NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.3593 8.0393 113.9933 61.2632 33.3387 174.2124 5 I 4.1983 8.0359 117.4471 58.6094 40.3583 170.9561 6 E 5.0808 9.2852 125.5529 55.1491 31.7322 176.1566 7 Y 4.8394 8.7506 122.6328 56.6985 40.5682 174.5665 8 S 5.1814 8.7079 116.7495 56.8839 64.2920 173.1595 9 L 4.6945 9.1332 126.2341 52.6466 45.3707 175.4035 10 K 4.8451 8.5669 124.4060 54.8990 33.5668 175.3836 11 T 4.2961 8.3693 118.6318 61.1971 69.9397 173.6236 12 S 4.4938 8.7866 114.2594 59.9928 65.2504 174.5120 13 N 4.6687 8.0698 120.6193 51.6330 39.9077 174.6114 14 D 5.3149 9.0603 120.6793 55.4731 40.2133 176.2906 15 D 5.7255 8.0657 116.8277 50.6016 42.2855 174.7350 16 Q 4.6874 8.4733 118.0231 55.5206 31.9559 172.4882 17 F 5.1785 8.8597 119.1892 56.0742 40.8517 175.1918 18 I 4.5350 8.7517 125.3482 59.2713 39.3701 174.5847 19 D 4.5290 9.1322 128.2728 53.9904 41.7101 175.5603 20 I 4.4078 8.6456 119.9164 60.8788 38.2723 177.6172 21 T 3.7906 8.1363 121.0545 67.4884 68.0358 175.9292 22 N 4.2816 8.0163 117.7118 56.3580 38.7187 177.2607 23 L 3.5116 7.5313 119.8293 57.5528 41.7657 179.5884 24 V 3.7251 7.6124 118.1568 65.8341 31.4565 178.3360 25 K 4.0379 8.1779 118.4399 58.9924 31.8502 179.2325 26 K 3.9182 8.2746 120.0342 59.5462 31.9951 178.7691 27 A 4.1643 8.0929 120.6600 55.0855 18.0482 179.8467 28 V 3.5745 7.4953 115.9588 66.1114 31.9304 177.8274 29 D 4.4852 8.2553 118.6174 57.6135 40.5510 178.5333 30 E 4.0390 8.0233 117.7307 59.3803 29.4604 179.2191 31 S 4.3839 7.7728 113.4601 58.7578 63.4530 175.5302 32 G 3.8563 7.8795 108.7768 45.5376 0.0000 173.3752 33 V 3.7762 7.6398 120.9440 62.4677 32.3022 176.8534 34 S 4.3771 8.7544 121.6864 60.1524 63.1991 173.4949 35 D 5.4213 8.3951 118.8059 51.3836 46.0732 174.5801 36 G 4.7953 8.8627 114.5814 45.4388 0.0000 174.5013 *38 A 4.4350 8.4458 129.2465 51.7060 20.5636 176.7084 39 V 4.4835 8.9753 123.5147 61.5665 33.9232 174.6346 40 V 4.9111 8.7623 128.3706 61.2806 33.5679 173.8940 41 F 5.1060 9.6933 130.8057 56.4355 42.4504 173.2842 42 C 4.7920 7.9805 126.8295 56.6212 32.9386 171.8027 43 P 4.8448 0.0000 0.0000 63.2364 30.9415 175.4066 44 H 4.9547 7.4863 115.4492 54.8306 31.0273 174.4613 45 T 4.3783 8.3626 111.1536 62.3056 69.4104 175.3677 46 T 4.7597 7.5766 112.3319 61.0287 70.1413 172.8970 47 A 4.4612 7.8288 121.8091 52.5087 22.7558 175.8590 48 G 3.8369 7.4575 103.9085 45.9241 0.0000 172.0820 49 I 5.0128 8.0300 119.9704 59.8125 40.5374 175.2231 50 T 4.7278 8.6466 119.2056 60.8058 71.6704 172.0873 51 I 5.0605 8.1659 124.8239 59.8787 39.9891 174.6360 52 N 4.9015 9.0631 124.8099 52.8383 42.7372 172.0693 53 E 4.5950 9.3885 120.6114 57.7116 29.4233 177.4477 54 N 5.0158 9.8973 125.0273 53.9545 40.1291 175.7567 55 A 4.2070 8.4306 122.5040 52.1404 17.4074 180.0927 56 D 4.3367 9.0337 122.4209 54.7637 41.9654 174.0544 57 P 4.5558 0.0000 0.0000 64.4032 31.3325 177.9149 58 D 4.3546 8.4366 119.9585 57.1539 40.6529 178.6800 59 V 3.5122 7.6076 119.0977 66.1452 31.5889 178.2375 60 T 3.2434 7.5998 109.0888 64.2871 68.5045 176.4373 61 R 3.6994 7.6896 121.4690 59.3384 30.1447 178.2163 62 D 4.2967 8.1250 118.7899 57.2765 40.6681 178.9152 63 I 3.6498 7.5411 120.1926 64.2729 37.0440 178.3772 64 L 4.0514 7.5549 119.6175 57.9047 41.5374 179.6640 65 V 3.5768 7.9640 118.3358 66.3794 31.5805 177.8560 66 N 4.4389 8.3256 115.8611 55.9683 38.3774 177.5547 67 L 4.1189 8.3170 121.1173 57.7277 41.2022 178.9117 68 D 4.4284 8.5052 118.4336 57.0759 40.9158 178.2068 69 K 3.9246 7.8418 119.5001 59.5431 32.3020 178.7031 70 V 3.6352 7.4533 116.9668 64.0928 32.6419 175.9758 71 F 4.9128 7.7626 116.6564 54.2115 39.0871 172.6133 72 P 4.7155 0.0000 0.0000 