NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.3460 8.4145 122.1404 54.6787 33.4628 176.2900 10 R 4.5889 8.7440 122.4387 53.4920 31.6399 172.4632 11 V 4.6192 9.1160 125.0349 62.3117 32.5141 176.9825 *12 F 3.3691 9.4216 121.1067 59.4413 38.9568 179.2993 13 K 3.6283 9.2639 116.0021 58.8317 30.3354 182.9929 14 T 4.6252 8.9817 108.8332 61.0753 72.5406 176.7006 *15 H 4.7744 7.9815 126.0894 52.4752 30.3139 172.4930 16 S 3.8589 9.2370 128.1688 59.3268 60.4747 174.9542 *17 Y 4.3733 8.7279 125.4856 59.0840 38.2380 176.6135 18 R 4.4661 8.3621 118.4320 54.6982 37.7400 173.7456 19 G 3.9217 8.7424 108.5900 45.5615 0.0000 174.6657 20 V 3.9617 8.1019 116.8064 61.2797 30.3342 172.4612 21 D 4.8319 7.7256 122.5076 52.7316 42.4222 177.6664 22 L 3.7350 8.2173 119.3178 56.5159 40.4684 178.7719 23 E 3.8682 8.1365 114.2390 60.2065 29.3788 180.0037 24 K 4.6300 8.6801 118.8835 55.8014 34.0605 180.1554 25 L 4.7982 7.5053 124.7837 54.3735 39.5911 183.1900 26 L 4.0771 9.2923 121.2740 59.1757 40.6291 179.7631 27 E 4.0267 7.6152 117.0905 59.3432 29.6755 179.3801 28 M 3.8819 9.4367 118.0676 56.1606 30.7844 178.0773 29 S 3.7671 8.7005 127.7883 57.9125 58.7999 170.7637 30 T 4.1832 8.4279 119.5196 62.4312 68.4726 174.4628 31 E 4.7257 7.9189 117.7991 56.9996 30.5749 183.0605 32 D 4.3869 8.3536 122.5941 56.5892 39.5129 181.6676 *33 F 4.1488 8.6383 122.6778 60.1893 38.8549 181.1577 34 V 3.8074 7.4048 120.0314 61.2573 30.4309 182.3663 35 K 4.2990 8.3547 133.3882 54.6293 35.3241 174.5659 36 L 3.6539 8.0628 125.3563 54.3539 41.5791 175.0085 37 A 3.6429 8.8243 131.1805 51.5796 14.5911 174.4113 38 P 4.7754 0.0000 0.0000 63.7845 34.0706 176.3628 39 A 4.1750 7.9373 123.6464 55.2152 18.7441 180.5118 40 R 3.9705 8.1312 115.7329 59.3942 29.8188 182.9583 41 V 3.6587 7.2923 114.6419 64.6895 31.5170 181.8621 42 R 4.4163 8.0142 121.1773 56.0120 28.0518 179.3355 43 R 4.6779 8.0997 125.1550 55.2752 31.1007 174.4597 44 R 4.3036 7.9289 116.8785 56.8882 30.9252 177.9855 *45 F 4.2589 8.5701 123.3084 56.2864 38.6805 173.6326 46 A 4.6815 7.8199 121.3140 51.0360 17.8085 176.6422 47 R 4.3162 7.7418 116.2150 56.0215 33.3132 175.8866 48 G 3.8785 10.1164 110.7102 46.9903 0.0000 173.9871 49 M 4.2175 7.8837 117.1501 54.9272 33.6102 174.1764 50 T 4.4183 8.5380 122.2042 57.9009 68.3197 171.8955 51 S 4.2464 8.7184 132.1000 57.2587 66.7576 176.1430 52 K 4.0932 10.1986 135.0000 54.9980 31.2646 176.1368 53 P 5.2427 0.0000 0.0000 60.8459 33.8459 173.7869 54 A 4.7936 8.3920 123.9962 52.7149 19.6822 176.3700 55 G 4.0767 8.5599 105.2868 47.0378 0.0000 175.8739 *56 F 4.2375 7.9955 123.7580 61.7881 37.9175 179.5706 57 M 4.4955 8.1730 120.1317 59.9295 30.9506 183.9964 58 K 4.4416 8.0320 124.1940 60.2600 31.9278 184.6842 59 K 4.5262 7.8633 124.8061 60.6383 32.0270 184.8876 60 L 4.1103 8.1308 124.5308 58.1280 40.6526 181.9354 61 R 4.5777 9.1923 120.8491 58.2337 29.7291 182.0788 62 A 4.6333 9.0723 118.8561 51.8184 17.2724 176.9670 63 A 4.6378 7.6141 130.6410 53.8133 26.3000 179.1241 64 K 4.1816 9.0123 119.2499 58.4809 32.7910 180.3701 65 L 4.7215 7.0377 125.2594 51.2377 39.5448 181.6199 66 A 3.5253 9.6908 110.6423 54.6309 14.8974 170.3790 67 A 3.5763 8.3884 130.7952 52.0129 18.7642 177.3038 68 P 4.0098 0.0000 0.0000 65.0790 27.8450 171.1413 69 E 3.8066 8.0556 120.4317 57.4730 26.7034 177.2387 70 N 4.7894 8.2350 114.5975 53.7191 38.0754 177.7442 71 E 4.6717 8.0111 117.6548 58.5923 29.5851 181.0480 72 K 4.2429 6.9851 122.8521 52.9249 33.1237 177.3080 73 P 4.8114 0.0000 0.0000 