NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2119 8.2649 123.5790 52.0967 19.1988 177.1689 2 C 4.5870 8.5764 121.2722 56.1135 36.2073 172.2560 3 D 4.3339 9.5687 126.9987 56.9560 42.8094 176.0278 4 Y 4.8657 8.7998 115.5971 56.4952 42.6977 174.6174 5 T 5.0768 8.6674 119.6421 62.1966 72.1164 173.8429 6 C 4.9983 9.2603 125.3929 55.6036 41.7784 176.1492 7 G 3.7333 8.3133 118.5197 46.9449 0.0000 174.7746 8 S 4.4684 8.9393 121.5475 58.9443 63.7566 173.9781 9 N 4.1998 7.9944 119.2965 52.9737 38.7584 172.8937 10 C 4.9437 8.1675 122.8071 55.1358 44.5924 172.2136 11 Y 5.1319 9.0723 124.8292 56.2803 41.0020 175.9240 12 S 5.1749 9.1777 118.0668 56.5649 66.2211 174.4801 13 S 4.7162 8.6715 113.2415 59.3348 63.1750 176.1288 14 S 4.2025 7.8285 118.5573 61.6860 62.7637 175.8027 15 D 4.4444 8.2389 122.1345 57.2470 40.5216 179.0731 16 V 3.5177 7.5232 118.4591 66.0403 31.6231 178.1960 17 S 4.0965 8.3880 115.2466 62.0340 62.3791 176.9879 18 T 3.8894 8.3903 118.5293 66.3869 68.3088 176.7807 19 A 4.1980 7.7600 122.6096 55.2136 18.3968 179.2364 20 Q 3.7318 8.4185 118.3235 59.3671 29.0524 178.5619 21 A 3.7752 7.9170 121.2532 55.1533 18.3866 179.5253 22 A 3.8248 7.6294 119.1214 55.0111 18.4330 180.1283 23 G 2.1046 6.7512 103.8026 47.3871 0.0000 175.3163 24 Y 3.6347 7.2797 122.1631 60.0883 38.8263 177.8209 25 Q 3.6939 7.6561 120.4055 59.3027 29.1499 178.5034 26 L 3.8904 7.4742 119.8425 57.6340 41.6298 178.8524 27 H 3.9237 7.9308 118.3148 59.3482 29.5448 177.0184 28 E 3.5837 7.1526 118.5093 59.5310 29.3677 179.0381 29 D 4.4412 7.5840 116.7847 55.1289 40.8084 177.3964 30 G 3.8091 7.5479 106.4516 45.8251 0.0000 172.7191 31 E 5.0084 7.7208 117.1903 54.3769 32.8273 175.2024 32 T 5.2594 8.4028 110.3798 60.2765 72.7337 173.1577 33 V 4.5808 9.3412 121.1243 61.1168 35.2918 176.3436 34 G 4.6122 9.2766 105.9483 46.9016 0.0000 174.6719 35 S 4.2874 8.5528 113.6367 60.4039 63.1645 174.7514 36 N 4.6050 8.3497 116.6678 52.4335 39.0724 175.0975 37 S 3.7583 7.6064 112.4108 59.7266 60.6261 170.6990 38 Y 4.6357 8.3745 119.0409 55.9521 39.5462 174.1949 39 P 5.5301 0.0000 0.0000 63.3398 32.9066 174.6739 40 H 5.1147 8.5644 114.3245 53.8523 32.0241 172.4596 41 K 3.9977 8.9839 120.9339 57.2595 32.6608 175.1712 42 Y 4.5883 8.4699 128.5062 55.7914 39.7697 175.3835 43 N 4.0174 7.7753 125.2925 54.0241 39.3734 174.3751 44 N 4.1656 6.4226 115.1163 54.7205 36.7287 175.4710 45 Y 4.2969 7.2965 116.0397 60.9383 38.4673 178.0311 46 E 3.8364 8.0098 118.2682 57.2408 29.6561 176.8438 47 G 3.6402 7.4636 105.8024 46.3370 0.0000 174.0510 48 F 4.2166 7.4581 117.3888 57.1703 39.3891 176.0005 49 D 4.5917 8.1679 123.9615 52.9834 39.6710 175.3400 50 F 4.9652 7.8351 121.9629 56.1159 40.6653 176.4440 51 S 4.3516 8.9306 119.0566 61.2376 63.5067 175.0316 52 V 3.6398 7.9450 119.5327 62.3341 31.6301 175.6738 53 S 4.2936 8.5484 120.5468 58.3170 63.4936 174.0065 54 S 3.2939 7.9084 117.2267 55.8335 64.4317 171.7846 55 P 4.0905 0.0000 0.0000 63.0047 32.4220 174.8095 56 Y 4.8351 7.8015 117.7627 56.8701 41.5133 174.7479 57 Y 4.8430 7.7475 118.5020 55.1773 42.4296 173.4346 *59 W 4.9973 8.4588 128.6322 57.3407 32.2607 174.2934 60 P 4.2171 0.0000 0.0000 62.4650 31.4557 175.2746 61 I 4.2200 7.6297 123.6344 59.1034 39.8169 174.6877 62 L 4.5912 8.3369 129.6568 53.1330 42.8061 177.7458 63 S 4.3493 9.1737 118.4659 60.7273 63.0269 175.7649 64 S 4.1388 8.0513 114.3241 59.6780 62.6661 174.9129 65 G 4.0616 8.2953 109.7409 45.3353 0.0000 173.5613 66 D 4.5063 7.5365 119.0204 53.6496 41.8300 175.8741 67 V 3.8898 8.2071 125.6168 62.2779 32.3931 175.1249 68 Y 4.1172 8.8053 127.8885 58.4112 38.8451 176.4397 69 S 4.3363 7.9171 122.8980 58.1566 63.4583 174.7215 70 G 3.8893 6.7130 108.4615 46.2742 0.0000 174.9444 71 G 4.1603 6.6272 108.4534 45.1046 0.0000 176.4950 72 S 4.4698 8.7182 120.6124 57.0082 63.4568 172.6207 73 P 3.8130 0.0000 0.0000 63.1538 31.7821 177.7518 74 G 3.7957 7.8083 107.2077 45.1802 0.0000 172.2543 75 A 4.5524 8.4020 118.1419 52.6481 20.8254 177.2246 76 D 5.3610 7.9702 115.2642 52.9667 43.6903 175.8249 77 R 4.8709 8.8981 119.8605 54.5231 35.0729 174.2171 78 V 4.2470 8.2989 121.8148 60.2128 33.2846 175.3572 79 V 4.4816 8.2334 124.1645 60.9637 34.2343 174.2173 80 F 5.4250 8.3930 121.3815 55.6524 42.3631 173.1154 81 N 5.7347 8.9249 116.6667 50.1920 39.5887 175.3531 82 E 4.4153 8.9072 116.5650 59.6356 29.5110 177.8727 83 N 4.5626 8.3996 113.5026 52.8713 39.2774 173.7549 84 N 3.6610 7.6177 114.9580 54.7070 37.2344 173.6076 85 Q 4.5903 8.7887 116.4922 53.5382 31.5705 175.5155 86 L 4.2204 8.3363 123.1437 55.0785 42.6317 176.4373 87 A 3.9813 8.8190 130.3336 53.1804 19.2196 176.7808 88 G 3.7272 6.1943 100.0568 46.2749 0.0000 171.5307 89 V 4.6521 7.3708 118.7237 