NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 I 4.1388 8.0093 120.7896 60.7747 39.0494 175.0518 0 L 4.1648 8.3469 121.5354 56.2665 40.9326 174.2201 1 E 4.5269 8.5788 118.8299 56.1089 33.0129 176.9685 2 A 4.8336 7.7276 119.1640 49.8873 21.8872 175.8865 3 A 4.1357 8.5968 122.3519 53.8277 19.8160 177.3386 4 V 4.7903 7.8259 114.8915 61.4471 34.0989 174.9886 5 T 4.7243 9.3143 124.7288 61.9067 71.3455 172.9872 6 Q 5.4044 8.8180 125.3106 54.5070 31.0791 175.2368 7 S 4.8432 8.9939 117.0384 56.3137 66.8256 172.4120 8 P 4.8366 0.0000 0.0000 62.3155 32.4075 176.2423 9 R 4.4142 8.4160 116.3308 58.3680 31.0410 176.5311 10 N 5.5753 7.9931 114.1199 51.4656 42.9223 174.1191 11 K 4.5064 9.1036 122.5214 55.2559 36.1841 174.5876 12 V 4.8309 8.5593 127.1402 61.1442 33.3274 174.3329 13 A 5.0179 9.1545 129.6145 50.1220 22.5796 174.6743 14 V 4.5093 8.7614 120.0485 61.3035 33.5887 175.5372 15 T 4.0084 8.6422 123.6123 65.5123 68.6719 174.0387 16 G 4.0005 9.0575 115.4124 45.1350 0.0000 173.7449 17 E 4.1894 8.1347 119.7442 55.9017 30.7779 176.2858 18 K 4.6634 8.4826 124.6094 56.3672 33.2465 176.1095 19 V 4.4284 8.8768 127.0400 61.2950 34.7002 174.0489 20 T 4.8634 8.4660 123.4475 61.7074 71.2009 173.1081 21 L 4.6234 8.7138 126.5677 52.9724 44.4962 175.2634 22 S 5.2655 9.1756 118.4971 56.2530 64.5767 171.7288 23 C 5.4520 9.2610 127.0008 54.9183 41.8676 172.0139 24 Q 5.3162 9.3579 128.5002 54.2499 31.3523 173.9912 25 Q 5.7154 9.4775 124.5348 53.4945 31.7847 175.7365 26 T 4.4703 8.4504 110.5152 61.4851 68.3320 174.1932 27 N 4.5100 8.0740 118.1425 52.7945 38.5911 174.9521 28 N 4.3145 8.1509 114.2546 54.5364 37.4618 173.7092 29 H 4.3764 7.5242 112.2164 55.8563 29.3576 175.4617 30 N 4.6886 8.9020 121.5896 56.3361 39.2357 175.3033 31 N 4.9031 8.2494 116.3879 52.4956 40.4526 174.4523 32 M 5.1014 8.1831 121.6245 53.8046 36.7920 173.9903 33 Y 5.3621 8.8359 117.1615 56.3411 43.2942 174.2384 34 W 5.4350 9.3263 121.4030 55.2879 32.7651 174.0952 35 Y 5.3728 9.9268 122.2406 56.2808 41.3537 174.4431 36 R 4.6293 8.9305 123.0463 54.7615 32.2950 174.7674 37 Q 4.9505 8.8579 128.6161 55.5646 30.2498 175.0415 38 D 4.9318 9.1402 126.7400 51.9614 41.8873 177.3145 39 T 3.8791 8.6315 108.0247 63.7483 68.8664 175.1739 40 G 3.8868 8.2046 109.9817 45.4065 0.0000 173.4943 41 H 4.0690 8.4452 115.2300 56.1831 26.8686 175.2204 42 G 3.8103 8.5413 107.6049 46.1459 0.0000 173.2910 43 L 5.1887 8.3161 122.5683 53.0160 43.3652 175.9510 44 R 4.7376 9.1697 124.3659 54.1981 32.6270 175.4367 45 L 4.0986 8.6924 126.7095 55.4519 42.9253 176.5288 46 I 4.0249 9.1939 128.1407 63.3768 38.2798 175.3304 47 H 5.5214 8.0107 117.1254 54.9926 33.7543 171.3984 48 Y 5.1124 8.7967 118.1676 56.2883 42.2004 173.3759 49 S 4.5022 8.0421 112.3026 57.4075 65.6697 174.2347 50 Y 4.5206 9.2362 123.8240 57.4044 38.5379 175.5867 51 G 3.9749 7.2545 110.0606 44.6607 0.0000 171.9138 52 V 3.7609 8.0181 118.6670 64.7954 31.4244 176.3771 53 G 3.9843 9.2038 115.5275 45.2419 0.0000 172.5822 54 N 4.9654 7.9414 118.3401 51.8270 40.6796 173.7612 55 T 4.8836 8.1523 113.9746 60.0458 72.1332 172.8141 56 E 4.5741 9.0651 122.6307 54.3260 33.6012 175.1453 57 K 4.4784 8.6306 122.3272 56.0976 32.9604 177.7208 58 G 4.2667 8.6425 114.9078 46.7927 0.0000 174.3177 59 D 4.7922 8.9110 120.9656 55.1677 41.6750 177.5171 60 I 4.7121 7.1509 109.9675 59.1743 37.5987 173.9739 61 P 4.2780 0.0000 0.0000 66.0048 32.1903 177.1024 62 D 4.4958 8.1628 118.5544 56.1189 40.9664 176.6844 63 G 3.7547 9.1666 110.9842 45.6449 0.0000 172.2855 65 Y 5.0383 8.0813 115.4072 56.0999 42.0652 174.2490 66 E 4.8903 9.2946 120.3431 54.5816 34.0844 174.4311 67 A 5.0118 8.1274 120.9006 50.5490 22.9411 175.5430 68 S 4.4452 8.6517 113.2296 56.9506 66.2731 173.4017 69 R 5.3815 8.9309 127.7752 53.4756 28.9334 173.9278 70 P 4.4383 0.0000 0.0000 63.9719 32.4026 176.7747 71 S 4.6542 7.5753 112.5152 56.5766 66.0754 174.4664 72 Q 3.9849 8.6802 121.3097 59.3608 