NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3174 8.1849 120.6197 54.5848 43.1035 175.8382 3 Q 4.2557 8.1272 120.3002 53.4846 31.9740 173.5226 4 I 3.1595 8.5600 124.5563 59.2036 39.0385 173.9113 5 P 4.0572 0.0000 0.0000 62.5549 31.6244 177.1941 6 Q 3.9578 8.6349 122.9731 58.5838 28.9825 176.7466 7 N 4.7808 8.0829 112.6795 53.0330 38.0335 174.7496 8 Y 4.4186 8.1739 117.1587 58.3193 38.7525 174.8179 9 I 4.6761 8.6288 122.5575 59.5576 40.2964 174.7276 10 H 3.8718 9.0293 127.4033 56.5203 29.5462 174.4230 11 T 4.4467 8.2193 116.0977 62.6114 70.8840 174.6216 12 R 4.6743 7.3036 119.9115 54.7293 34.0697 173.8166 13 S 5.0477 8.3632 118.2891 56.8434 65.0128 173.4733 14 T 4.2344 8.5106 118.3559 60.1717 69.8588 172.7939 15 P 4.2084 0.0000 0.0000 61.9972 32.8384 175.6124 16 F 4.5963 8.2374 118.8997 57.6194 39.3516 175.2335 17 W 5.3155 9.3681 123.2665 55.0317 33.3929 174.3817 18 N 5.9129 8.9696 119.5290 50.0555 39.9242 174.5709 19 K 4.0871 9.2068 118.4427 59.5503 32.4528 177.9540 20 Q 4.3432 8.3818 116.4507 57.7696 29.5287 176.8687 21 T 4.0647 8.9775 106.7084 63.1562 69.4289 175.1214 22 A 2.8302 7.5908 125.1405 50.2901 19.1787 175.3863 23 P 4.0234 0.0000 0.0000 62.4785 32.0031 177.0964 24 A 4.3134 9.0123 125.0157 55.6354 17.6557 179.7069 25 G 3.6316 8.0560 103.0513 47.4974 0.0000 175.3148 26 I 3.5415 7.7319 120.6251 63.2731 37.7382 177.1906 27 F 4.7777 7.5866 115.7901 58.0321 39.2936 175.0584 28 E 4.8500 7.4498 119.2291 53.8451 31.9753 176.0117 29 R 4.3392 8.5701 122.8261 57.7489 30.7539 175.1026 30 H 4.9934 9.3231 121.1159 54.6634 32.8495 171.5601 31 L 4.3837 7.6709 119.3825 52.8403 44.1121 175.8302 32 D 4.5056 8.8988 125.9715 54.5236 41.4409 176.7718 33 K 4.0533 8.5908 122.4784 57.9283 32.3899 177.2914 34 G 3.8410 8.8773 110.7783 46.0285 0.0000 173.3095 35 T 3.8848 7.6388 114.6477 61.9243 67.7298 173.5061 36 R 4.5238 8.0700 122.7883 54.7492 31.6795 171.7778 37 P 4.0921 0.0000 0.0000 64.5302 31.6565 177.1654 38 G 4.0749 9.2705 109.3940 45.1587 0.0000 172.4562 39 V 4.8748 7.2824 119.0905 61.3007 33.8241 174.3323 40 Y 4.9085 9.6663 126.9521 55.6220 40.8897 173.6091 41 P 4.8798 0.0000 0.0000 61.7940 34.0875 174.8258 42 R 4.4818 8.7437 121.7299 54.5413 33.0760 173.5634 43 L 5.0671 8.0472 129.7031 53.4315 43.8534 175.0626 44 S 5.3201 8.7802 120.8068 56.7317 66.2005 174.0851 45 V 4.2185 8.6521 123.3508 61.8225 34.1833 173.5383 *47 H 4.4155 8.4721 120.6038 56.0518 30.9665 172.7123 48 G 4.0976 9.9533 111.0490 45.0929 0.0000 173.8572 49 A 4.7580 8.4370 122.8568 50.9229 22.4446 175.5364 50 V 4.6423 8.8954 120.3169 60.8707 35.5569 174.1419 51 K 5.0064 8.8922 127.3999 54.8478 35.0006 174.0146 52 Y 4.9584 8.8677 128.5122 56.1673 41.3458 174.1927 53 L 4.8127 7.6141 124.4517 52.9010 45.5804 175.7234 54 G 4.2777 8.6850 111.5681 44.5893 0.0000 171.7391 55 Y 5.1173 8.7264 118.8144 55.5817 40.9975 175.8350 56 A 4.2120 9.0198 125.7611 55.2178 18.7792 176.7953 57 D 4.7233 7.6669 111.5814 52.5193 42.0635 174.2382 58 E 2.5400 8.1601 118.5622 58.6978 29.3810 177.6672 59 H 4.6465 7.6083 112.7561 55.1143 29.2596 174.5989 60 S 4.1640 8.0049 115.8245 58.7659 63.1922 174.4803 61 A 4.1619 8.7811 127.6604 54.4480 18.4834 177.5649 62 E 4.8949 7.8523 112.8625 53.6367 32.8484 174.0611 63 P 3.9695 0.0000 0.0000 62.6669 32.1509 175.5384 64 D 4.9375 8.1265 118.7649 52.8932 40.4057 175.5251 65 Q 4.5636 7.4082 119.2455 55.6501 32.5874 172.9980 66 V 4.9460 8.4424 125.6721 61.3355 34.8524 174.2773 67 I 4.5580 8.6588 127.4634 59.5118 40.5985 174.0398 68 L 4.8246 8.6694 129.9149 53.9259 43.2292 175.5744 69 I 4.3770 9.1222 128.4195 59.7771 38.9917 175.4800 70 E 4.6743 9.2551 127.3049 54.7852 31.3786 176.3988 71 A 4.2106 7.8917 124.7550 54.1458 18.7235 178.3725 72 G 3.9525 9.5298 110.5989 45.3393 