NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 5.1887 8.2798 120.2712 62.3164 32.6900 174.3487 9 T 4.7011 8.5865 115.3025 59.3155 72.5243 171.3557 10 I 4.7542 8.6169 123.6823 59.8722 40.0712 177.0363 11 V 4.8617 8.6663 127.8870 60.6339 34.7983 174.4789 *13 I 4.5348 8.0435 120.9083 61.3077 38.1738 174.3382 14 E 4.9649 9.0786 127.6394 54.6087 32.7430 175.3927 15 D 4.5458 8.8778 124.8607 54.3902 40.9286 176.4566 16 D 4.4904 8.2425 120.2594 53.4695 41.6853 176.6654 17 L 4.0856 8.5985 128.4028 57.4372 41.7696 179.8125 18 G 3.5736 8.5147 106.2905 48.1417 0.0000 175.6453 19 H 4.2215 8.5207 118.4969 58.2650 28.8333 177.2947 20 A 3.9725 8.2740 122.9699 55.6760 18.1263 180.0298 21 R 3.9577 7.9793 115.7417 58.5179 30.0785 179.1992 22 L 3.7976 7.5951 120.4631 57.9963 42.1050 178.7451 23 I 3.4367 8.0265 120.0121 64.3094 37.2036 177.7844 24 E 3.8223 7.9981 120.1780 59.3776 29.4415 179.1620 25 K 4.0243 7.7827 118.2727 59.8588 32.4776 178.6674 26 N 4.4008 7.9051 116.5104 55.4190 38.7253 177.1662 27 I 3.8751 7.5358 121.9788 64.3190 37.1634 178.4508 28 R 4.2039 7.6483 119.8261 58.8312 29.6677 179.3428 29 R 3.9532 7.9288 116.5120 58.5412 30.1118 178.0639 30 A 4.3052 7.6554 118.8267 52.5865 18.8250 178.1472 31 G 3.9046 8.1044 106.1846 44.6953 0.0000 174.1598 32 V 3.8541 7.6328 120.6434 62.9880 31.9927 175.6402 33 N 5.0750 8.6412 122.7756 52.9369 39.3849 174.4569 34 N 4.5539 7.9909 115.7076 52.8768 39.4407 174.3621 35 E 4.0791 8.6713 122.0295 56.5594 31.0635 175.4491 36 I 4.8043 8.2631 126.7896 59.6953 39.8219 174.8360 37 I 4.1201 8.6461 129.1162 59.5474 38.6154 174.8717 38 A 4.6471 7.9813 128.5511 50.0351 21.8491 175.5150 39 F 4.7566 8.2563 117.3745 55.8012 43.2935 175.4097 40 T 5.0459 8.9138 111.6191 60.4734 68.7197 173.5643 41 D 4.7137 7.5815 120.2939 51.4425 42.0932 176.4503 42 G 3.6420 9.4597 107.8446 47.9908 0.0000 176.2866 43 T 3.8741 8.9378 118.6522 66.7214 68.4269 176.8247 44 S 4.1311 9.4206 116.6485 61.3410 62.9916 176.3122 45 A 2.5800 7.5170 123.3633 54.4523 18.0999 179.6482 46 L 4.1729 8.1720 117.8658 57.9878 41.6142 179.3980 47 N 4.4888 8.1018 116.5456 56.2684 38.1753 176.9337 48 Y 3.9748 7.2014 120.2236 60.7621 39.0504 177.4835 49 L 3.7244 7.8860 118.5531 56.7085 42.0024 178.4521 50 F 4.6533 8.8849 116.1736 55.5110 40.4083 176.7842 51 G 4.2183 7.9232 105.4698 44.6868 0.0000 174.1210 52 D 4.3862 8.7464 118.3961 57.4359 40.6655 177.9323 53 D 4.5761 8.0945 114.6102 52.5305 39.6896 176.2756 54 K 4.0314 8.5135 117.4581 57.3417 30.7858 176.2175 55 S 4.2029 8.9099 114.5554 59.7316 63.1057 175.7353 56 G 4.0042 8.6677 109.4603 45.0427 0.0000 175.3540 57 R 3.9079 7.6710 118.8770 59.1445 30.1661 179.1804 58 V 3.6399 7.6129 109.6308 63.5135 31.7679 176.9143 59 S 4.1813 8.1665 115.3237 58.4619 63.2580 173.6531 60 A 4.5397 6.8862 123.7405 53.5527 17.9961 177.9628 61 G 4.0005 8.6338 111.9981 45.3820 0.0000 173.6512 62 R 4.1224 8.1190 119.7205 56.0954 31.5907 175.8296 63 A 5.2175 8.9173 124.9791 49.6975 20.2662 175.2608 64 Q 5.1165 8.4517 117.5727 55.3958 32.4517 174.0952 65 L 5.0281 8.9149 121.8565 53.4243 45.6926 175.3143 66 V 4.9789 8.6675 118.6159 59.6264 34.4761 174.4422 67 L 5.0033 8.8541 126.0529 53.2099 43.4341 175.9701 68 L 4.7795 8.6480 125.0817 53.2235 45.1083 174.8185 69 D 5.2466 8.8398 127.2257 53.6905 41.5087 176.3983 70 L 4.1213 8.4741 125.6546 57.2407 43.0983 176.2894 71 N 4.9367 8.4006 116.0483 52.0230 37.5469 174.0184 72 L 4.8722 7.8912 122.4336 51.7557 44.8855 175.5747 73 P 4.3704 0.0000 0.0000 65.7510 31.3968 177.1774 74 D 4.4833 7.8768 115.1876 53.6148 40.3587 175.9056 *76 T 4.0829 7.5825 114.8439 61.6163 68.4430 174.5113 77 G 3.7622 8.9111 114.8799 48.0672 0.0000 176.0011 78 I 3.7655 7.6105 121.8098 64.4646 36.9636 178.1329 79 D 4.3496 8.1285 119.7051 57.4787 40.5810 178.8735 80 I 3.7229 7.7185 119.8241 64.0955 37.0437 178.0932 81 L 3.9616 7.9639 121.2096 58.1326 41.8611 179.2007 82 K 3.9691 8.1613 