NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2518 8.3293 119.6763 55.6227 30.0151 174.5150 2 V 3.7395 7.9282 123.2825 59.5619 32.7042 174.2308 3 Q 4.3590 9.0591 121.6180 54.7603 31.9962 174.5352 4 L 4.8398 8.6227 124.3798 53.1154 43.8894 175.5191 5 V 4.5528 8.5320 125.2956 61.1239 33.0518 174.7013 6 A 5.0529 8.6178 129.8277 51.6059 20.5405 176.0217 7 S 4.5569 9.4812 116.3729 57.8438 67.7246 173.9050 8 G 3.9493 8.3960 107.8845 45.8919 0.0000 172.8445 9 G 3.9177 7.3747 105.0157 45.4463 0.0000 170.0940 10 G 3.6852 8.0657 103.2210 43.9238 0.0000 172.7604 11 S 5.4523 8.2408 113.3717 57.1245 65.4324 173.8624 12 V 4.4756 8.3943 119.5722 60.7765 34.9027 172.8049 13 Q 4.5564 8.6003 122.6942 55.0419 30.6603 174.8925 14 A 4.2062 8.5425 126.3377 54.3329 18.6525 178.2991 15 G 3.9339 9.3141 111.6311 45.0847 0.0000 173.8783 16 G 3.9939 8.0804 107.5149 45.9713 0.0000 172.5599 17 S 5.4804 8.3840 113.7318 56.8994 67.4575 173.6132 18 L 4.6758 8.6504 120.8477 53.2858 46.2073 174.9338 19 R 4.7562 8.4315 122.2324 54.5715 32.9570 174.0320 20 L 4.7849 8.2439 126.4471 53.5812 43.8023 175.8798 21 S 5.2284 8.6424 117.1701 56.9823 67.3603 172.4090 22 C 5.6017 8.6847 121.5095 55.0973 47.7306 172.7423 23 A 5.2239 9.1996 128.2462 50.5591 21.5209 175.4411 24 A 4.9874 8.0856 120.9552 50.4946 22.0503 176.9837 25 S 4.5302 8.3400 118.5851 56.1034 62.6069 172.4394 *28 T 4.0844 7.9067 115.3998 62.1929 70.2396 175.0644 29 F 4.9287 8.8852 128.8195 57.0735 41.4284 175.2258 30 S 4.7987 9.0447 107.7337 56.9878 62.6479 173.1581 31 S 4.4600 8.2269 116.4672 58.4667 64.3062 173.3059 32 Y 4.9805 7.7345 117.7045 55.5272 41.3146 172.8621 33 P 4.7536 0.0000 0.0000 63.4168 32.9244 175.3507 34 M 5.0658 8.8719 121.4627 53.8273 36.2506 174.9426 35 G 4.3524 9.2140 108.5597 44.7500 0.0000 170.7080 36 W 5.6276 9.0986 118.5045 55.1762 32.8928 174.8087 37 Y 5.2298 9.2958 121.8528 56.1498 41.2680 174.8520 38 R 4.8921 9.2069 117.2157 54.5808 33.4779 174.2258 39 Q 4.7564 9.1444 120.2323 54.1900 31.9288 174.7274 40 A 4.7942 8.4868 126.4027 49.8515 20.8175 174.6853 41 P 4.3654 0.0000 0.0000 64.2214 31.5324 176.8628 42 G 3.9194 8.9756 109.7033 45.6856 0.0000 172.8936 43 K 4.6513 7.6685 117.8157 53.6854 35.1081 175.7747 44 E 4.0983 8.4333 121.3415 56.1956 30.2339 176.7591 45 C 4.5549 8.5115 123.5520 56.3828 41.6855 172.1529 46 E 4.8934 9.1267 127.0195 54.0459 32.5594 174.3719 47 L 3.7896 8.5591 128.7681 55.2570 42.4507 176.0878 48 S 4.5767 9.3553 121.9906 60.5762 63.6063 173.4666 49 A 5.0136 7.5505 118.4938 51.0430 22.4334 174.8275 50 R 4.8198 8.4761 119.5681 54.4608 34.3274 173.6664 51 I 4.7661 8.6630 125.4408 59.2885 40.8605 175.3273 52 F 4.7609 9.4262 128.5568 56.0991 40.3984 176.6823 53 S 4.1187 9.0595 116.6665 61.7729 61.8724 175.3153 54 D 4.4371 8.0578 116.6753 54.5724 39.2486 176.8319 55 G 4.0904 8.4191 109.3108 45.0581 0.0000 174.1750 56 S 4.5881 8.0206 114.3022 58.5962 64.3109 173.1066 57 A 5.2407 8.4700 121.2187 50.7680 22.6435 174.8034 58 N 5.1565 8.7174 115.9049 51.8369 42.0470 173.8204 59 Y 5.3701 8.3147 117.7277 56.0524 42.2774 174.9630 60 A 4.1981 9.0537 126.2532 51.8134 18.7735 178.0856 61 D 4.2724 9.2269 122.3953 56.6768 39.2164 178.8526 62 S 4.0846 7.9760 111.2703 59.3016 63.5355 174.5852 63 V 3.7266 8.1666 113.9809 60.6787 33.5242 175.5576 64 K 3.4793 7.0855 120.7003 58.1763 32.0615 176.7844 65 G 3.9150 8.6361 114.2803 45.1527 0.0000 173.5766 66 R 4.5598 8.2753 117.4516 55.8947 33.1836 175.6933 67 F 5.7421 7.9488 115.4776 56.1850 42.5029 175.6133 68 T 4.7155 8.8692 117.3937 62.2939 72.0762 173.1922 69 I 4.8717 8.9522 127.8930 60.7050 39.3441 174.7964 70 S 4.9256 9.0518 120.7332 57.7027 66.5992 173.3649 71 R 5.2094 8.7199 116.6063 54.9247 31.8982 174.5217 72 D 4.7914 8.7628 116.9955 53.9025 43.2271 178.9883 73 N 4.6738 8.6304 119.4165 54.6060 37.5975 175.3093 74 A 4.4814 9.2000 118.0919 52.1938 18.3149 177.6133 75 A 4.3108 8.1671 115.5699 52.8018 22.2166 177.2418 76 N 4.2532 8.1833 114.5291 55.1352 36.3503 173.7312 77 T 4.9947 7.3018 106.9504 59.8982 72.9700 174.5730 78 A 5.2264 8.4110 125.9956 50.6151 22.3124 174.9914 79 Y 5.2941 9.7686 117.2474 56.3539 43.0742 174.8674 80 L 4.6914 8.4508 123.4530 53.3988 44.7517 174.7799 81 Q 4.4330 8.9391 126.7195 55.1926 30.3941 175.0787 82 M 4.3477 