0.0000 172.6498 73 Q 4.8404 7.8666 117.5509 53.9697 33.3748 173.9001 74 F 5.4887 7.9138 113.6021 55.8250 41.4249 173.5562 75 A 4.6044 8.9390 120.4833 50.4204 22.6821 175.2049 76 V 4.3018 8.3434 121.6102 61.6549 32.8486 175.1213 77 F 5.1215 7.9455 126.0836 55.0039 40.8485 174.2283 78 P 4.4771 0.0000 0.0000 62.0916 31.9563 174.6620 79 P 4.4070 0.0000 0.0000 62.8251 32.0712 175.2788 80 E 3.7637 8.9896 116.8772 57.5032 27.6153 175.1117 81 K 4.7495 7.7764 117.0868 54.1284 35.4965 175.7467 82 W 4.5166 9.0837 127.4741 57.4211 30.4353 174.8649 83 H 5.6052 9.1166 118.7101 56.4877 32.0759 171.6705 84 N 5.3343 8.0777 113.8838 52.0836 39.9599 173.2592 85 I 5.0827 8.3231 112.8102 59.2261 41.7169 173.9497 86 E 5.0766 8.8711 122.7354 54.9565 32.8247 175.4636 87 A 4.6528 8.8273 130.8005 51.5523 20.6860 175.8228 *89 T 4.2405 8.0433 105.2038 61.6288 69.8887 174.7232 90 D 4.3955 8.6892 121.8524 57.5159 40.9319 177.3487 91 D 4.8225 8.0965 115.6116 53.8918 39.2236 175.8217 92 T 4.9017 7.8599 118.0068 63.8597 69.7712 173.4148 93 Y 5.5013 8.4916 123.1518 56.1186 41.6743 174.1381 94 F 5.1895 8.7877 115.1312 57.1072 41.9852 171.9474 95 N 4.8701 8.8918 114.6024 52.3434 40.8764 173.3979 96 I 4.9610 8.2620 119.4909 59.5466 41.4017 174.4233 97 D 5.1376 8.7602 124.9252 52.5369 44.3541 174.7048 98 F 5.2577 9.0748 122.3760 55.9294 41.5339 174.8217 99 F 5.2840 9.6374 121.7156 55.7206 42.4347 174.4463 100 V 5.2033 8.9845 121.8996 60.7164 35.2274 174.6809 101 A 3.0059 8.3881 128.5083 50.9958 18.5510 177.1094 102 P 4.1327 0.0000 0.0000 65.5932 31.6186 178.9666 103 E 3.7448 8.0498 116.2283 58.2737 29.1728 178.5930 104 V 4.0529 6.7952 117.1562 64.4540 32.1140 177.2087 105 L 4.3439 7.3531 115.6559 54.2235 41.3127 176.3202 *107 E 4.2106 7.3517 119.0201 55.7437 29.7862 175.6130 108 G 3.7220 8.4771 115.4663 44.9781 0.0000 172.5166 109 A 4.2089 8.3214 125.4298 51.8480 19.1573 176.5838 110 Q 4.7855 8.2217 118.0570 54.4426 32.6688 175.9890 111 Q 4.1092 8.2762 116.7045 56.5961 29.8414 174.9510 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 L 8.18 4.32 0.00 1.77 1.65 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.13 4.26 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 4 I 8.56 3.16 1.30 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.05 0.43 0.00 0.00 5 P 0.00 4.06 0.00 1.85 1.88 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 1.68 1.75 0.00 6 Q 8.63 3.96 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 7 N 8.08 4.78 0.00 2.93 2.97 0.00 0.00 6.08 7.55 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 8 Y 8.17 4.42 0.00 3.06 3.14 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 9 I 8.63 4.68 1.88 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 1.15 0.85 0.92 0.00 0.00 10 H 9.03 3.87 0.00 2.92 3.07 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.22 4.45 4.16 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 1.20 0.00 0.00 12 R 7.30 4.67 0.00 1.75 1.73 0.00 2.93 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 13 S 8.36 5.05 0.00 3.90 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 14 T 8.51 4.23 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 1.17 0.00 0.00 15 P 0.00 4.21 0.00 2.03 2.02 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 16 F 8.24 4.60 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 17 W 9.37 5.32 0.00 2.63 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 18 N 8.97 5.91 0.00 2.98 3.13 0.00 0.00 6.51 6.69 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 19 K 9.21 4.09 0.00 1.82 1.91 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.20 1.18 7.81 20 Q 8.38 4.34 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 21 T 8.98 4.06 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 1.27 