61.5305 32.1752 177.5819 73 K 3.6232 8.6360 120.2650 58.4343 32.3602 177.3911 74 V 4.6353 7.7659 111.1527 58.7310 34.1395 176.2289 75 G 3.7685 8.0069 110.2327 46.5777 0.0000 173.2932 76 D 4.4152 7.9160 115.2613 53.5993 38.1639 175.6646 77 Y 4.8504 7.3047 117.8536 55.8453 40.2012 177.2787 78 K 4.1174 8.8123 125.0494 58.8493 32.9223 177.7605 79 H 4.6198 7.6177 121.1797 54.5472 27.7756 175.8830 80 V 3.8230 7.7350 112.0914 62.2792 31.7204 178.0904 81 E 3.9068 7.7613 120.7708 57.9784 29.3072 178.1551 82 G 4.0416 8.0863 107.1640 45.1379 0.0000 173.2068 83 N 5.0910 7.8086 115.8623 51.9631 38.2600 176.5190 84 S 4.1238 8.1013 116.2650 62.3154 62.3994 175.1604 85 H 4.0195 7.7598 117.3289 58.4548 28.2083 177.3723 86 A 3.7432 7.2391 123.0909 55.0771 18.1896 179.3299 87 H 4.4655 7.6793 115.6906 58.3674 28.7830 177.9929 88 I 3.4643 7.4638 121.5768 64.3530 36.7312 178.7256 89 K 3.5386 7.2186 117.4336 58.8374 31.6084 179.0748 90 A 4.2290 7.5049 120.4657 55.4663 18.4526 179.6373 91 S 4.2020 7.5059 111.6433 61.4164 62.8144 176.8512 92 L 4.1384 7.2450 117.6592 54.7057 41.4957 177.0142 *94 G 3.7012 7.4311 107.9772 45.3962 0.0000 174.1916 95 S 4.1923 8.2251 114.8316 59.6050 64.3403 173.3876 96 S 4.9214 7.4997 113.0549 58.0820 65.5053 173.9496 97 Q 4.8185 8.8007 118.4493 54.5401 33.3391 173.9272 98 Q 5.1954 8.6803 118.9773 54.5632 31.7393 174.6063 99 I 4.7081 8.5452 121.2845 59.4401 40.8678 175.5079 100 I 3.9772 8.4253 126.8495 61.4307 38.7216 174.7656 101 I 4.8454 8.7245 127.3880 59.6621 39.4218 174.2900 102 E 4.7083 9.0862 128.3772 54.5737 32.6547 175.4184 103 N 4.3143 9.7351 125.1305 54.5722 36.0849 175.1905 104 G 3.9739 8.7171 103.6787 45.6462 0.0000 174.0302 105 K 4.6438 7.6924 118.5352 53.8237 35.4472 175.5791 106 L 4.4830 8.3356 121.9432 54.8210 41.9562 178.2712 107 K 4.2502 8.8582 127.9203 54.6428 30.4360 174.9592 108 L 4.9044 7.4761 122.1396 52.4069 44.3190 177.2457 109 G 3.8433 9.3724 108.2251 45.7218 0.0000 174.6914 110 T 3.6529 8.5804 116.8139 66.3087 68.6787 176.9240 111 W 4.7972 7.9782 120.1034 56.3742 30.0531 175.2086 112 Q 4.9515 8.0347 122.3239 54.8520 29.5305 174.8504 113 G 4.1098 9.3610 114.2957 44.4362 0.0000 171.1346 114 I 4.7128 8.4408 122.0136 59.8987 38.6319 174.6496 115 Y 5.2565 9.1135 124.8797 56.1208 41.4209 174.4525 116 F 4.7744 9.2335 126.1207 57.0396 41.4055 174.6467 117 T 3.9947 7.9964 118.2209 59.9743 69.8805 173.1602 118 E 4.4031 8.7635 129.6300 55.0094 30.8302 176.1324 119 F 5.1594 8.2348 124.1309 56.5141 40.5289 175.8214 120 D 4.6634 8.6150 119.5192 52.7204 40.7571 174.7323 121 G 4.1653 8.8667 107.7885 44.3366 0.0000 171.5025 122 P 5.0456 0.0000 0.0000 62.6579 32.3235 175.9207 123 R 4.6622 9.0192 121.1443 55.1893 35.6276 173.7115 124 D 4.8645 8.6037 120.4783 53.6105 41.5700 176.5070 125 R 4.6685 9.3362 123.9711 54.3372 33.5097 175.2347 126 K 5.3919 8.6529 118.2903 54.9849 36.5001 176.5932 127 V 4.5637 8.5262 120.4552 60.5594 35.0789 173.6770 128 F 5.6778 9.3238 124.0901 56.1408 41.4207 174.9881 129 V 4.9811 8.6649 122.1474 61.1012 34.5567 173.8758 130 K 4.7792 9.3494 129.9124 54.6774 34.7605 174.4972 131 I 4.5927 8.4262 128.2551 60.0648 38.7394 175.3570 132 I 4.2370 8.2395 128.8636 59.4506 37.9299 175.1785 133 L 4.1907 8.5140 129.3691 55.5693 42.7293 176.5073 134 E 4.1154 8.5714 123.1228 56.8090 31.2036 174.2935 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 4 V 8.04 4.36 1.98 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 0.82 0.00 0.00 0.73 0.00 0.00 5 I 8.04 4.20 1.46 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.02 0.80 0.00 0.00 6 E 9.29 5.08 0.00 1.83 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 