NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1150 8.1933 115.3246 57.3197 64.5913 174.5008 3 W 4.3783 8.2656 120.6396 59.2345 28.7284 177.1411 4 Q 4.1040 8.3990 119.3996 59.2242 28.9976 177.7655 5 S 4.1756 8.2198 114.3505 61.5039 62.3835 175.6233 6 Y 4.2454 7.8272 119.5303 60.9883 37.3326 178.9994 7 V 3.6901 7.6629 117.9362 66.1793 31.8790 177.5959 8 D 4.5312 8.3518 117.5329 57.3015 40.8712 177.9088 9 D 4.7024 8.5121 116.7259 54.8407 41.4735 176.7475 10 H 4.7424 8.1257 114.2396 57.6289 30.3898 176.1860 11 L 4.3701 7.8229 116.5151 55.4361 41.2227 176.7624 *13 C 4.3549 7.8566 115.0005 59.5804 29.2100 173.4423 14 D 4.8257 8.4699 122.5219 54.0221 41.4221 176.2601 15 V 4.2880 8.9521 123.3021 62.1113 33.8348 175.2354 16 E 3.8900 10.1055 126.5091 57.4028 26.9053 175.7286 17 G 3.9996 8.8405 105.9334 45.3675 0.0000 173.3545 18 N 5.1678 8.2224 116.5961 51.6823 42.3483 172.6516 19 H 5.2079 8.1233 113.5699 53.6572 31.6895 173.1137 20 L 4.2764 8.5690 119.7029 55.7547 41.9827 177.9952 21 T 4.2793 8.9155 119.1385 66.7610 69.0039 174.6254 22 A 4.9374 8.1488 119.7873 51.3694 22.7324 175.0520 23 A 5.4320 9.2989 120.1423 51.4537 23.4350 175.1267 24 A 4.5912 8.4933 118.7030 51.2098 23.4138 175.6338 25 I 4.9045 8.6198 120.4136 59.5893 40.3653 174.9521 26 L 4.6430 8.6458 127.2005 52.2941 45.0929 176.7028 27 G 2.8337 7.5285 109.0625 45.4413 0.0000 174.7947 28 Q 4.1577 8.1223 119.2673 57.4092 28.6891 177.3599 29 D 4.4566 7.8009 116.6049 53.8735 40.0269 177.2763 30 G 3.9732 8.1667 109.3513 45.2935 0.0000 174.3298 31 S 4.2467 8.0429 116.5240 58.1727 63.4568 173.5593 32 V 4.0255 8.1864 123.8393 62.4106 31.8649 175.6603 33 W 4.7403 8.7639 127.7563 59.1318 29.7821 176.7922 34 A 4.8932 7.7925 118.7906 51.1365 21.9665 175.1092 35 Q 4.8949 8.4501 117.4732 54.9419 32.2986 174.2319 36 S 4.5957 9.0296 115.3900 56.8075 64.6454 175.0369 37 A 4.0254 8.6803 123.3323 55.0477 17.9768 178.6410 38 K 4.4238 7.9353 111.7408 55.9531 32.4941 176.3191 39 F 4.0402 7.9842 122.7755 57.4028 39.6629 173.3786 40 P 4.3211 0.0000 0.0000 62.2386 31.7372 175.6432 41 Q 4.2397 8.3209 118.8368 55.5039 29.4808 175.4812 42 L 4.6433 8.2074 122.4455 53.1678 43.7869 176.3918 43 K 4.4123 8.8696 121.1348 55.0986 33.3773 176.4921 44 P 4.2870 0.0000 0.0000 65.9783 31.2116 179.1066 45 Q 4.0131 8.1076 115.6738 59.2327 28.4063 178.3696 46 E 4.0938 8.2086 120.8025 59.2398 29.5487 179.1781 47 I 3.8699 7.7561 119.5308 64.3491 37.2116 177.9786 48 D 4.4853 8.5467 120.2470 57.3633 40.6556 179.0853 49 G 3.7809 8.4036 106.2968 47.8455 0.0000 175.7862 50 I 3.5901 7.9943 122.2264 64.1586 37.1624 178.7402 51 K 4.1975 8.2315 119.3066 59.3619 31.8370 179.4049 52 K 3.8438 8.2500 120.1197 59.4042 31.5791 178.4559 53 D 4.6289 8.3368 118.5005 57.2934 41.0927 178.2556 54 F 4.4987 8.1251 118.5905 60.3099 38.6440 177.2967 55 E 4.2205 8.0820 118.4242 57.5453 30.8351 176.4201 56 E 4.5921 8.6449 119.5241 52.5837 29.9850 172.1589 57 P 4.4894 0.0000 0.0000 63.5377 32.3113 177.0527 58 G 3.9857 9.0232 110.3369 45.1363 0.0000 174.9074 59 F 4.2445 7.9391 121.2919 61.4101 39.5087 176.4982 60 L 3.7848 8.6704 119.9106 56.6933 41.9468 179.0053 61 A 3.9567 7.4168 120.9496 54.9149 18.3189 176.9257 62 P 4.3683 0.0000 0.0000 65.2493 31.3617 177.4379 63 T 4.4040 7.6079 104.2357 60.1970 70.1273 173.9279 64 G 3.8587 7.9894 109.9417 44.4496 0.0000 173.1514 65 L 4.4364 8.6464 122.7947 53.3364 42.5705 175.4607 66 F 5.1357 8.8045 125.1406 55.8504 40.8035 175.5509 67 L 4.7443 8.8104 124.8474 54.0596 44.4779 176.7643 68 G 3.7468 10.1229 112.2932 46.3644 0.0000 174.2320 69 G 4.0238 9.1277 107.6152 44.9807 