9.0212 125.0085 53.8277 33.4910 175.1389 82A D 5.1856 9.0791 123.8199 51.2698 43.6744 176.3715 82B S 3.6987 8.5730 112.8601 59.0757 60.7948 173.1793 82C L 4.4050 7.8118 118.6979 55.2747 42.4887 177.2441 83 K 4.9386 9.4109 120.4560 53.6234 35.7193 175.9522 84 P 4.2152 0.0000 0.0000 65.5939 31.1942 178.2275 85 E 4.1116 8.0827 117.4420 58.8983 29.5694 177.2101 86 D 4.7462 8.6050 117.3583 55.3711 41.1245 176.4979 87 T 4.3206 7.8287 117.4418 63.4754 69.0247 173.8816 88 A 4.2851 8.1460 127.2640 52.0638 23.9616 174.5426 89 V 4.5242 7.7506 118.9555 62.3172 33.1040 174.3345 90 Y 5.1138 9.0606 125.9399 56.6530 40.3537 174.1332 91 Y 5.0922 9.2142 121.9030 56.2495 41.1516 174.3108 92 C 4.2900 8.8399 123.5781 56.1231 42.9328 171.9716 93 A 5.8486 8.4534 125.8812 50.7834 22.6519 174.9943 94 A 4.6224 9.6964 123.3176 50.8544 23.5344 174.5145 95 G 4.0689 7.7952 102.1908 43.7847 0.0000 172.0135 96 P 4.1230 0.0000 0.0000 61.7974 32.9340 177.5417 97 G 3.8072 8.3403 106.6561 45.4399 0.0000 172.8977 98 S 4.8999 8.3065 113.0329 56.7285 66.6531 173.7769 99 G 3.7995 8.8553 107.5872 45.7257 0.0000 171.2672 100 K 5.9558 8.1682 117.6851 54.9040 37.0229 175.6805 100A L 4.8161 8.4132 122.6853 53.6007 45.0035 175.2728 100B V 4.5896 8.4775 127.3190 61.3902 32.4766 175.1613 100C V 4.2248 8.4530 128.0917 62.0097 34.1555 175.2014 100D A 3.7030 9.7006 129.0461 53.2934 15.8628 178.3179 100E G 3.9827 8.5262 107.5981 46.8383 0.0000 174.3724 100F R 4.7757 7.6957 119.2671 54.5278 32.7472 175.1758 100G T 4.8808 8.3268 112.4562 59.9642 71.3586 173.9378 100H C 4.5892 8.7005 125.5386 54.9160 45.4609 172.1364 100I Y 4.7596 8.5385 125.2603 57.6622 38.0112 174.8696 100J G 4.0891 9.2338 114.7959 45.3176 0.0000 173.0298 100K P 4.4597 0.0000 0.0000 63.8040 31.4724 175.8507 101 N 4.3124 7.7189 121.1567 52.5661 36.0386 173.7545 102 Y 4.5075 6.9955 114.5149 55.7572 40.7391 174.8580 103 W 5.7055 8.6894 122.2741 55.2155 32.5908 174.4921 104 G 4.2843 8.7854 108.6173 44.5878 0.0000 174.5846 105 Q 4.1518 8.8420 117.5163 56.5802 29.0277 174.9316 106 G 3.5189 7.8107 111.9937 45.4714 0.0000 172.5929 107 T 4.5816 8.5520 119.2126 60.0451 70.2267 172.8435 108 Q 4.3254 8.6196 129.9132 55.9047 30.5053 174.3683 109 V 4.8974 8.7201 126.2874 61.4790 34.7781 174.4074 110 T 4.8760 8.7886 123.1259 61.9449 72.7714 174.4175 111 V 4.7897 8.7611 125.2668 62.1150 31.7475 174.8894 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 Q 8.33 4.25 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 2 V 7.93 3.74 1.60 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 -0.22 0.00 0.00 0.03 0.00 0.00 3 Q 9.06 4.36 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 4 L 8.62 4.84 0.00 1.79 1.62 0.99 0.75 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 5 V 8.53 4.55 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 0.93 0.00 0.00 0.93 0.00 0.00 6 A 8.62 5.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.48 4.56 0.00 3.64 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 8 G 8.40 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 9 G 7.37 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 0.00 0.00 0.00 10 G 8.07 3.69 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 0.00 0.00 0.00 11 S 8.24 5.45 0.00 3.86 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 12 V 8.39 4.48 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 0.57 0.00 0.00 0.91 0.00 0.00 13 Q 8.60 4.56 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 14 A 8.54 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 15 G 9.31 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 0.00 0.00 0.00 16 G 8.08 3.99 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 0.00 0.00 0.00 17 S 8.38 5.48 0.00 3.69 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 18 L 8.65 4.68 0.00 1.31 1.28 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.43 4.76 0.00 1.75 1.69 0.00 3.07 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 20 L 8.24 4.78 0.00 0.64 1.40 0.36 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.64 5.23 0.00 3.80 3.67 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 22 C 8.68 5.60 0.00 2.71 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 23 A 9.20 5.22 1.20 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 