NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2517 8.4449 121.4653 55.4754 31.7400 175.7867 7 R 4.4606 7.3608 116.4402 53.1534 32.5876 175.3636 8 L 3.8407 8.2018 122.2252 58.1485 42.8003 178.9679 9 S 4.1823 8.2196 114.0800 61.6990 62.4085 176.4711 10 G 3.7398 7.8408 106.5461 45.9313 0.0000 174.4567 11 L 4.6940 7.7920 119.5362 54.3783 42.7492 176.3941 12 T 4.6399 7.5089 109.6323 60.9707 68.8711 175.2879 13 D 4.6291 8.0028 123.0845 54.2263 40.2698 175.2695 14 V 3.7304 8.0715 119.4605 64.0370 31.7622 177.2984 15 D 4.4785 8.2453 117.4298 57.3174 41.1585 177.9820 16 E 3.9907 8.4812 119.0512 59.1026 29.3352 179.3655 17 V 3.6369 7.5814 117.8728 66.2263 31.5494 178.2631 18 I 3.7981 7.9658 119.4833 64.0876 36.9162 178.5014 19 K 3.9374 8.3120 119.5800 59.7077 31.9742 179.1129 20 D 4.3561 8.2199 118.9653 57.1201 40.6602 178.4043 21 L 3.9551 8.2536 121.2223 58.4824 42.0816 179.2287 22 S 4.1037 8.2704 115.0480 61.5462 62.7542 176.7227 23 R 3.8737 8.0993 121.2840 59.3605 29.8603 178.3255 24 L 3.9476 7.9975 120.0384 58.0807 42.0911 178.7514 25 L 3.9597 8.1267 119.0983 58.1334 41.3977 179.8702 26 R 3.9815 7.9316 116.4156 59.1620 30.0151 179.0056 27 K 4.1589 8.0142 117.5648 58.6825 32.1319 178.5984 28 L 4.4561 7.6629 118.0099 54.4897 42.3136 177.0849 29 V 4.4016 7.4860 117.7706 60.3990 34.1926 174.9910 30 K 4.1533 8.7686 127.3214 56.8556 32.3184 176.2354 31 T 4.6842 8.0203 112.9169 60.3898 71.4058 174.0379 32 R 4.2401 9.1239 125.1661 59.0232 30.7153 176.1162 33 W 5.4308 7.3234 113.4600 55.6956 31.9311 173.0449 34 I 5.5177 9.1791 120.2298 59.6473 40.8746 174.5443 35 A 4.7680 9.6956 128.0811 50.1392 22.0847 174.7520 36 V 4.9456 8.9924 123.2384 61.4822 34.2221 174.1871 37 Y 5.1973 9.1692 124.1300 56.3574 42.3118 174.3695 38 F 5.7307 9.1045 120.5216 56.0287 42.1238 174.6571 39 F 4.6934 9.1332 125.4058 56.4527 39.9376 174.2742 40 D 4.7407 8.1603 131.6147 54.0500 38.9763 180.3431 *43 R 4.0370 8.5719 128.5718 56.0698 31.2935 175.6152 44 R 3.8383 8.6067 116.1303 56.2381 29.1769 174.0907 45 D 4.8777 6.9137 114.7556 52.1943 43.6380 173.2332 46 F 5.2230 9.4887 117.4418 56.2476 40.7456 175.2115 47 A 5.2128 9.3156 126.4362 49.3416 21.3406 174.2888 48 P 3.4905 0.0000 0.0000 63.0277 31.3951 174.8615 49 A 4.5828 8.7698 124.8915 52.8307 20.6923 176.5337 50 R 4.7923 7.6231 113.7979 55.2855 33.5303 173.3356 51 S 4.9565 8.4097 119.2387 56.8260 66.3991 173.3033 52 T 4.4417 8.6422 116.9831 63.2373 72.4854 175.2752 53 G 4.1042 9.2228 113.9506 45.3324 0.0000 173.4928 54 L 4.0358 7.3856 118.9825 53.3908 42.4528 175.2095 55 P 4.3594 0.0000 0.0000 62.6250 32.2421 177.2816 56 A 4.0263 8.8984 124.3757 55.5930 17.9339 180.2283 57 S 3.9969 7.9245 111.0320 60.9411 63.2456 175.6430 58 F 4.6450 8.2053 120.1495 57.7199 39.0447 177.3812 59 L 4.0108 7.7439 121.0796 57.8275 41.7689 177.0139 60 P 4.3019 0.0000 0.0000 65.3133 30.7225 178.7894 61 V 3.6383 7.7869 116.7175 65.9444 31.3987 177.3457 62 F 4.1458 8.1623 119.0816 61.7896 39.2616 177.2806 63 R 3.6992 8.0437 115.7057 57.8916 29.9236 177.7133 64 E 4.6733 7.6307 115.0534 55.6071 30.7896 176.1763 65 M 4.3697 7.2410 119.3375 52.3770 32.9748 173.1081 66 P 4.7569 0.0000 0.0000 62.6539 33.0186 175.7467 67 L 4.6854 9.0724 121.0732 53.1332 44.2162 175.4074 68 A 4.8925 8.4783 126.6860 49.8655 20.1995 175.5483 69 P 4.4066 0.0000 0.0000 66.2775 31.2426 178.3013 70 D 4.5163 8.2295 115.7205 56.0963 40.8674 177.4332 71 K 4.7464 8.2945 117.6352 55.3570 34.1252 176.0398 72 I 4.4205 7.2793 119.6635 57.9816 38.3889 173.8591 73 P 4.2611 0.0000 0.0000 65.5119 31.0840 177.8986 74 L 3.9055 8.1509 119.1254 58.2730 41.8765 