0.0000 174.0045 70 E 4.4831 8.0627 120.4143 54.6132 30.7611 175.1975 71 K 3.7322 8.4060 125.0218 55.8701 33.9834 175.0054 72 Y 4.6746 8.1013 124.1077 57.1314 41.5041 176.3117 *74 V 4.3046 8.4114 127.1477 63.7996 32.4313 174.0575 75 I 4.6593 8.4346 120.3278 58.2287 40.9928 174.6738 76 Q 3.8508 8.8081 122.9078 57.2097 28.8127 176.1494 77 G 4.4012 8.5002 116.5713 44.1306 0.0000 170.8137 78 E 4.5135 8.7416 121.2389 53.9327 31.8188 176.0742 79 Q 4.0160 8.9740 124.9077 57.7576 28.9094 177.8328 80 G 4.5189 9.2220 109.9200 45.3203 0.0000 173.2223 81 A 4.3823 8.5426 120.4686 52.4466 22.2191 176.7312 82 V 5.0504 7.8316 113.9769 61.4206 35.3282 174.2308 83 I 4.7752 8.9320 128.3221 59.5945 39.9884 174.8510 84 R 5.0696 8.4489 123.8525 54.6466 34.6019 174.3345 85 G 4.6324 8.9153 108.2263 45.0340 0.0000 171.3960 86 K 5.2924 8.6006 118.1050 54.5594 36.3332 176.4429 87 K 3.8368 8.8112 124.7183 55.7615 34.0049 175.9968 88 G 3.9828 8.3944 119.3515 45.5201 0.0000 172.2538 89 P 4.3666 0.0000 0.0000 64.9725 31.9069 176.0594 90 G 3.7664 7.6536 106.2190 46.0188 0.0000 170.3749 91 G 4.2053 6.6583 105.1465 46.6438 0.0000 172.0211 92 V 4.8974 7.4786 118.0767 61.2054 35.2512 173.1859 93 T 5.0547 8.6940 117.8844 61.9516 72.7910 173.0237 94 I 4.6098 8.7690 126.2865 59.2668 40.6784 174.1361 95 K 4.8870 8.8874 129.2331 54.3670 34.4781 174.6231 96 K 4.4692 8.5521 129.9433 55.6486 33.0586 175.8836 97 T 4.7234 7.8676 117.7547 59.7108 71.4447 173.2645 98 N 4.4529 8.6988 117.3820 56.1920 38.8980 175.9268 99 Q 4.4887 8.3520 113.8201 54.9849 31.0870 173.9825 100 A 4.8338 8.0286 118.9663 49.7976 23.4817 174.4084 101 L 4.8708 8.5547 117.4474 53.1974 45.3623 176.3564 102 V 4.6537 8.6770 124.9478 61.3902 33.4017 174.4379 103 F 5.3096 9.5956 127.0795 55.7728 42.3698 174.9827 104 G 4.5490 8.8535 109.1582 44.9373 0.0000 171.2024 105 F 5.5875 9.7476 125.1756 55.9203 41.7717 174.5231 106 Y 5.3964 8.9376 120.2789 55.5586 41.8040 173.7719 107 D 5.2643 8.7139 118.4681 52.0060 45.1402 175.3347 108 E 4.2315 8.9987 119.0714 56.2821 30.3159 175.7796 109 P 4.3615 0.0000 0.0000 62.3108 30.4912 176.0691 *111 T 4.1713 7.9878 115.7982 61.3717 71.2311 174.6871 112 G 3.2914 8.2428 107.7324 47.7672 0.0000 176.1175 113 G 3.6377 7.8512 107.4983 47.6923 0.0000 175.7148 114 Q 3.9802 7.7698 120.2091 58.6318 28.7004 178.2650 115 C 4.0512 7.8615 119.8030 62.4277 31.5274 175.1333 116 N 4.2586 8.4152 118.5139 56.3044 38.0727 176.9686 117 L 3.9230 7.8891 121.2872 58.3747 42.0957 179.4822 118 V 3.6280 7.6538 112.0717 64.3436 31.5055 178.9025 119 V 3.6162 7.9429 117.9323 66.1886 31.3919 178.0627 120 E 4.0266 8.5466 119.0249 59.2024 29.2911 179.5028 121 R 3.9536 8.3434 116.6634 59.1015 29.3875 178.8023 122 L 4.1248 7.9130 121.2977 57.8718 42.0636 179.0387 123 G 3.6476 8.1846 105.6999 48.0845 0.0000 175.3610 124 D 4.3407 8.5003 121.6561 57.1280 40.8215 178.2714 125 Y 4.0107 8.1443 120.1151 60.5702 38.8387 177.9533 126 L 3.7367 8.2068 120.2347 57.7671 41.6955 179.5230 127 I 3.6260 7.9107 119.8945 64.5907 36.8751 178.4667 128 E 3.9556 8.0040 117.6975 58.7992 29.2657 178.5390 129 S 4.3072 7.3156 113.0937 57.7669 62.9462 174.0657 130 E 3.8056 7.9191 119.9926 57.1506 27.4295 174.5213 131 L 4.4471 8.2908 125.4744 54.9791 42.0364 176.3969 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 2 S 8.19 4.12 0.00 3.93 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 3 W 8.27 4.38 0.00 3.63 3.49 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 0.00 0.00 0.00 0.00 4 Q 8.40 4.10 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.25 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 