0.00 0.00 0.00 24 A 8.09 4.99 1.17 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 0.00 0.00 0.00 25 S 8.34 4.53 0.00 3.74 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 *28 T 7.91 4.08 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 1.07 0.00 0.00 29 F 8.89 4.93 0.00 3.05 2.92 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 30 S 9.04 4.80 0.00 4.06 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 31 S 8.23 4.46 0.00 3.58 3.47 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 32 Y 7.73 4.98 0.00 2.81 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 33 P 0.00 4.75 0.00 1.94 2.09 0.00 3.94 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 34 M 8.87 5.07 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 35 G 9.21 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 0.00 0.00 0.00 0.00 36 W 9.10 5.63 0.00 3.31 3.26 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 37 Y 9.30 5.23 0.00 2.80 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 38 R 9.21 4.89 0.00 0.68 0.90 0.00 2.44 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 39 Q 9.14 4.76 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 40 A 8.49 4.79 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 41 P 0.00 4.37 0.00 2.20 2.10 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 42 G 8.98 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 0.00 0.00 0.00 43 K 7.67 4.65 0.00 1.83 1.69 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 44 E 8.43 4.10 0.00 1.94 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 2.30 2.26 0.00 45 C 8.51 4.55 0.00 2.95 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 46 E 9.13 4.89 0.00 2.05 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 2.19 2.22 0.00 47 L 8.56 3.79 0.00 1.52 1.48 -0.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.36 4.58 0.00 4.06 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 49 A 7.55 5.01 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 50 R 8.48 4.82 0.00 1.64 1.45 0.00 2.51 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 51 I 8.66 4.77 1.90 0.00 0.00 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 1.28 1.54 0.99 0.00 0.00 52 F 9.43 4.76 0.00 3.18 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 53 S 9.06 4.12 0.00 3.91 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 54 D 8.06 4.44 0.00 2.84 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 55 G 8.42 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 0.00 0.00 0.00 0.00 56 S 8.02 4.59 0.00 3.98 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 57 A 8.47 5.24 0.96 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 58 N 8.72 5.16 0.00 2.57 2.70 0.00 0.00 7.13 8.10 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 59 Y 8.31 5.37 0.00 2.84 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 60 A 9.05 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.23 4.27 0.00 2.91 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 62 S 7.98 4.08 0.00 3.94 3.99 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 63 V 8.17 3.73 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 0.46 0.00 0.00 1.08 0.00 0.00 64 K 7.09 3.48 0.00 1.62 1.83 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.34 7.81 65 G 8.64 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 0.00 0.00 0.00 66 R 8.28 4.56 0.00 1.52 2.02 0.00 3.19 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 67 F 7.95 5.74 0.00 2.80 2.86 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 68 T 8.87 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 1.31 0.00 0.00 69 I 8.95 4.87 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 0.88 0.00 0.00 70 S 9.05 4.93 0.00 4.01 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 71 R 8.72 5.21 0.00 1.88 2.02 0.00 3.05 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 72 D 8.76 4.79 0.00 3.05 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 73 N 8.63 4.67 0.00 3.01 3.08 0.00 0.00 7.