178.9234 75 L 3.9618 8.0301 120.1033 57.7354 41.9874 178.7188 76 K 3.9947 8.0170 119.2541 59.5297 32.2122 178.8365 77 S 4.0807 8.3352 115.6389 61.6940 62.8012 176.1094 78 M 4.0752 8.2470 121.1683 58.6917 31.7227 177.9798 79 L 3.9154 7.7897 118.7498 58.2935 42.3706 178.8373 80 R 4.0478 7.9573 116.7581 59.0889 30.1414 178.7082 81 K 4.1553 8.1024 116.0037 56.0755 32.6345 176.9755 82 R 3.8982 7.9919 117.0044 57.2099 28.1268 175.8154 83 Q 4.6482 7.7293 113.3981 53.9122 33.0131 174.9985 84 H 4.7207 8.5733 115.2893 55.9279 29.6802 174.5581 85 L 4.8410 8.8488 118.8833 53.2901 46.3015 174.9906 86 M 5.2262 8.6122 120.6650 53.8139 35.3027 174.3223 87 L 4.7994 9.1271 126.5866 53.4937 43.3869 177.2957 88 T 4.3602 8.7218 113.8144 62.4440 70.1157 174.8517 89 D 4.7509 7.4511 121.4014 52.2820 41.6617 173.2963 90 P 4.2502 0.0000 0.0000 65.1156 32.3249 179.1586 91 G 3.9966 8.2108 106.5332 48.8105 0.0000 174.1969 92 S 4.6415 7.6503 111.9845 57.5168 63.5906 173.2238 93 S 4.6296 7.9704 117.0057 57.1925 62.9243 174.6709 94 D 4.5887 8.6267 126.9757 55.3724 39.6857 176.9065 95 L 4.2383 7.9653 119.5854 55.5359 41.8601 176.1477 96 L 5.0559 6.9971 117.0936 52.4098 44.7715 176.9519 97 T 4.0529 8.0741 116.4477 62.9151 70.1855 173.6878 98 P 4.2213 0.0000 0.0000 65.8393 31.4183 178.6310 99 K 3.8377 8.1340 117.6103 59.8698 31.9763 178.5372 100 L 4.0268 7.7181 118.3880 57.6475 41.5345 179.1925 101 R 3.9307 8.3535 118.5210 59.3218 29.8515 179.3022 102 K 4.0239 7.8829 117.8811 59.4787 31.9696 179.3541 103 L 3.9783 7.7297 117.8849 57.1326 41.7858 178.7245 104 L 4.6702 7.8157 116.5961 54.3269 41.7479 178.5045 105 R 4.0258 7.6291 118.1748 59.2002 29.5398 177.0798 106 N 4.8583 8.1320 114.0423 52.9645 39.6061 174.5214 107 L 5.1898 7.8565 118.6467 52.9560 45.4250 175.4451 108 C 4.6201 9.2853 123.5074 58.3047 33.3545 172.3637 109 V 4.8308 9.0414 126.3774 61.0392 34.1610 173.5592 110 L 5.0292 8.9535 130.3651 53.3458 44.1821 174.6107 111 A 4.7835 9.1706 128.7881 50.2306 21.4359 175.2118 112 V 4.5192 8.2183 123.7424 60.5491 33.8336 173.3029 113 P 4.6758 0.0000 0.0000 62.9608 32.6279 176.1644 114 M 4.3725 9.0655 123.0379 54.6978 32.7323 175.4358 115 V 4.7456 8.3351 123.6167 60.7084 34.2131 174.8796 116 V 4.3276 8.4286 126.3194 61.7505 34.6932 176.7826 117 R 3.7640 8.7374 128.6111 57.8867 28.7819 177.6759 118 T 4.3938 9.0383 116.5806 62.2709 69.8591 174.2299 119 Q 4.5348 8.0143 122.5408 54.2239 30.6937 174.6398 120 V 4.4399 8.1938 122.0555 61.8313 32.2323 175.4930 121 I 4.4431 9.0510 120.4261 59.9268 38.5182 175.1617 122 G 4.6158 7.5014 106.9615 47.3394 0.0000 171.1912 123 A 5.0535 8.6558 120.0898 50.4344 23.1339 175.7268 124 V 4.6110 8.5828 120.9711 61.0836 34.2726 174.2686 125 F 5.4146 9.3919 127.0949 56.0995 41.5851 174.6724 126 M 5.3049 9.0449 121.9407 53.4792 35.8874 174.4434 127 A 5.1298 8.4264 123.4699 50.1489 22.8057 175.0652 128 R 4.7946 8.4002 116.1186 54.2900 33.8950 174.5469 129 T 4.4750 8.2063 109.6812 61.7442 69.6985 175.6723 130 R 4.0792 8.8851 123.0109 58.1018 30.2435 177.5704 131 D 4.4680 7.8568 116.5209 54.7282 40.0456 176.3390 132 N 4.6523 7.5464 117.3563 51.4718 39.6018 173.2259 133 P 4.3082 0.0000 0.0000 61.6122 31.9876 174.9749 134 P 4.2107 0.0000 0.0000 62.2270 31.7704 176.1133 135 F 4.2855 8.2978 118.1970 58.1102 39.2507 176.4951 136 S 4.5396 9.1894 121.0970 57.6434 65.3295 175.1094 137 D 4.3499 8.6050 121.6705 57.4788 40.3957 178.9498 138 A 3.9946 7.9481 120.6617 55.2494 18.4778 179.3945 139 E 3.9516 8.2325 117.0395 59.9734 29.5348 179.7788 140 T 3.7755 8.3744 115.9500 66.3123 68.4366 176.5592 141 A 3.9303 8.1118 122.7711 55.1622 