5 S 8.22 4.18 0.00 3.79 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 6 Y 7.83 4.25 0.00 3.41 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 7 V 7.66 3.69 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 0.91 0.00 0.00 1.07 0.00 0.00 8 D 8.35 4.53 0.00 2.69 2.74 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 0.00 0.00 0.00 9 D 8.51 4.70 0.00 2.73 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 10 H 8.13 4.74 0.00 3.45 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.82 4.37 0.00 1.96 1.80 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *13 C 7.86 4.35 0.00 3.01 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 14 D 8.47 4.83 0.00 2.68 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 15 V 8.95 4.29 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 1.08 0.00 0.00 1.00 0.00 0.00 16 E 10.11 3.89 0.00 2.14 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 2.22 2.23 0.00 17 G 8.84 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 18 N 8.22 5.17 0.00 2.73 2.70 0.00 0.00 6.44 8.78 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 19 H 8.12 5.21 0.00 3.23 3.40 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.57 4.28 0.00 1.83 2.13 1.08 1.04 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 21 T 8.92 4.28 4.47 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 1.24 0.00 0.00 22 A 8.15 4.94 1.41 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 23 A 9.30 5.43 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 24 A 8.49 4.59 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.62 4.90 1.99 0.00 0.00 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 1.34 0.84 0.76 0.00 0.00 26 L 8.65 4.64 0.00 1.55 1.29 0.56 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.53 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 0.00 0.00 0.00 28 Q 8.12 4.16 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 29 D 7.80 4.46 0.00 2.80 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 30 G 8.17 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 31 S 8.04 4.25 0.00 4.14 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 32 V 8.19 4.03 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 0.78 0.00 0.00 0.91 0.00 0.00 33 W 8.76 4.74 0.00 2.95 2.39 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 34 A 7.79 4.89 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.45 4.89 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 36 S 9.03 4.60 0.00 4.11 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 37 A 8.68 4.03 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 38 K 7.94 4.42 0.00 1.80 1.82 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 39 F 7.98 4.04 0.00 3.15 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 40 P 0.00 4.32 0.00 1.90 1.63 0.00 2.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.96 0.00 41 Q 8.32 4.24 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 42 L 8.21 4.64 0.00 1.62 1.60 0.62 0.89 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 43 K 8.87 4.41 0.00 1.84 1.73 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.53 7.81 44 P 0.00 4.29 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 45 Q 8.11 4.01 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 46 E 8.21 4.09 0.00 2.30 2.26 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 2.52 2.41 0.00 47 I 7.76 3.87 2.06 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 1.73 0.98 0.97 0.00 0.00 48 D 8.55 4.49 0.00 2.90 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 49 G 8.40 3.78 