28.9767 177.1481 73 E 4.4748 7.7957 114.3193 57.5641 30.7291 176.7497 74 Q 5.1266 7.9754 120.3925 54.1743 31.5675 174.3703 75 F 5.5206 9.4024 128.4843 56.9274 42.4031 173.3395 76 S 5.1459 9.2543 123.4388 56.8420 65.4163 173.0733 77 L 4.5463 8.1041 126.1848 53.1835 43.7860 174.8547 78 I 4.7286 8.5923 127.5172 59.4590 40.1821 174.6682 79 L 4.5271 8.9961 127.8251 52.7601 42.3265 176.9227 80 E 3.8033 8.6876 126.0629 58.7492 29.7988 176.6237 81 L 4.4667 7.2733 119.7834 53.2758 43.4712 174.9107 82 A 4.4453 9.1490 128.5145 52.0138 19.7151 176.1949 83 T 4.8285 8.7694 110.3391 59.0704 72.2204 173.4997 84 P 4.2381 0.0000 0.0000 65.5874 31.5539 178.7188 85 S 4.2868 8.0607 111.3000 60.3803 62.8801 174.6944 86 Q 4.4786 8.0226 119.3008 56.4145 28.9923 175.8181 87 T 4.1718 7.8247 116.2388 64.6777 68.9646 173.5567 88 T 3.9522 8.4789 120.3799 62.1642 72.3316 170.9740 89 V 4.7387 7.5617 122.3436 61.6812 33.7957 173.9933 90 Y 5.2905 8.8696 123.9340 56.2617 41.6911 174.4829 91 F 5.6212 9.7952 122.1890 55.9173 42.7063 172.1470 92 C 4.9544 9.4781 117.7006 54.0170 45.6246 172.2117 93 A 5.1299 8.5448 120.4485 51.0769 22.8229 174.9839 94 S 5.0682 8.5745 112.9195 57.1373 67.2727 173.6732 95 G 4.1328 7.2325 107.2243 46.3835 0.0000 171.5149 96 G 4.4485 7.9834 106.1080 44.3890 0.0000 174.8118 97 G 3.8418 8.8094 109.0047 46.9020 0.0000 175.3366 98 G 3.8669 8.7028 112.4907 46.1707 0.0000 173.3153 99 T 4.0733 7.9212 118.3718 63.3761 69.7914 173.7067 100 L 4.6873 8.2329 124.7516 53.2079 44.5933 175.7800 101 Y 4.1702 9.5015 124.6096 56.6760 38.9663 175.2079 *108 F 4.7890 8.5718 122.7949 56.9538 40.4218 175.4711 109 G 4.0802 9.1771 110.1128 46.2931 0.0000 173.3155 110 A 4.5207 8.7122 121.2770 52.1716 19.2401 178.3594 111 G 3.5061 8.6870 102.5497 44.8977 0.0000 173.1893 112 T 4.7642 8.3857 116.6428 61.5533 72.3208 173.1960 113 R 4.6416 9.0440 126.3477 55.0608 31.9019 175.0704 114 L 5.1496 9.1612 126.9256 53.2102 44.9683 174.7633 115 S 4.9359 9.1193 121.1574 56.5234 65.0304 172.5349 116 V 4.7351 8.6583 128.2265 61.3385 32.8264 175.5045 117 L 4.3736 9.1223 127.8369 54.8664 41.8270 176.7270 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 I 8.01 4.14 1.90 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 1.69 1.37 0.99 0.00 0.00 0 L 8.35 4.16 0.00 1.88 1.78 0.93 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1 E 8.58 4.53 0.00 1.94 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 2.21 2.34 0.00 2 A 7.73 4.83 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 3 A 8.60 4.14 1.13 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 0.00 0.00 0.00 0.00 0.00 4 V 7.83 4.79 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 0.88 0.00 0.00 1.06 0.00 0.00 5 T 9.31 4.72 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 1.26 0.00 0.00 6 Q 8.82 5.40 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 7 S 8.99 4.84 0.00 3.89 3.94 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 8 P 0.00 4.84 0.00 2.49 2.13 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 9 R 8.42 4.41 0.00 1.79 2.04 0.00 3.41 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 10 N 7.99 5.58 0.00 2.55 2.67 0.00 0.00 6.62 7.61 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 11 K 9.10 4.51 0.00 1.79 1.57 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.39 7.81 12 V 8.56 4.83 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 0.85 0.00 0.00 0.93 0.00 0.00 13 A 9.15 5.02 1.16 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 14 V 8.76 4.51 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 1.02 0.00 0.00 0.92 0.00 0.00 15 T 8.64 4.01 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 1.22 0.00 0.00 16 G 9.06 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 17 E 8.13 4.19 0.00 1.99 1.84 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 2.30 2.30 0.00 18 K 8.48 4.66 0.00 1.72 1.66 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 