118.3678 59.4389 32.1228 179.2314 83 L 3.9569 8.1330 119.4374 57.8228 41.5783 179.8583 84 V 3.9205 8.0992 119.5206 65.5395 31.4173 177.6973 85 K 4.3494 8.1830 114.8653 57.5591 32.0540 178.0416 86 E 4.3799 7.6927 119.1196 56.9982 30.8024 176.3676 87 N 4.5359 7.7901 118.2351 52.6452 39.4432 173.8882 88 P 4.3133 0.0000 0.0000 65.1069 31.6665 176.9872 89 H 4.7975 7.9943 114.7254 55.8617 29.1063 175.1705 90 T 4.5117 7.4969 108.1787 61.5797 70.7804 175.9512 91 R 4.2948 8.2963 118.1819 58.4143 29.1525 177.7177 92 R 4.0696 7.8472 116.1864 57.7678 30.4451 176.1958 93 S 4.4815 8.0824 115.4905 57.9799 63.5753 172.3981 94 P 4.5498 0.0000 0.0000 62.9163 32.5635 175.0729 95 V 4.7417 8.5208 124.2159 61.0343 34.0365 174.0429 96 V 4.7603 8.9826 128.5402 61.1335 33.7403 174.4801 97 I 4.2455 8.8440 130.3150 61.0083 38.3779 175.0611 98 L 4.9418 8.7344 128.6976 53.3004 43.6492 174.6734 99 T 4.8582 8.3569 119.3369 60.1055 71.4387 174.7258 100 T 3.7526 8.6385 120.0976 66.7846 68.6038 175.6176 101 T 4.0973 7.7794 114.4125 62.2637 67.8491 172.9812 102 D 5.0042 8.2975 124.9234 51.5991 40.1543 175.8199 103 D 4.3810 8.3151 120.3845 55.0541 41.5790 175.7289 104 Q 3.8861 8.8056 127.6674 59.3470 28.7055 179.3628 105 R 3.8875 8.1925 119.5071 59.4720 30.1198 178.5006 106 E 4.0424 8.1855 117.9602 59.1758 29.5203 179.2991 107 I 2.9920 7.6168 119.9528 64.2543 37.0926 178.3547 108 Q 4.0949 8.3187 119.2543 59.0864 28.5666 178.9672 109 R 3.9060 8.0891 119.5422 59.7350 30.0857 178.3583 110 C 4.1823 8.1631 116.4402 63.0336 28.0447 175.7591 111 Y 4.0549 8.0735 118.3064 61.2503 37.2673 178.2630 112 D 4.4306 8.3406 118.8883 57.1942 41.0059 178.1975 113 L 4.3282 7.7212 117.4095 55.1062 41.7960 177.6060 114 G 4.1469 8.0111 107.7219 45.0675 0.0000 173.9775 115 A 4.1318 7.8459 122.7010 52.1233 18.9275 178.2003 116 N 4.7571 8.8642 120.2010 55.8769 39.5263 176.2221 117 V 4.7495 7.6212 116.8507 61.4283 35.4881 172.8875 118 Y 4.9086 8.8839 127.5602 55.8107 41.3620 174.5174 119 I 4.7656 8.4971 126.8064 59.8622 40.8250 174.4555 120 T 4.8120 8.5856 123.5217 62.3285 70.1123 174.2383 121 K 3.9070 8.8850 127.1881 55.6380 32.2175 175.7037 122 P 4.3001 0.0000 0.0000 62.4172 32.1394 177.0238 123 V 3.6070 8.2689 120.7047 65.9570 31.9799 176.9106 124 N 4.4474 8.0872 118.4850 53.5071 39.8036 173.8295 125 Y 4.1125 8.9725 129.0928 61.2366 38.8202 177.9211 126 E 4.0072 8.4723 119.2133 59.6006 29.7608 178.4532 127 N 4.3898 8.0706 115.9458 56.0221 38.6585 177.0827 128 F 4.2920 8.7524 122.2323 61.4136 39.5829 176.9159 129 A 3.6604 8.0422 120.7847 55.1811 17.9935 179.1263 130 N 4.2277 8.3556 115.2105 56.6522 38.9939 176.9549 131 A 4.0024 8.1007 122.2110 55.3178 18.4714 179.6676 132 I 3.6637 7.8271 118.3307 64.4107 37.1215 178.6030 133 R 4.0251 7.9960 119.5307 59.6336 29.9437 178.5467 134 Q 4.0400 8.3537 118.0173 58.8563 28.6661 178.4455 135 L 4.1861 8.2525 121.5614 58.3563 41.9705 179.3626 136 G 3.7313 8.2776 105.5689 47.8435 0.0000 175.7310 137 L 4.1161 7.8157 120.5448 57.5163 41.9195 178.9960 138 F 4.3888 8.9534 121.1421 61.1768 39.1150 176.7296 139 F 4.1311 8.6441 119.9319 61.6475 39.2564 177.0303 140 S 4.0051 7.8063 112.6519 59.9388 62.6029 175.3375 141 V 4.0655 7.0686 120.5945 61.7205 32.2172 174.9348 *143 Q 3.8276 7.6355 115.0101 55.1396 29.5192 174.7404 144 V 4.1626 8.1778 123.2449 60.5605 32.3219 173.3985 145 P 4.7167 0.0000 0.0000 62.2293 33.2913 174.9784 146 E 5.1573 8.7697 119.9900 55.3638 30.7306 176.7393 147 T 4.3706 8.2219 113.1266 60.8379 71.6175 173.4216 148 E 4.1888 8.3705 121.0173 56.3891 30.9073 178.2813 149 G 3.7119 8.4752 109.3554 45.8186 0.0000 173.7803 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 8.28 5.19 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 1.00 0.00 0.00 1.12 0.00 0.00 9 T 8.59 4.70 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 1.30 0.00 0.00 10 I 8.62 4.75 1.71 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.48 