60.8614 34.4484 174.6247 90 I 4.9709 8.3419 120.5016 59.5970 41.5415 173.9174 91 T 5.2408 8.7267 115.4206 61.4172 70.6547 174.3397 92 H 4.2763 9.3894 123.8651 58.5778 29.0620 175.4452 93 T 3.9881 7.5720 115.9421 66.8213 68.0098 174.2776 94 G 3.9611 9.1996 115.5380 44.8128 0.0000 172.2470 95 A 4.7192 7.6889 122.2577 50.4056 21.2104 176.6347 96 S 4.6398 8.3777 114.9050 57.1714 66.0368 176.2902 97 G 3.6417 8.0886 110.2288 47.3487 0.0000 174.1635 98 N 4.6962 8.6843 119.9560 52.2767 37.3678 174.4899 99 N 4.9669 7.8892 117.0307 53.4270 39.8888 174.0717 100 F 5.3643 8.7299 117.2478 56.1318 42.3271 175.5924 101 V 4.9059 8.6845 114.4189 59.5424 35.2293 175.1080 102 E 4.3812 8.5738 121.4115 56.3949 30.4451 176.9716 103 C 4.9206 8.8446 120.5290 56.1303 41.7478 174.2472 104 T 4.1950 8.3633 112.4587 61.8002 68.5104 174.2498 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 1 A 8.26 4.21 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 2 C 8.58 4.59 0.00 3.03 3.04 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 3 D 9.57 4.33 0.00 2.77 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.80 4.87 0.00 3.01 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 5 T 8.67 5.08 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 1.31 0.00 0.00 6 C 9.26 5.00 0.00 3.26 3.25 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 7 G 8.31 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 8 S 8.94 4.47 0.00 3.85 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 9 N 7.99 4.20 0.00 2.81 2.19 0.00 0.00 6.31 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 10 C 8.17 4.94 0.00 2.84 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 11 Y 9.07 5.13 0.00 3.15 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 12 S 9.18 5.17 0.00 4.03 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 13 S 8.67 4.72 0.00 4.16 4.34 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 14 S 7.83 4.20 0.00 4.12 4.18 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 15 D 8.24 4.44 0.00 3.13 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 16 V 7.52 3.52 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 0.89 0.00 0.00 0.73 0.00 0.00 17 S 8.39 4.10 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.39 3.89 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 19 A 7.76 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.42 3.73 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 21 A 7.92 3.78 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 22 A 7.63 3.82 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 23 G 6.75 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.28 3.63 0.00 2.32 2.67 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 25 Q 7.66 3.69 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 26 L 7.47 3.89 0.00 1.61 1.76 0.95 1.02 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 27 H 7.93 3.92 0.00 3.19 3.24 0.00 5.79 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 28 E 7.15 3.58 0.00 1.81 1.75 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 1.50 1.99 0.00 29 D 7.58 4.44 0.00 2.59 2.66 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 30 G 7.55 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 31 E 7.72 5.01 0.00 1.80 1.85 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 2.22 2.18 0.00 32 T 8.40 5.26 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 33 V 9.34 4.58 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 1.05 0.00 0.00 34 G 9.28 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.55 4.29 0.00 4.04 4.07 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 36 N 8.35 4.61 0.00 2.97 2.71 0.00 0.00 7.14 7.57 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 37 S 7.61 3.76 0.00 3.96 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 38 Y 8.37 4.64 0.00 3.16 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 39 P 0.00 5.53 0.00 2.28 2.47 0.00 4.08 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 40 H 8.56 5.11 0.00 3.18 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.98 4.00 0.00 1.84 1.74 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.53 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.21 7.81 42 Y 8.47 4.59 0.00 2.81 2.84 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 43 N 7.78 4.02 0.00 1.44 2.05 0.00 0.00 7.16 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 44 N 6.42 4.17 0.00 3.20 2.90 0.00 0.00 7.25 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 45 Y 7.30 4.30 0.00 2.97 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 46 E 8.01 3.84 0.00 1.16 1.12 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 2.64 2.36 0.00 47 G 7.46 