18.4136 179.6424 142 I 3.5967 7.4164 118.3025 64.5903 37.1574 178.5067 143 I 3.6130 7.6862 120.3778 64.6628 36.9864 178.6299 144 R 3.8210 8.2074 118.9611 59.2588 29.7800 178.8440 145 D 4.2355 8.0223 118.4821 57.4870 40.8996 178.9796 146 L 3.8539 7.8912 119.3561 57.7183 41.5175 179.8067 147 V 3.6006 7.9561 118.4064 66.0774 31.5414 178.3440 148 S 4.1387 8.1910 115.0222 61.6430 62.7351 176.3158 149 H 4.2428 8.3481 118.9742 58.9460 28.4418 177.6938 150 A 4.0498 8.2098 122.2734 55.0631 18.1101 179.4645 151 A 4.0080 8.4117 119.7214 55.2380 18.4507 179.6500 152 L 3.8060 7.8300 118.3491 58.1079 42.1842 179.2989 153 V 3.5598 7.6201 117.7231 66.1392 31.5492 178.1291 154 V 3.6552 8.1870 118.5687 65.9475 31.4268 178.1000 155 S 4.0979 8.3395 114.2510 61.7880 62.6231 176.0241 156 H 4.2343 7.9763 118.8931 58.9752 28.7666 177.3739 157 M 4.4317 8.2096 120.2430 58.6336 31.6544 178.8336 158 Q 4.1018 8.4592 116.8529 58.1275 28.9062 177.9609 159 L 3.8524 7.4795 119.5414 57.0919 41.5888 177.1788 160 F 4.4339 7.8494 121.2589 57.4888 39.0628 175.4629 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 4.25 0.00 1.93 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 0.00 2.17 2.27 0.00 7 R 7.36 4.46 0.00 1.95 1.76 0.00 3.17 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 8 L 8.20 3.84 0.00 1.61 1.54 0.42 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.22 4.18 0.00 4.07 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 10 G 7.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.79 4.69 0.00 1.60 1.64 0.84 0.82 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 12 T 7.51 4.64 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 1.19 0.00 0.00 13 D 8.00 4.63 0.00 2.75 2.63 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 14 V 8.07 3.73 2.18 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 0.79 0.00 0.00 0.97 0.00 0.00 15 D 8.25 4.48 0.00 2.88 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 16 E 8.48 3.99 0.00 2.09 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 2.46 2.48 0.00 17 V 7.58 3.64 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 1.18 0.00 0.00 1.01 0.00 0.00 18 I 7.97 3.80 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.79 0.87 0.00 0.00 19 K 8.31 3.94 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 20 D 8.22 4.36 0.00 2.86 2.73 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 21 L 8.25 3.96 0.00 1.80 1.91 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.27 4.10 0.00 3.90 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 23 R 8.10 3.87 0.00 1.90 2.18 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 24 L 8.00 3.95 0.00 1.92 1.79 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.13 3.96 0.00 1.85 1.69 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.93 3.98 0.00 1.88 2.02 0.00 3.22 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 27 K 8.01 4.16 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 L 7.66 4.46 0.00 1.64 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.49 4.40 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 0.99 0.00 0.00 0.95 0.00 0.00 30 K 8.77 4.15 0.00 1.75 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.43 7.81 31 T 8.02 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 1.40 0.00 0.00 32 R 9.12 4.24 0.00 1.68 1.85 0.00 3.26 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 33 W 7.32 5.43 0.00 3.44 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 34 I 9.18 5.52 1.94 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 1.22 0.91 0.96 0.00 0.00 35 A 9.70 4.77 