0.75 0.00 0.00 11 V 8.67 4.86 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 1.59 0.00 0.00 1.14 0.00 0.00 *13 I 8.04 4.53 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.98 0.00 0.00 14 E 9.08 4.96 0.00 2.07 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 15 D 8.88 4.55 0.00 2.87 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 16 D 8.24 4.49 0.00 2.71 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 8.60 4.09 0.00 1.72 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.51 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.22 0.00 3.39 3.51 0.00 5.67 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 8.27 3.97 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 21 R 7.98 3.96 0.00 2.11 1.97 0.00 3.13 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 22 L 7.60 3.80 0.00 1.73 1.55 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.03 3.44 1.93 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 1.29 0.47 0.85 0.00 0.00 24 E 8.00 3.82 0.00 1.97 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 2.25 2.26 0.00 25 K 7.78 4.02 0.00 1.95 2.01 0.00 1.35 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.42 7.81 26 N 7.91 4.40 0.00 2.68 2.83 0.00 0.00 7.05 7.47 0.00 0.00 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 7.54 3.88 1.95 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 1.73 0.82 0.80 0.00 0.00 28 R 7.65 4.20 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 29 R 7.93 3.95 0.00 1.93 1.99 0.00 3.30 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 30 A 7.66 4.31 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 31 G 8.10 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 0.00 0.00 0.00 32 V 7.63 3.85 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 1.12 0.00 0.00 1.16 0.00 0.00 33 N 8.64 5.07 0.00 2.73 2.78 0.00 0.00 7.14 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 7.99 4.55 0.00 2.70 2.95 0.00 0.00 7.00 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 8.67 4.08 0.00 2.05 1.83 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 2.34 2.31 0.00 36 I 8.26 4.80 1.77 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 1.21 0.89 0.80 0.00 0.00 37 I 8.65 4.12 1.57 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 0.99 0.92 0.29 0.00 0.00 38 A 7.98 4.65 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 4.76 0.00 2.97 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 40 T 8.91 5.05 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 1.27 0.00 0.00 41 D 7.58 4.71 0.00 3.22 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 42 G 9.46 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.94 3.87 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 1.21 0.00 0.00 44 S 9.42 4.13 0.00 4.27 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 0.00 45 A 7.52 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 8.17 4.17 0.00 1.88 1.76 0.83 1.06 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 47 N 8.10 4.49 0.00 2.94 2.89 0.00 0.00 6.63 7.49 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 48 Y 7.20 3.97 0.00 2.64 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 49 L 7.89 3.72 0.00 1.46 1.07 0.98 0.69 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 50 F 8.88 4.65 0.00 3.10 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 51 G 7.92 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 0.00 0.00 0.00 52 D 8.75 4.39 0.00 2.68 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 53 D 8.09 4.58 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 54 K 8.51 4.03 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.39 1.47 7.81 55 S 8.91 4.20 0.00 3.97 4.04 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 56 G 8.67 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 57 R 7.67 3.91 0.00 1.80 1.91 0.00 3.09 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 58 V 7.61 3.64 