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 0.00 0.00 0.00 50 I 7.99 3.59 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.80 0.00 0.00 51 K 8.23 4.20 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.72 7.81 52 K 8.25 3.84 0.00 1.63 1.55 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 1.03 7.81 53 D 8.34 4.63 0.00 3.05 2.56 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 0.00 0.00 0.00 0.00 54 F 8.13 4.50 0.00 3.28 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 55 E 8.08 4.22 0.00 2.09 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 2.31 2.34 0.00 56 E 8.64 4.59 0.00 2.05 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 2.20 2.21 0.00 57 P 0.00 4.49 0.00 2.06 2.06 0.00 3.75 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 58 G 9.02 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 59 F 7.94 4.24 0.00 3.10 3.28 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 60 L 8.67 3.78 0.00 1.68 1.79 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.42 3.96 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 62 P 0.00 4.37 0.00 1.97 2.10 0.00 3.58 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 1.96 2.05 0.00 63 T 7.61 4.40 4.31 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 1.19 0.00 0.00 64 G 7.99 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 0.00 0.00 0.00 65 L 8.65 4.44 0.00 1.67 1.68 0.89 1.19 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 66 F 8.80 5.14 0.00 3.12 3.20 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 67 L 8.81 4.74 0.00 1.81 1.70 0.54 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 G 10.12 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 69 G 9.13 4.02 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 0.00 0.00 0.00 70 E 8.06 4.48 0.00 2.37 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 2.28 2.36 0.00 71 K 8.41 3.73 0.00 1.45 1.50 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.05 0.66 7.81 72 Y 8.10 4.67 0.00 2.98 2.43 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 *74 V 8.41 4.30 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 0.77 0.00 0.00 0.91 0.00 0.00 75 I 8.43 4.66 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.93 0.00 0.00 76 Q 8.81 3.85 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 77 G 8.50 4.40 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 0.00 0.00 0.00 78 E 8.74 4.51 0.00 1.96 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 2.20 2.25 0.00 79 Q 8.97 4.02 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.84 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 80 G 9.22 4.52 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 81 A 8.54 4.38 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 82 V 7.83 5.05 2.12 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 1.21 0.00 0.00 0.98 0.00 0.00 83 I 8.93 4.78 1.60 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.11 0.73 0.00 0.00 84 R 8.45 5.07 0.00 1.71 1.78 0.00 3.32 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 85 G 8.92 4.63 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 0.00 0.00 0.00 86 K 8.60 5.29 0.00 1.65 1.66 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.48 1.38 7.81 87 K 8.81 3.84 0.00 0.79 1.06 0.00 0.94 0.00 0.00 1.01 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.99 1.02 7.81 88 G 8.39 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 89 P 0.00 4.37 0.00 2.28 2.21 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 90 G 7.65 3.77 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 91 G 6.66 