62.7123 35.2760 169.9990 74 A 4.8907 8.0035 123.7230 53.4407 22.0032 177.6784 75 P 4.2818 0.0000 0.0000 63.1101 30.2433 179.6538 76 V 3.2409 9.2971 115.0179 62.6895 28.2169 173.7243 77 R 4.9666 7.1392 122.0322 55.4576 32.5567 178.7174 78 T 4.1088 8.4292 108.2902 61.0827 70.9392 173.9101 *79 H 3.9587 8.7908 126.2614 54.9802 28.4213 172.8839 80 M 5.0569 8.3483 132.7365 54.7272 33.9605 174.0387 81 R 4.2972 8.3116 119.9091 58.9322 29.9758 180.0870 82 N 4.4884 8.1217 117.3233 56.5906 38.3074 180.5704 83 M 4.1855 8.3060 123.1868 56.2262 32.1776 179.0375 84 I 4.3076 8.7488 127.0281 59.9373 36.9317 172.7755 85 I 3.3029 8.5456 128.7335 62.9702 34.2471 177.7657 86 V 2.5873 7.7641 122.3837 60.8261 32.4029 173.3356 87 P 4.9139 0.0000 0.0000 63.0372 31.9758 179.6037 88 E 4.3488 8.3257 115.5359 58.7376 29.9323 181.1973 89 M 4.2176 8.1563 119.9399 57.0285 32.3126 184.2883 90 I 3.3990 7.6798 118.8074 59.6581 35.5185 176.2258 91 G 4.7657 8.2121 110.5834 46.5157 0.0000 173.1843 92 S 4.7755 7.8168 125.4950 59.7583 69.7521 173.3209 93 V 5.1827 8.5275 119.3486 62.8631 35.2725 172.3778 94 V 5.1773 7.8293 123.4651 57.4673 35.8799 172.7576 95 G 4.0293 8.6352 113.4988 46.2676 0.0000 173.3578 96 I 4.4915 8.5790 126.4322 61.1082 33.4743 176.3697 *97 Y 4.4114 8.0426 131.7036 57.9801 38.0814 177.1011 98 N 4.9190 8.6602 109.2371 54.4889 40.8544 172.3993 99 G 4.1401 8.8920 111.3584 46.5162 0.0000 177.3388 100 K 4.3233 8.6991 122.7308 52.4505 30.9530 177.7498 101 A 4.6031 7.6328 128.7281 48.8265 25.9457 176.6591 *102 F 3.9038 8.4307 115.6732 55.5173 36.4363 178.4475 103 N 4.5811 8.2243 121.6518 55.1158 38.6109 177.0356 104 Q 4.8290 8.4318 121.4675 55.9755 30.3769 177.4557 105 V 4.2024 7.6101 118.8337 61.2500 36.6266 173.7349 106 E 4.9919 9.2494 126.7528 55.6643 30.6365 174.6212 107 I 4.4570 7.7965 123.4059 60.2996 34.5417 177.0882 108 R 4.3994 7.7326 129.0584 56.9817 30.3789 179.6940 109 P 4.2782 0.0000 0.0000 65.4843 30.8699 175.6224 110 E 3.9165 8.5204 116.5002 59.5005 29.5208 181.4341 111 M 4.6870 8.0335 120.1737 53.2914 33.0837 177.3314 112 L 4.8275 8.2907 127.4933 53.3671 43.3583 176.7922 113 G 4.0781 8.3003 117.3386 47.7578 0.0000 178.3641 *114 H 4.7459 9.2525 133.7718 56.0143 31.1572 175.0313 *115 Y 4.1650 8.6056 118.0591 58.8355 38.4713 173.4834 116 L 3.4402 8.8713 120.2055 58.3909 41.1309 178.9446 117 G 3.7453 8.1318 107.0791 47.0369 0.0000 174.2684 118 E 4.3065 8.8958 121.0146 57.5329 31.0128 181.2451 *119 F 4.6291 7.4477 120.1542 56.0540 38.1245 180.2874 120 S 4.7810 8.0360 115.7213 61.0663 64.8130 177.3929 121 I 3.5102 6.6129 123.3467 58.3193 37.5198 177.3772 122 T 4.6430 8.5250 116.3452 60.9724 69.7458 174.1221 *123 Y 4.2596 7.8643 121.1200 59.1941 38.6996 181.1588 124 T 3.5504 7.9263 111.4192 59.4697 65.3970 172.7054 125 P 5.5969 0.0000 0.0000 62.7918 33.6956 177.6012 126 V 3.5827 7.7951 122.0278 63.5290 31.6161 180.3268 127 R 4.2311 7.8028 116.0115 56.7534 29.1993 181.7615 *128 H 4.1157 8.7026 112.5872 56.3297 28.2242 176.2788 129 G 3.7958 8.4200 111.6360 44.9889 0.0000 172.1871 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 9 K 8.41 4.35 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 10 R 8.74 4.59 0.00 1.90 1.82 0.00 3.39 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 11 V 9.12 4.62 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 0.60 0.00 0.00 0.93 0.00 0.00 *12 F 9.42 3.37 0.00 2.44 2.29 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 13 K 9.26 3.63 0.00 1.64 1.51 