1.93 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 0.64 0.00 0.00 0.82 0.00 0.00 59 S 8.17 4.18 0.00 3.80 3.82 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 60 A 6.89 4.54 1.21 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 0.00 0.00 61 G 8.63 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 62 R 8.12 4.12 0.00 1.89 1.85 0.00 2.95 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 63 A 8.92 5.22 1.26 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 0.00 0.00 0.00 64 Q 8.45 5.12 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 65 L 8.91 5.03 0.00 1.88 1.57 1.13 0.89 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 66 V 8.67 4.98 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 0.75 0.00 0.00 0.96 0.00 0.00 67 L 8.85 5.00 0.00 1.45 1.58 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.65 4.78 0.00 1.72 1.44 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.84 5.25 0.00 2.97 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.47 4.12 0.00 1.60 1.70 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.40 4.94 0.00 2.71 2.80 0.00 0.00 6.74 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 7.89 4.87 0.00 1.61 1.57 0.94 1.13 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 73 P 0.00 4.37 0.00 2.18 2.18 0.00 3.77 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 2.00 1.97 0.00 74 D 7.88 4.48 0.00 2.80 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 *76 T 7.58 4.08 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 1.28 0.00 0.00 77 G 8.91 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 78 I 7.61 3.77 1.88 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 1.54 0.93 0.92 0.00 0.00 79 D 8.13 4.35 0.00 2.82 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 80 I 7.72 3.72 2.06 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 1.55 0.68 0.99 0.00 0.00 81 L 7.96 3.96 0.00 1.78 1.88 0.96 0.95 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 82 K 8.16 3.97 0.00 1.96 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.70 7.81 83 L 8.13 3.96 0.00 1.83 1.39 0.74 0.89 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 84 V 8.10 3.92 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.16 0.00 0.00 85 K 8.18 4.35 0.00 1.83 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.82 1.81 7.81 86 E 7.69 4.38 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 2.29 2.50 0.00 87 N 7.79 4.54 0.00 3.25 2.87 0.00 0.00 6.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.31 0.00 2.11 2.23 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 89 H 7.99 4.80 0.00 3.19 3.29 0.00 5.64 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 90 T 7.50 4.51 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 91 R 8.30 4.29 0.00 1.94 2.33 0.00 3.07 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 92 R 7.85 4.07 0.00 1.80 2.00 0.00 3.51 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 93 S 8.08 4.48 0.00 3.90 3.92 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 0.00 0.00 0.00 94 P 0.00 4.55 0.00 2.20 2.26 0.00 3.93 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 2.04 0.00 95 V 8.52 4.74 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 0.95 0.00 0.00 1.00 0.00 0.00 96 V 8.98 4.76 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 0.92 0.00 0.00 1.01 0.00 0.00 97 I 8.84 4.25 1.18 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 0.95 0.54 0.34 0.00 0.00 98 L 8.73 4.94 0.00 1.68 1.45 0.92 0.34 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 99 T 8.36 4.86 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 1.04 0.00 0.00 100 T 8.64 3.75 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 1.20 0.00 0.00 101 T 7.78 4.10 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 8.30 5.00 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.32 4.38 0.00 2.74 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 