19 V 8.88 4.43 1.95 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 0.77 0.00 0.00 0.86 0.00 0.00 20 T 8.47 4.86 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 1.17 0.00 0.00 21 L 8.71 4.62 0.00 0.76 1.39 0.23 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.18 5.27 0.00 3.91 3.97 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 23 C 9.26 5.45 0.00 2.86 3.19 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 24 Q 9.36 5.32 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 25 Q 9.48 5.72 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 26 T 8.45 4.47 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 1.19 0.00 0.00 27 N 8.07 4.51 0.00 2.26 2.41 0.00 0.00 6.64 6.62 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 28 N 8.15 4.31 0.00 2.78 2.83 0.00 0.00 7.15 7.89 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 29 H 7.52 4.38 0.00 3.29 3.18 0.00 5.72 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 30 N 8.90 4.69 0.00 2.61 2.89 0.00 0.00 7.00 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 31 N 8.25 4.90 0.00 2.84 2.29 0.00 0.00 6.84 6.95 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 32 M 8.18 5.10 0.00 1.77 1.17 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 33 Y 8.84 5.36 0.00 2.87 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 34 W 9.33 5.44 0.00 3.31 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 35 Y 9.93 5.37 0.00 3.31 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 36 R 8.93 4.63 0.00 1.75 1.72 0.00 3.05 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.00 37 Q 8.86 4.95 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 38 D 9.14 4.93 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 39 T 8.63 3.88 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 40 G 8.20 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 41 H 8.45 4.07 0.00 3.25 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.54 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 43 L 8.32 5.19 0.00 1.22 1.31 0.20 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.17 4.74 0.00 1.85 1.90 0.00 3.33 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 45 L 8.69 4.10 0.00 1.76 1.57 0.63 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.19 4.02 1.87 0.00 0.00 0.68 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 0.75 0.50 0.00 0.00 47 H 8.01 5.52 0.00 3.19 3.29 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.80 5.11 0.00 2.51 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 49 S 8.04 4.50 0.00 3.09 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 50 Y 9.24 4.52 0.00 3.06 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 51 G 7.25 3.97 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 0.00 0.00 0.00 52 V 8.02 3.76 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 0.96 0.00 0.00 53 G 9.20 3.98 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 0.00 0.00 0.00 54 N 7.94 4.97 0.00 2.69 2.87 0.00 0.00 6.90 7.31 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 55 T 8.15 4.88 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 1.42 0.00 0.00 56 E 9.07 4.57 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 1.86 1.67 0.00 57 K 8.63 4.48 0.00 1.69 1.78 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.48 7.81 58 G 8.64 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 0.00 0.00 0.00 0.00 59 D 8.91 4.79 0.00 2.65 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 60 I 7.15 4.71 1.96 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 0.73 0.97 0.00 0.00 61 P 0.00 4.28 0.00 2.29 2.28 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 62 D 8.16 4.50 0.00 2.74 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 63 G 9.17 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 65 Y 8.08 5.04 0.00 2.94 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 66 E 9.29 