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.41 1.30 7.81 14 T 8.98 4.63 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 *15 H 7.98 4.77 0.00 2.69 2.84 0.00 7.29 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 9.24 3.86 0.00 3.79 3.61 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 *17 Y 8.73 4.37 0.00 2.23 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 0.00 0.00 0.00 0.00 18 R 8.36 4.47 0.00 1.76 1.57 0.00 3.24 0.00 0.00 3.23 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.13 0.00 19 G 8.74 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 20 V 8.10 3.96 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 0.73 0.00 0.00 0.93 0.00 0.00 21 D 7.73 4.83 0.00 2.66 2.44 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 22 L 8.22 3.73 0.00 1.69 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.14 3.87 0.00 1.97 1.70 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 2.24 1.91 0.00 24 K 8.68 4.63 0.00 1.77 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.00 7.81 25 L 7.51 4.80 0.00 1.55 0.75 0.92 0.75 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 26 L 9.29 4.08 0.00 1.65 1.64 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.62 4.03 0.00 2.03 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 0.00 2.26 2.13 0.00 28 M 9.44 3.88 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 29 S 8.70 3.77 0.00 3.82 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 30 T 8.43 4.18 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 31 E 7.92 4.73 0.00 1.94 1.80 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 2.12 1.83 0.00 32 D 8.35 4.39 0.00 2.55 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 *33 F 8.64 4.15 0.00 2.19 2.36 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 34 V 7.40 3.81 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 0.93 0.00 0.00 35 K 8.35 4.30 0.00 1.72 1.68 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.10 0.82 7.81 36 L 8.06 3.65 0.00 1.88 1.60 0.92 0.83 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 37 A 8.82 3.64 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 38 P 0.00 4.78 0.00 1.95 1.94 0.00 3.73 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 1.90 1.54 0.00 39 A 7.94 4.18 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 40 R 8.13 3.97 0.00 1.84 1.86 0.00 3.30 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 41 V 7.29 3.66 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 0.93 0.00 0.00 42 R 8.01 4.42 0.00 1.82 1.80 0.00 3.19 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 43 R 8.10 4.68 0.00 1.75 1.73 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 44 R 7.93 4.30 0.00 1.76 1.72 0.00 3.25 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 *45 F 8.57 4.26 0.00 2.29 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 0.00 0.00 0.00 0.00 46 A 7.82 4.68 1.23 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 0.00 0.00 47 R 7.74 4.32 0.00 1.78 1.64 0.00 3.26 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.00 48 G 10.12 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 0.00 0.00 0.00 49 M 7.88 4.22 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.96 0.00 50 T 8.54 4.42 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 51 S 8.72 4.25 0.00 3.57 3.44 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 52 K 10.20 4.09 0.00 1.95 1.82 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.99 7.81 53 P 0.00 5.24 0.00 2.02 0.87 