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 48 F 7.46 4.22 0.00 1.63 2.40 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 0.00 49 D 8.17 4.59 0.00 2.60 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 50 F 7.84 4.97 0.00 3.06 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 51 S 8.93 4.35 0.00 4.05 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 52 V 7.94 3.64 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 1.08 0.00 0.00 1.02 0.00 0.00 53 S 8.55 4.29 0.00 3.99 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 54 S 7.91 3.29 0.00 3.28 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.09 0.00 1.64 1.99 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.98 0.00 56 Y 7.80 4.84 0.00 3.13 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 57 Y 7.75 4.84 0.00 1.80 2.53 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 *59 W 8.46 5.00 0.00 3.78 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 60 P 0.00 4.22 0.00 0.77 1.34 0.00 2.20 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.63 4.22 1.55 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.63 0.29 0.00 0.00 62 L 8.34 4.59 0.00 1.97 1.62 0.95 0.88 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 63 S 9.17 4.35 0.00 4.00 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 64 S 8.05 4.14 0.00 4.02 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 65 G 8.30 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 66 D 7.54 4.51 0.00 2.70 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 67 V 8.21 3.89 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 1.09 0.00 0.00 1.02 0.00 0.00 68 Y 8.81 4.12 0.00 2.62 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.92 4.34 0.00 3.87 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 70 G 6.71 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 71 G 6.63 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 72 S 8.72 4.47 0.00 4.04 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 73 P 0.00 3.81 0.00 1.70 1.63 0.00 3.93 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 74 G 7.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.40 4.55 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 76 D 7.97 5.36 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.90 4.87 0.00 1.18 1.43 0.00 3.02 0.00 0.00 2.85 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 78 V 8.30 4.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.85 0.00 0.00 79 V 8.23 4.48 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 0.54 0.00 0.00 0.21 0.00 0.00 80 F 8.39 5.43 0.00 3.19 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 81 N 8.92 5.73 0.00 3.04 3.18 0.00 0.00 6.91 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 82 E 8.91 4.42 0.00 2.12 2.24 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 2.73 2.45 0.00 83 N 8.40 4.56 0.00 2.80 2.85 0.00 0.00 6.89 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 84 N 7.62 3.66 0.00 1.44 2.23 0.00 0.00 6.98 7.30 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 85 Q 8.79 4.59 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 86 L 8.34 4.22 0.00 1.53 1.55 0.76 0.96 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 87 A 8.82 3.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 6.19 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 89 V 7.37 4.65 1.67 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 0.84 0.00 0.00 0.12 0.00 0.00 90 I 8.34 4.97 1.73 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.47 0.47 0.00 0.00 91 T 8.73 5.24 4.35 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 1.31 0.00 0.00 92 H 9.39 4.28 0.00 3.19 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.57 3.99 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 1.24 0.00 0.00 94 G 9.20 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.69 4.72 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 96 S 8.38 4.64 0.00 4.00 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 97 G 8.09 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 98 N 8.68 4.70 0.00 2.71 2.80 0.00 0.00 5.90 8.04 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 99 N 7.89 4.97 0.00 2.98 2.91 0.00 0.00 6.63 6.86 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 0.00 100 F 8.73 5.36 0.00 3.28 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 0.00 101 V 8.68 4.91 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 1.00 0.00 0.00 1.07 0.00 0.00 102 E 8.57 4.38 0.00 1.72 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 1.95 1.47 0.00 103 C 8.84 4.92 0.00 3.02 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 0.00 104 T 8.36 4.20 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.