2.04 2.11 0.00 7 Y 8.75 4.84 0.00 3.06 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 8 S 8.71 5.18 0.00 3.91 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 9 L 9.13 4.69 0.00 1.09 1.08 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.57 4.85 0.00 1.66 1.65 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.42 7.81 11 T 8.37 4.30 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 12 S 8.79 4.49 0.00 3.97 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 13 N 8.07 4.67 0.00 2.67 2.93 0.00 0.00 7.38 8.47 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 14 D 9.06 5.31 0.00 2.81 2.96 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 15 D 8.07 5.73 0.00 2.89 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 16 Q 8.47 4.69 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 17 F 8.86 5.18 0.00 2.51 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 4.54 1.97 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 1.16 0.93 0.91 0.00 0.00 19 D 9.13 4.53 0.00 2.73 2.59 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 20 I 8.65 4.41 1.82 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 1.42 0.54 0.98 0.00 0.00 21 T 8.14 3.79 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 1.13 0.00 0.00 22 N 8.02 4.28 0.00 2.63 2.78 0.00 0.00 7.15 6.74 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 23 L 7.53 3.51 0.00 1.70 1.31 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.61 3.73 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 1.06 0.00 0.00 0.95 0.00 0.00 25 K 8.18 4.04 0.00 1.96 1.81 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.59 7.81 26 K 8.27 3.92 0.00 1.85 1.94 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.50 7.81 27 A 8.09 4.16 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 28 V 7.50 3.57 2.23 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 0.91 0.00 0.00 0.98 0.00 0.00 29 D 8.26 4.49 0.00 2.75 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 30 E 8.02 4.04 0.00 2.14 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 0.00 2.56 2.54 0.00 31 S 7.77 4.38 0.00 3.98 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 32 G 7.88 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 33 V 7.64 3.78 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 0.92 0.00 0.00 0.93 0.00 0.00 34 S 8.75 4.38 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 5.42 0.00 2.76 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 36 G 8.86 4.80 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 *38 A 8.45 4.43 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 39 V 8.98 4.48 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 1.09 0.00 0.00 0.98 0.00 0.00 40 V 8.76 4.91 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 0.95 0.00 0.00 0.99 0.00 0.00 41 F 9.69 5.11 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 42 C 7.98 4.79 0.00 2.69 2.49 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 43 P 0.00 4.84 0.00 2.15 1.84 0.00 3.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 0.00 44 H 7.49 4.95 0.00 3.06 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.36 4.38 4.32 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 1.23 0.00 0.00 46 T 7.58 4.76 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 0.94 0.00 0.00 47 A 7.83 4.46 0.87 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 48 G 7.46 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 49 I 8.03 5.01 1.75 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 0.86 1.02 0.91 0.00 0.00 50 T 8.65 4.73 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 1.13 0.00 0.00 51 