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 54 A 8.39 4.79 1.15 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 55 G 8.56 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 *56 F 8.00 4.24 0.00 2.30 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 0.00 0.00 0.00 0.00 57 M 8.17 4.50 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.17 0.00 58 K 8.03 4.44 0.00 1.86 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.34 7.81 59 K 7.86 4.53 0.00 1.70 1.82 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.31 7.81 60 L 8.13 4.11 0.00 1.73 1.64 0.92 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 61 R 9.19 4.58 0.00 1.76 1.24 0.00 3.23 0.00 0.00 3.17 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 62 A 9.07 4.63 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 63 A 7.61 4.64 1.27 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 64 K 9.01 4.18 0.00 1.75 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.27 7.81 65 L 7.04 4.72 0.00 1.69 0.89 0.92 0.91 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 66 A 9.69 3.53 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 67 A 8.39 3.58 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 68 P 0.00 4.01 0.00 2.22 1.92 0.00 3.90 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 1.85 1.56 0.00 69 E 8.06 3.81 0.00 2.00 1.92 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 2.23 1.85 0.00 70 N 8.24 4.79 0.00 2.74 2.73 0.00 0.00 6.76 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 71 E 8.01 4.67 0.00 1.95 1.80 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 2.17 2.09 0.00 72 K 6.99 4.24 0.00 1.78 1.62 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.07 7.81 73 P 0.00 4.81 0.00 2.19 1.97 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 74 A 8.00 4.89 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 75 P 0.00 4.28 0.00 2.10 1.56 0.00 3.82 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 1.94 1.59 0.00 76 V 9.30 3.24 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 0.63 0.00 0.00 0.93 0.00 0.00 77 R 7.14 4.97 0.00 1.79 1.70 0.00 3.28 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 78 T 8.43 4.11 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 *79 H 8.79 3.96 0.00 2.92 2.95 0.00 7.27 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 M 8.35 5.06 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.87 0.00 81 R 8.31 4.30 0.00 1.82 1.87 0.00 3.23 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 82 N 8.12 4.49 0.00 2.74 2.75 0.00 0.00 6.63 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 83 M 8.31 4.19 0.00 1.69 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 84 I 8.75 4.31 1.87 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 1.20 1.10 0.91 0.00 0.00 85 I 8.55 3.30 1.87 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 1.09 1.08 0.91 0.00 0.00 86 V 7.76 2.59 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 87 P 0.00 4.91 0.00 1.97 2.01 0.00 3.69 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 1.93 1.55 0.00 88 E 8.33 4.35 0.00 1.98 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 2.23 1.87 0.00 89 M 8.16 4.22 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.09 0.00 90 I 7.68 3.40 1.87 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 1.23 0.98 0.91 0.00 0.00 91 G 8.21 4.77 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 0.00 0.00 0.00 92 S 7.82 4.78 0.00 3.37 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 