4.89 0.00 1.85 1.74 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 2.18 2.25 0.00 67 A 8.13 5.01 0.95 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 68 S 8.65 4.45 0.00 3.85 3.62 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 69 R 8.93 5.38 0.00 2.13 1.90 0.00 3.70 0.00 0.00 3.18 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 70 P 0.00 4.44 0.00 2.24 2.18 0.00 4.17 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 71 S 7.58 4.65 0.00 4.19 3.98 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 72 Q 8.68 3.98 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.15 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 73 E 7.80 4.47 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 74 Q 7.98 5.13 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 75 F 9.40 5.52 0.00 3.06 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 76 S 9.25 5.15 0.00 3.69 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 77 L 8.10 4.55 0.00 0.27 0.19 0.59 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.59 4.73 1.77 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 1.12 0.53 0.82 0.00 0.00 79 L 9.00 4.53 0.00 1.43 1.41 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.69 3.80 0.00 1.84 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 2.25 2.31 0.00 81 L 7.27 4.47 0.00 1.56 1.44 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 A 9.15 4.45 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 83 T 8.77 4.83 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 1.20 0.00 0.00 84 P 0.00 4.24 0.00 2.20 2.15 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 85 S 8.06 4.29 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 86 Q 8.02 4.48 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 87 T 7.82 4.17 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 1.30 0.00 0.00 88 T 8.48 3.95 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 0.92 0.00 0.00 89 V 7.56 4.74 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 0.76 0.00 0.00 0.94 0.00 0.00 90 Y 8.87 5.29 0.00 3.10 3.19 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 91 F 9.80 5.62 0.00 3.14 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 92 C 9.48 4.95 0.00 1.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.54 5.13 0.43 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 94 S 8.57 5.07 0.00 4.01 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 95 G 7.23 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.98 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.81 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 0.00 0.00 0.00 98 G 8.70 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 0.00 0.00 0.00 99 T 7.92 4.07 4.38 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 1.23 0.00 0.00 100 L 8.23 4.69 0.00 1.32 0.91 0.78 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 9.50 4.17 0.00 2.99 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 *108 F 8.57 4.79 0.00 2.93 3.08 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 0.00 109 G 9.18 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 0.00 0.00 0.00 110 A 8.71 4.52 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 0.00 111 G 8.69 3.51 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 0.00 0.00 0.00 112 T 8.39 4.76 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 0.00 113 R 9.04 4.64 0.00 1.77 1.88 0.00 3.09 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 114 L 9.16 5.15 0.00 1.76 1.89 0.94 0.67 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 0.00 115 S 9.12 4.94 0.00 3.91 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.66 4.74 2.17 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 0.82 0.00 0.00 0.96 0.00 0.00 117 L 9.12 4.37 0.00 1.58 1.53 0.92 0.86 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 * Residues marked with a * may have inaccurate shift predictions.