.00 1.87 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 0.00 2.27 2.29 0.00 147 T 8.26 4.35 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 1.29 0.00 0.00 148 E 8.75 4.22 0.00 1.96 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 2.39 2.39 0.00 149 G 8.42 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.