I 8.17 5.06 1.92 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 1.25 0.82 0.97 0.00 0.00 52 N 9.06 4.90 0.00 2.99 2.93 0.00 0.00 6.40 7.71 0.00 0.00 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 E 9.39 4.59 0.00 2.05 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 2.36 2.52 0.00 54 N 9.90 5.02 0.00 3.03 3.19 0.00 0.00 7.12 7.86 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 55 A 8.43 4.21 0.46 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 56 D 9.03 4.34 0.00 2.61 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 57 P 0.00 4.56 0.00 2.29 2.29 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 58 D 8.44 4.35 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.51 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 1.03 0.00 0.00 0.91 0.00 0.00 60 T 7.60 3.24 3.41 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 0.83 0.00 0.00 61 R 7.69 3.70 0.00 1.95 2.02 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 62 D 8.12 4.30 0.00 2.79 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 63 I 7.54 3.65 1.53 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 1.04 0.00 0.00 64 L 7.55 4.05 0.00 1.71 1.89 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.96 3.58 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 1.02 0.00 0.00 0.92 0.00 0.00 66 N 8.33 4.44 0.00 2.91 2.83 0.00 0.00 7.09 6.32 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 67 L 8.32 4.12 0.00 1.98 1.77 1.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.51 4.43 0.00 2.91 2.91 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 69 K 7.84 3.92 0.00 1.89 1.96 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 70 V 7.45 3.64 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 71 F 7.76 4.91 0.00 3.18 2.96 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 72 P 0.00 4.72 0.00 2.24 2.10 0.00 3.48 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.94 0.00 73 K 8.64 3.62 0.00 1.62 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.17 7.81 74 V 7.77 4.64 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 0.81 0.00 0.00 0.96 0.00 0.00 75 G 8.01 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 76 D 7.92 4.42 0.00 2.46 2.37 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 77 Y 7.30 4.85 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 78 K 8.81 4.12 0.00 1.80 1.92 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 79 H 7.62 4.62 0.00 3.29 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.73 3.82 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 0.87 0.00 0.00 0.93 0.00 0.00 81 E 7.76 3.91 0.00 1.84 1.98 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 2.25 1.96 0.00 82 G 8.09 4.04 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 0.00 0.00 0.00 83 N 7.81 5.09 0.00 2.77 2.98 0.00 0.00 5.84 7.24 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 84 S 8.10 4.12 0.00 3.83 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 85 H 7.76 4.02 0.00 3.53 3.43 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.24 3.74 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 87 H 7.68 4.47 0.00 3.33 3.26 0.00 6.10 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.46 3.46 1.61 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 1.35 0.66 -0.08 0.00 0.00 89 K 7.22 3.54 0.00 0.79 0.74 0.00 1.04 0.00 0.00 1.15 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 1.22 7.81 90 A 7.50 4.23 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 91 S 7.51 4.20 0.00 3.89 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 92 L 7.24 4.14 0.00 1.68 1.66 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *94 