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.20 4.48 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 75 A 8.17 4.31 1.30 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 0.00 0.00 0.00 76 N 8.18 4.25 0.00 2.81 2.79 0.00 0.00 6.54 7.05 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 77 T 7.30 4.99 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 1.27 0.00 0.00 78 A 8.41 5.23 1.30 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 0.00 0.00 0.00 79 Y 9.77 5.29 0.00 2.88 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 80 L 8.45 4.69 0.00 0.27 0.13 0.78 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.94 4.43 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 82 M 9.02 4.35 0.00 1.08 1.60 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.81 0.00 82A D 9.08 5.19 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 82B S 8.57 3.70 0.00 3.95 3.88 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 82C L 7.81 4.40 0.00 1.83 1.64 0.84 0.77 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 83 K 9.41 4.94 0.00 1.84 1.84 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.50 7.81 84 P 0.00 4.22 0.00 2.23 2.34 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 85 E 8.08 4.11 0.00 1.98 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 2.32 2.40 0.00 86 D 8.61 4.75 0.00 2.92 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 87 T 7.83 4.32 4.36 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 1.28 0.00 0.00 88 A 8.15 4.29 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 0.00 0.00 89 V 7.75 4.52 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 0.33 0.00 0.00 0.88 0.00 0.00 90 Y 9.06 5.11 0.00 2.96 3.10 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 91 Y 9.21 5.09 0.00 2.68 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 92 C 8.84 4.29 0.00 2.48 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 93 A 8.45 5.85 1.57 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 94 A 9.70 4.62 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 95 G 7.80 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 0.00 0.00 0.00 96 P 0.00 4.12 0.00 1.73 0.49 0.00 3.73 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 97 G 8.34 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 98 S 8.31 4.90 0.00 4.02 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 99 G 8.86 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 0.00 100 K 8.17 5.96 0.00 1.50 1.39 0.00 1.70 0.00 0.00 2.19 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.25 7.81 100A L 8.41 4.82 0.00 1.10 0.98 -0.32 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 100B V 8.48 4.59 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 0.77 0.00 0.00 0.86 0.00 0.00 100C V 8.45 4.22 1.97 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 0.97 0.00 0.00 0.77 0.00 0.00 100D A 9.70 3.70 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 100E G 8.53 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 100F R 7.70 4.78 0.00 1.84 1.78 0.00 3.07 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 100G T 8.33 4.88 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 1.12 0.00 0.00 100H C 8.70 4.59 0.00 2.58 2.42 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 100I Y 8.54 4.76 0.00 2.97 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 100J G 9.23 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 0.00 0.00 0.00 0.00 100K P 0.00 4.46 0.00 2.37 2.15 0.00 4.40 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 101 N 7.72 4.31 0.00 2.34 2.02 0.00 0.00 6.85 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.00 4.51 0.00 2.97 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 0.00 103 W 8.69 5.71 0.00 3.11 2.81 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 0.00 104 G 8.79 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 0.00 0.00 0.00 0.00 105 Q 8.84 4.15 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 106 G 7.81 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 4.58 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 1.30 0.00 0.00 108 Q 8.62 4.33 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 109 V 8.72 4.90 2.35 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 0.84 0.00 0.00 0.56 0.00 0.00 110 T 8.79 4.88 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 1.22 0.00 0.00 111 V 8.76 4.79 2.21 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 1.18 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.