5.18 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 1.15 0.00 0.00 0.93 0.00 0.00 94 V 7.83 5.18 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 0.84 0.00 0.00 0.93 0.00 0.00 95 G 8.64 4.03 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 0.00 0.00 0.00 96 I 8.58 4.49 1.87 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 1.09 0.73 0.91 0.00 0.00 *97 Y 8.04 4.41 0.00 2.09 2.15 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 98 N 8.66 4.92 0.00 2.68 2.63 0.00 0.00 6.82 7.51 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 99 G 8.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.32 0.00 1.78 1.64 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 0.99 7.81 101 A 7.63 4.60 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 *102 F 8.43 3.90 0.00 2.45 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 0.00 0.00 0.00 0.00 103 N 8.22 4.58 0.00 2.40 2.75 0.00 0.00 6.81 7.68 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 0.00 104 Q 8.43 4.83 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.22 1.92 0.00 105 V 7.61 4.20 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 0.53 0.00 0.00 0.93 0.00 0.00 106 E 9.25 4.99 0.00 1.75 1.77 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 2.23 1.73 0.00 107 I 7.80 4.46 1.87 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 1.20 0.63 0.91 0.00 0.00 108 R 7.73 4.40 0.00 1.50 1.85 0.00 3.22 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.00 109 P 0.00 4.28 0.00 1.85 2.00 0.00 3.76 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 1.94 1.60 0.00 110 E 8.52 3.92 0.00 1.97 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 0.00 2.25 1.92 0.00 111 M 8.03 4.69 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 112 L 8.29 4.83 0.00 1.65 1.56 0.92 0.83 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 0.00 113 G 8.30 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 *114 H 9.25 4.75 0.00 2.62 2.91 0.00 7.17 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *115 Y 8.61 4.16 0.00 1.99 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 0.00 0.00 0.00 0.00 116 L 8.87 3.44 0.00 1.35 1.57 0.92 0.67 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 0.00 117 G 8.13 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 0.00 118 E 8.90 4.31 0.00 1.95 1.86 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 2.19 2.11 0.00 *119 F 7.45 4.63 0.00 2.29 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 0.00 0.00 0.00 0.00 120 S 8.04 4.78 0.00 3.56 3.63 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 0.00 121 I 6.61 3.51 1.87 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 1.27 1.07 0.91 0.00 0.00 122 T 8.52 4.64 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 *123 Y 7.86 4.26 0.00 2.31 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 0.00 0.00 0.00 0.00 124 T 7.93 3.55 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 0.00 125 P 0.00 5.60 0.00 2.10 2.14 0.00 3.73 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 1.80 1.30 0.00 126 V 7.80 3.58 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 0.86 0.00 0.00 0.93 0.00 0.00 127 R 7.80 4.23 0.00 2.03 1.90 0.00 3.27 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 *128 H 8.70 4.12 0.00 2.92 2.93 0.00 7.11 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 0.00 129 G 8.42 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 * Residues marked with a * may have inaccurate shift predictions.