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 36 V 8.99 4.95 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 0.68 0.00 0.00 0.91 0.00 0.00 37 Y 9.17 5.20 0.00 3.16 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 38 F 9.10 5.73 0.00 3.09 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 39 F 9.13 4.69 0.00 2.67 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 40 D 8.16 4.74 0.00 2.71 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 0.00 0.00 0.00 *43 R 8.57 4.04 0.00 1.67 1.96 0.00 3.27 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 44 R 8.61 3.84 0.00 1.96 2.06 0.00 3.49 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 45 D 6.91 4.88 0.00 3.05 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.49 5.22 0.00 3.12 3.21 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 0.00 0.00 0.00 0.00 47 A 9.32 5.21 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 48 P 0.00 3.49 0.00 1.02 0.49 0.00 3.69 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 1.76 1.73 0.00 49 A 8.77 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.62 4.79 0.00 1.87 1.69 0.00 3.12 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 51 S 8.41 4.96 0.00 3.24 2.63 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 52 T 8.64 4.44 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 1.22 0.00 0.00 53 G 9.22 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 54 L 7.39 4.04 0.00 1.49 1.48 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.36 0.00 2.46 2.12 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 56 A 8.90 4.03 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 57 S 7.92 4.00 0.00 3.66 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 58 F 8.21 4.64 0.00 3.14 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 59 L 7.74 4.01 0.00 1.78 1.75 0.93 1.04 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 60 P 0.00 4.30 0.00 2.20 2.08 0.00 3.78 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 2.08 2.13 0.00 61 V 7.79 3.64 2.45 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 1.12 0.00 0.00 1.05 0.00 0.00 62 F 8.16 4.15 0.00 2.91 3.23 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 63 R 8.04 3.70 0.00 1.82 1.91 0.00 3.20 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 64 E 7.63 4.67 0.00 2.05 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 2.49 2.27 0.00 65 M 7.24 4.37 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 66 P 0.00 4.76 0.00 2.29 2.08 0.00 3.77 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 2.01 2.01 0.00 67 L 9.07 4.69 0.00 1.55 1.52 -0.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.48 4.89 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 69 P 0.00 4.41 0.00 2.30 2.29 0.00 3.87 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 70 D 8.23 4.52 0.00 2.68 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 71 K 8.29 4.75 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.61 7.81 72 I 7.28 4.42 1.87 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 1.28 1.03 0.87 0.00 0.00 73 P 0.00 4.26 0.00 2.15 2.12 0.00 3.74 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 2.16 0.00 74 L 8.15 3.91 0.00 1.89 1.67 0.93 0.50 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 75 L 8.03 3.96 0.00 1.79 1.78 0.62 0.43 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 76 K 8.02 3.99 0.00 2.13 1.94 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.57 7.81 77 S 8.34 4.08 0.00 4.04 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 78 M 8.25 4.08 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 79 L 7.79 3.92 