0.00 104 Q 8.81 3.89 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 105 R 8.19 3.89 0.00 1.88 2.18 0.00 3.09 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 1.63 1.67 0.00 106 E 8.19 4.04 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 107 I 7.62 2.99 1.80 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 -0.25 0.29 0.87 0.00 0.00 108 Q 8.32 4.09 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 109 R 8.09 3.91 0.00 2.01 2.15 0.00 3.11 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 1.70 0.00 110 C 8.16 4.18 0.00 3.29 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 0.00 111 Y 8.07 4.05 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.43 0.00 2.82 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 7.72 4.33 0.00 1.87 1.74 1.06 1.04 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 0.00 114 G 8.01 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 0.00 0.00 0.00 115 A 7.85 4.13 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 0.00 116 N 8.86 4.76 0.00 2.85 2.99 0.00 0.00 6.68 7.21 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 0.00 117 V 7.62 4.75 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 1.01 0.00 0.00 1.07 0.00 0.00 118 Y 8.88 4.91 0.00 2.50 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 0.00 119 I 8.50 4.77 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.91 0.00 0.00 120 T 8.59 4.81 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 1.27 0.00 0.00 121 K 8.89 3.91 0.00 1.24 0.80 0.00 1.59 0.00 0.00 1.39 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.05 1.26 7.81 122 P 0.00 4.30 0.00 2.10 1.96 0.00 3.38 0.00 0.00 3.60 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 8.27 3.61 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 0.77 0.00 0.00 0.91 0.00 0.00 124 N 8.09 4.45 0.00 2.87 2.74 0.00 0.00 6.68 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 8.97 4.11 0.00 3.18 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 0.00 126 E 8.47 4.01 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 127 N 8.07 4.39 0.00 3.06 2.87 0.00 0.00 6.75 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 8.75 4.29 0.00 2.92 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 0.00 129 A 8.04 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.36 4.23 0.00 2.89 3.03 0.00 0.00 7.11 7.60 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 0.00 131 A 8.10 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.66 1.88 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.86 0.00 0.00 133 R 8.00 4.03 0.00 1.87 2.19 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 134 Q 8.35 4.04 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 135 L 8.25 4.19 0.00 1.93 1.95 0.93 1.03 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 0.00 136 G 8.28 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.82 4.12 0.00 1.90 1.82 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.95 4.39 0.00 3.19 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 8.64 4.13 0.00 3.08 3.42 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 0.00 140 S 7.81 4.01 0.00 3.93 3.85 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 0.00 0.00 0.00 0.00 141 V 7.07 4.07 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 0.70 0.00 0.00 0.93 0.00 0.00 *143 Q 7.64 3.83 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 144 V 8.18 4.16 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 0.92 0.00 0.00 0.97 0.00 0.00 145 P 0.00 4.72 0.00 2.16 2.15 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 146 E 8.77 5.16 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 147 T 8.22 4.37 4.21 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 1.28 0.00 0.00 148 E 8.37 4.19 0.00 2.15 1.93 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 2.33 2.33 0.00 149 G 8.48 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.