0.00 0.00 22 A 7.59 2.83 1.40 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 23 P 0.00 4.02 0.00 2.02 1.92 0.00 2.20 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.00 24 A 9.01 4.31 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 25 G 8.06 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 0.00 0.00 0.00 26 I 7.73 3.54 1.70 0.00 0.00 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 1.43 1.36 0.17 0.00 0.00 27 F 7.59 4.78 0.00 3.29 3.12 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 0.00 0.00 0.00 28 E 7.45 4.85 0.00 1.88 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 2.29 2.30 0.00 29 R 8.57 4.34 0.00 1.65 1.82 0.00 2.90 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 30 H 9.32 4.99 0.00 3.10 3.38 0.00 5.26 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.67 4.38 0.00 0.27 0.92 0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.90 4.51 0.00 2.84 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 33 K 8.59 4.05 0.00 1.69 1.72 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.37 7.81 34 G 8.88 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 35 T 7.64 3.88 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 1.19 0.00 0.00 36 R 8.07 4.52 0.00 1.99 1.95 0.00 3.08 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 37 P 0.00 4.09 0.00 2.08 2.07 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 38 G 9.27 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 39 V 7.28 4.87 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 0.93 0.00 0.00 0.95 0.00 0.00 40 Y 9.67 4.91 0.00 2.98 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 41 P 0.00 4.88 0.00 1.85 2.09 0.00 3.93 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 42 R 8.74 4.48 0.00 1.63 1.84 0.00 2.21 0.00 0.00 2.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.00 43 L 8.05 5.07 0.00 1.54 1.34 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.78 5.32 0.00 4.06 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 45 V 8.65 4.22 2.31 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 0.91 0.00 0.00 1.06 0.00 0.00 *47 H 8.47 4.42 0.00 2.94 2.71 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.95 4.10 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 0.00 0.00 0.00 49 A 8.44 4.76 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 50 V 8.90 4.64 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 0.77 0.00 0.00 0.67 0.00 0.00 51 K 8.89 5.01 0.00 1.88 1.64 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.37 7.81 52 Y 8.87 4.96 0.00 2.78 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 53 L 7.61 4.81 0.00 1.46 1.13 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.69 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 55 Y 8.73 5.12 0.00 2.92 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 56 A 9.02 4.21 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 57 D 7.67 4.72 0.00 2.66 2.67 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 58 E 8.16 2.54 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 1.47 1.47 0.00 59 H 7.61 4.65 0.00 3.06 3.14 0.00 5.73 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.00 4.16 0.00 4.03 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 61 A 8.78 4.16 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 62 E 7.85 4.89 0.00 1.94 1.83 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 2.22 2.20 0.00 63 P 0.00 3.97 0.00 1.70 1.00 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 64 D 8.13 4.94 0.00 2.67 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 65 Q 7.41 4.56 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 66 V 8.44 4.95 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 0.88 0.00 0.00 0.87 0.00 0.00 67 I 