0.00 1.82 1.93 0.45 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.96 4.05 0.00 1.81 1.97 0.00 3.37 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 81 K 8.10 4.16 0.00 1.80 1.84 0.00 1.97 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 82 R 7.99 3.90 0.00 1.92 1.99 0.00 3.35 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 83 Q 7.73 4.65 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 84 H 8.57 4.72 0.00 3.23 3.23 0.00 5.47 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.85 4.84 0.00 1.55 1.51 0.93 0.56 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 86 M 8.61 5.23 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 87 L 9.13 4.80 0.00 1.60 1.57 0.93 0.49 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 88 T 8.72 4.36 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 89 D 7.45 4.75 0.00 2.70 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 90 P 0.00 4.25 0.00 2.34 2.08 0.00 3.68 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 2.33 2.09 0.00 91 G 8.21 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 92 S 7.65 4.64 0.00 3.94 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 93 S 7.97 4.63 0.00 3.87 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 94 D 8.63 4.59 0.00 2.82 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 95 L 7.97 4.24 0.00 1.76 1.81 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.00 5.06 0.00 1.64 1.53 0.90 0.86 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 97 T 8.07 4.05 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 1.26 0.00 0.00 98 P 0.00 4.22 0.00 2.15 2.12 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 99 K 8.13 3.84 0.00 1.82 1.82 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.57 7.81 100 L 7.72 4.03 0.00 1.82 1.65 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.35 3.93 0.00 1.98 2.15 0.00 3.12 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 102 K 7.88 4.02 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 103 L 7.73 3.98 0.00 1.77 1.61 1.00 1.00 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 0.00 104 L 7.82 4.67 0.00 1.73 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.63 4.03 0.00 1.88 2.36 0.00 3.07 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 106 N 8.13 4.86 0.00 2.71 2.86 0.00 0.00 6.93 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.86 5.19 0.00 1.59 1.39 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 108 C 9.29 4.62 0.00 2.87 2.73 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 0.00 109 V 9.04 4.83 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 1.03 0.00 0.00 0.90 0.00 0.00 110 L 8.95 5.03 0.00 1.48 0.91 0.87 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 111 A 9.17 4.78 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 0.00 112 V 8.22 4.52 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 0.85 0.00 0.00 0.76 0.00 0.00 113 P 0.00 4.68 0.00 2.09 1.99 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 114 M 9.07 4.37 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 115 V 8.34 4.75 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 0.82 0.00 0.00 0.92 0.00 0.00 116 V 8.43 4.33 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 0.94 0.00 0.00 0.98 0.00 0.00 117 R 8.74 3.76 0.00 1.99 1.24 0.00 3.25 0.00 0.00 3.28 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 118 T 9.04 4.39 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 0.00 119 Q 8.01 4.53 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 120 V 8.19 4.44 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 