G 7.43 3.70 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 0.00 95 S 8.23 4.19 0.00 3.31 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 96 S 7.50 4.92 0.00 4.13 3.79 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 97 Q 8.80 4.82 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 98 Q 8.68 5.20 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 99 I 8.55 4.71 1.88 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 1.23 0.56 0.91 0.00 0.00 100 I 8.43 3.98 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.91 0.00 0.00 101 I 8.72 4.85 1.97 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 1.12 0.66 0.97 0.00 0.00 102 E 9.09 4.71 0.00 1.93 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 0.00 103 N 9.74 4.31 0.00 2.87 2.86 0.00 0.00 7.15 7.65 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 0.00 104 G 8.72 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 0.00 105 K 7.69 4.64 0.00 1.89 1.64 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.50 7.81 106 L 8.34 4.48 0.00 1.61 1.60 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.86 4.25 0.00 1.65 1.80 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.36 7.81 108 L 7.48 4.90 0.00 1.92 1.59 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.37 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 0.00 110 T 8.58 3.65 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 0.77 0.00 0.00 111 W 7.98 4.80 0.00 3.32 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 0.00 112 Q 8.03 4.95 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 113 G 9.36 4.11 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 0.00 0.00 0.00 114 I 8.44 4.71 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.89 0.00 0.00 115 Y 9.11 5.26 0.00 2.72 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 0.00 116 F 9.23 4.77 0.00 3.03 2.85 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 0.00 117 T 8.00 3.99 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 0.08 0.00 0.00 118 E 8.76 4.40 0.00 2.27 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 2.29 2.51 0.00 119 F 8.23 5.16 0.00 3.00 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 0.00 120 D 8.61 4.66 0.00 2.59 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 0.00 121 G 8.87 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 0.00 0.00 0.00 0.00 122 P 0.00 5.05 0.00 2.09 2.28 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 123 R 9.02 4.66 0.00 1.71 1.81 0.00 3.25 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 124 D 8.60 4.86 0.00 2.56 2.62 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 0.00 125 R 9.34 4.67 0.00 1.12 1.58 0.00 2.79 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 126 K 8.65 5.39 0.00 1.64 1.80 0.00 1.89 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 127 V 8.53 4.56 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 0.94 0.00 0.00 1.16 0.00 0.00 128 F 9.32 5.68 0.00 3.10 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 0.00 129 V 8.66 4.98 2.23 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 1.07 0.00 0.00 1.24 0.00 0.00 130 K 9.35 4.78 0.00 1.83 1.65 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.36 7.81 131 I 8.43 4.59 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.92 0.00 0.00 132 I 8.24 4.24 1.88 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 1.25 0.91 0.92 0.00 0.00 133 L 8.51 4.19 0.00 1.63 1.57 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.57 4.12 0.00 2.17 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 2.22 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.