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 0.00 0.00 0.00 0.00 92 V 7.48 4.90 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 0.12 0.00 0.00 0.02 0.00 0.00 93 T 8.69 5.05 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 1.18 0.00 0.00 94 I 8.77 4.61 1.64 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 0.55 0.56 0.10 0.00 0.00 95 K 8.89 4.89 0.00 1.77 1.56 0.00 1.59 0.00 0.00 1.54 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.30 7.81 96 K 8.55 4.47 0.00 0.79 0.90 0.00 1.08 0.00 0.00 1.38 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.04 0.92 7.81 97 T 7.87 4.72 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 98 N 8.70 4.45 0.00 2.63 2.92 0.00 0.00 6.59 7.67 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 99 Q 8.35 4.49 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 100 A 8.03 4.83 0.70 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 0.00 0.00 101 L 8.55 4.87 0.00 1.63 1.36 1.05 0.79 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 0.00 102 V 8.68 4.65 2.03 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 1.07 0.00 0.00 0.92 0.00 0.00 103 F 9.60 5.31 0.00 3.09 3.07 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 0.00 104 G 8.85 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.75 5.59 0.00 3.17 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 0.00 106 Y 8.94 5.40 0.00 3.04 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 0.00 107 D 8.71 5.26 0.00 2.56 2.57 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 0.00 108 E 9.00 4.23 0.00 2.02 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 0.00 2.31 2.36 0.00 109 P 0.00 4.36 0.00 2.23 2.17 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 *111 T 7.99 4.17 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 1.25 0.00 0.00 112 G 8.24 3.29 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 0.00 113 G 7.85 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 0.00 114 Q 7.77 3.98 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 115 C 7.86 4.05 0.00 2.63 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 0.00 116 N 8.42 4.26 0.00 2.87 2.96 0.00 0.00 6.69 6.72 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 0.00 117 L 7.89 3.92 0.00 1.75 1.79 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.65 3.63 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 0.88 0.00 0.00 1.06 0.00 0.00 119 V 7.94 3.62 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 1.06 0.00 0.00 1.01 0.00 0.00 120 E 8.55 4.03 0.00 2.12 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 0.00 2.31 2.38 0.00 121 R 8.34 3.95 0.00 2.05 2.30 0.00 2.78 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.68 0.00 122 L 7.91 4.12 0.00 1.81 1.89 0.83 1.21 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 0.00 123 G 8.18 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 0.00 0.00 0.00 124 D 8.50 4.34 0.00 2.86 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 0.00 125 Y 8.14 4.01 0.00 3.13 3.13 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 0.00 126 L 8.21 3.74 0.00 1.85 1.72 1.07 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.91 3.63 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.86 0.00 0.00 128 E 8.00 3.96 0.00 1.91 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 2.30 2.47 0.00 129 S 7.32 4.31 0.00 3.65 3.66 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 0.00 130 E 7.92 3.81 0.00 2.11 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 0.00 2.20 2.22 0.00 131 L 8.29 4.45 0.00 1.85 1.84 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.