0.89 0.00 0.00 0.88 0.00 0.00 121 I 9.05 4.44 1.95 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 1.46 1.19 0.95 0.00 0.00 122 G 7.50 4.62 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 0.00 123 A 8.66 5.05 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.58 4.61 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 1.01 0.00 0.00 0.88 0.00 0.00 125 F 9.39 5.41 0.00 3.30 3.11 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 0.00 126 M 9.04 5.30 0.00 1.67 1.40 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 127 A 8.43 5.13 -0.56 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 0.00 0.00 128 R 8.40 4.79 0.00 1.67 1.87 0.00 2.50 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.11 0.00 129 T 8.21 4.48 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 1.18 0.00 0.00 130 R 8.89 4.08 0.00 1.76 1.99 0.00 3.30 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 131 D 7.86 4.47 0.00 2.75 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 0.00 132 N 7.55 4.65 0.00 2.78 2.63 0.00 0.00 6.98 7.96 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 0.00 133 P 0.00 4.31 0.00 1.94 1.92 0.00 3.58 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 1.96 2.01 0.00 134 P 0.00 4.21 0.00 2.17 2.02 0.00 3.72 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 1.96 1.96 0.00 135 F 8.30 4.29 0.00 3.03 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 0.00 136 S 9.19 4.54 0.00 4.05 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 0.00 137 D 8.61 4.35 0.00 2.79 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 0.00 138 A 7.95 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.23 3.95 0.00 2.29 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 2.38 2.39 0.00 140 T 8.37 3.78 4.19 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 0.97 0.00 0.00 141 A 8.11 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.42 3.60 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.90 0.00 0.00 143 I 7.69 3.61 1.86 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 1.42 0.62 0.75 0.00 0.00 144 R 8.21 3.82 0.00 1.92 1.91 0.00 2.76 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 145 D 8.02 4.24 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.89 3.85 0.00 1.64 1.69 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.96 3.60 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 1.08 0.00 0.00 0.93 0.00 0.00 148 S 8.19 4.14 0.00 4.03 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 0.00 149 H 8.35 4.24 0.00 3.33 3.34 0.00 5.64 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 0.00 150 A 8.21 4.05 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 0.00 151 A 8.41 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.83 3.81 0.00 1.79 1.86 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.62 3.56 2.26 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 0.99 0.00 0.00 0.98 0.00 0.00 154 V 8.19 3.66 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 0.84 0.00 0.00 1.14 0.00 0.00 155 S 8.34 4.10 0.00 4.06 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 0.00 156 H 7.98 4.23 0.00 3.36 3.47 0.00 5.68 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 0.00 157 M 8.21 4.43 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.65 0.00 158 Q 8.46 4.10 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 159 L 7.48 3.85 0.00 1.32 1.20 0.81 0.62 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 0.00 160 F 7.85 4.43 0.00 3.20 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 * Residues marked with a * may have inaccurate shift predictions.