8.66 4.56 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.94 0.00 0.00 68 L 8.67 4.82 0.00 1.64 1.58 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 I 9.12 4.38 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.93 0.00 0.00 70 E 9.26 4.67 0.00 2.00 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 2.29 2.39 0.00 71 A 7.89 4.21 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 72 G 9.53 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 73 Q 7.87 4.84 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 74 F 7.91 5.49 0.00 2.95 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 75 A 8.94 4.60 1.21 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 76 V 8.34 4.30 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 0.89 0.00 0.00 0.83 0.00 0.00 77 F 7.95 5.12 0.00 2.95 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 78 P 0.00 4.48 0.00 2.24 2.12 0.00 3.72 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 2.11 2.24 0.00 79 P 0.00 4.41 0.00 1.91 2.04 0.00 3.72 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 80 E 8.99 3.76 0.00 2.02 1.99 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 2.23 2.18 0.00 81 K 7.78 4.75 0.00 1.79 1.74 0.00 1.90 0.00 0.00 1.92 0.00 0.00 3.28 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 82 W 9.08 4.52 0.00 3.39 3.11 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 83 H 9.12 5.61 0.00 2.61 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.08 5.33 0.00 2.93 2.98 0.00 0.00 5.46 7.63 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 85 I 8.32 5.08 1.84 0.00 0.00 0.76 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 0.80 0.99 0.00 0.00 86 E 8.87 5.08 0.00 2.13 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 2.27 2.34 0.00 87 A 8.83 4.65 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 4.24 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 1.25 0.00 0.00 90 D 8.69 4.40 0.00 2.73 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 91 D 8.10 4.82 0.00 2.85 2.82 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 92 T 7.86 4.90 4.60 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 1.60 0.00 0.00 93 Y 8.49 5.50 0.00 2.97 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 94 F 8.79 5.19 0.00 3.43 3.33 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 95 N 8.89 4.87 0.00 2.47 2.66 0.00 0.00 7.19 7.40 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 96 I 8.26 4.96 1.67 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.22 0.00 0.00 97 D 8.76 5.14 0.00 2.63 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 98 F 9.07 5.26 0.00 2.86 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 99 F 9.64 5.28 0.00 3.10 3.14 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 0.00 100 V 8.98 5.20 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 1.04 0.00 0.00 0.99 0.00 0.00 101 A 8.39 3.01 0.81 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 0.00 102 P 0.00 4.13 0.00 2.11 2.07 0.00 3.42 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 103 E 8.05 3.74 0.00 2.02 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 2.39 2.40 0.00 104 V 6.80 4.05 2.14 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 0.82 0.00 0.00 0.97 0.00 0.00 105 L 7.35 4.34 0.00 1.77 1.63 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *107 E 7.35 4.21 0.00 1.93 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 2.18 2.27 0.00 108 G 8.48 3.72 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 0.00 0.00 0.00 109 A 8.32 4.21 1.24 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 0.00 0.00 0.00 110 Q 8.22 4.79 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 111 Q 8.28 4.11 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.