NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.4150 8.3349 115.4139 57.7174 64.6809 173.1987 21 D 4.2595 8.3647 122.2152 53.5469 41.1773 176.0610 22 A 4.0619 9.6277 127.8835 55.3672 19.1194 178.5090 23 H 3.9596 8.3919 114.6153 59.1386 28.6662 177.4670 24 V 3.5692 7.6843 119.3002 66.1186 31.3085 177.7955 25 L 3.9174 7.8675 119.3081 58.0577 41.7744 178.6166 26 K 3.9285 8.4558 118.7655 59.6699 32.1790 178.5932 27 S 4.2838 8.2216 114.9279 61.5672 62.7805 176.6500 28 R 4.0463 7.9233 120.0523 58.3288 30.3168 177.7674 29 L 3.9540 7.6659 120.3314 55.1744 42.2375 177.1560 *33 E 4.1566 8.4427 117.4886 54.9290 31.0640 173.6913 34 P 4.6097 0.0000 0.0000 60.9161 32.5118 175.6748 35 A 4.1267 8.2358 121.1313 52.7725 18.7078 176.5058 36 F 5.3702 7.6278 113.4175 56.1933 41.0813 173.6615 37 T 4.8637 9.3705 116.2345 62.0555 72.7895 172.8192 38 I 5.0000 8.5491 125.6793 59.7976 39.8821 174.3001 39 L 4.6786 9.2622 127.3241 52.8500 44.3523 174.9074 40 D 3.9004 8.4394 123.8816 52.6248 42.0152 175.9675 41 V 4.0187 7.8761 119.1355 61.5172 32.5418 176.6343 42 R 4.6234 7.9613 121.2736 55.3051 31.7657 175.8534 43 D 4.4577 8.6036 119.3754 54.5142 41.5475 177.9999 44 R 3.8915 8.6745 122.0200 59.7211 29.8013 179.1621 45 S 4.1736 8.0050 112.7364 61.6463 63.4072 176.2459 46 T 4.0468 7.7938 118.9023 66.6000 68.3399 175.6914 47 Y 4.1687 8.3012 121.5873 61.0577 38.5500 178.1404 48 N 4.4553 8.3740 116.2706 56.1383 38.6965 176.6101 49 D 4.6308 7.9756 118.8872 53.7083 41.3554 176.0233 50 G 4.3588 6.0410 116.0852 45.1278 0.0000 171.4944 51 H 5.0796 8.0510 119.1429 53.8349 33.3246 177.5456 52 I 3.8211 8.3809 122.9067 61.6183 35.8984 180.4664 *54 G 3.9068 9.0378 120.6246 45.9818 0.0000 174.4843 55 A 4.7907 8.1224 121.7932 51.1674 18.6269 176.3879 *57 A 3.4736 8.2246 116.7318 51.5837 19.8043 174.7015 *59 P 4.4012 0.0000 0.0000 62.0391 32.4783 177.8938 60 I 3.6502 8.3497 122.9229 63.9914 38.0462 177.7845 61 E 3.9846 8.2041 117.1514 58.6462 29.6242 177.1587 62 D 4.8458 8.1643 116.7901 53.1873 42.5320 176.9030 63 L 3.8164 7.6257 122.7051 58.5130 41.8133 179.2092 64 V 3.6013 7.7383 117.0902 66.3618 31.5782 177.5914 65 D 4.3751 8.0358 117.9019 57.3673 40.7387 178.9581 66 R 3.9057 8.2162 118.4089 59.1009 30.0556 178.9046 67 A 3.9711 8.3875 120.9731 55.3909 18.1537 179.8871 68 S 4.2726 8.2723 112.8553 61.7378 62.9768 176.7142 69 S 4.3583 8.0015 115.6682 60.2621 63.1330 175.6595 70 S 4.6279 7.9906 115.8699 57.5098 64.0396 173.7903 71 L 4.9187 7.6093 121.4293 52.5902 45.1019 175.4454 72 E 4.5297 8.3324 117.7926 54.8257 31.2935 177.5541 73 K 3.5769 8.2706 119.8411 58.5365 32.2381 178.7884 74 S 4.4056 7.8333 112.0046 58.9608 63.8306 174.5931 75 R 3.9534 7.7097 121.8963 56.5559 30.2608 175.5220 76 D 4.6960 8.8922 125.2086 54.7365 42.1331 175.1550 77 I 5.0048 8.9814 124.5453 59.6344 40.9808 173.9677 78 Y 5.0743 9.1209 124.7298 56.3010 40.1975 174.9269 79 V 5.0436 8.8310 124.6326 61.2905 35.1848 173.8465 80 Y 5.1160 8.3492 123.2842 55.8941 41.6055 174.4582 81 G 4.5931 8.5115 111.0602 43.8217 0.0000 171.9849 82 A 4.1743 9.3890 121.7874 54.6169 18.7276 177.5929 83 G 4.2256 7.5785 102.5572 43.4653 0.0000 172.6312 84 D 4.3307 8.8718 117.8243 57.3979 40.6181 178.5265 85 E 3.9016 8.1328 119.1003 59.5261 29.7465 178.5266 86 Q 3.9433 8.0307 118.9777 59.2984 29.1703 178.1623 87 T 3.8830 8.0056 117.1187 66.7020 68.5263 176.9233 88 S 4.1595 8.3697 116.5280 61.3417 62.8882 176.2274 89 Q 3.8890 8.3743 123.1294 58.8441 28.8163 178.0647 90 A 3.9082 8.0141 121.7089 55.2249 18.4263 179.6649 91 V 3.4944 7.7793 116.6459 66.3480 31.5336 177.9846 92 N 4.3519 8.3857 116.2327 56.2059 37.9895 177.4094 93 L 3.9944 8.1347 120.5323 57.7028 41.7444 179.6168 94 L 4.0858 7.8737 118.7852 57.9890 41.7089 179.6994 95 R 4.3364 8.3904 119.5942 58.6899 29.8718 178.7604 96 S 4.4214 8.1937 110.9750 59.5843 63.4698 175.0621 97 A 4.4575 7.3321 123.2591 51.8286 19.1632 177.5300 98 G 3.9216 7.7688 104.2655 45.0449 0.0000 174.6453 99 F 4.1728 8.4996 120.4535 57.6441 39.3009 176.2094 100 E 4.0176 9.0895 126.2830 58.7304 30.0748 176.7376 101 H 4.9474 7.8376 115.1026 53.4739 29.0799 171.4726 102 V 4.6894 7.8093 118.9394 60.9508 33.6310 174.6143 103 S 4.7411 8.9796 122.4862 56.3149 65.5338 172.5258 104 E 4.5132 8.7918 126.5631 55.9808 30.2692 176.4678 105 L 4.3646 9.3348 128.5320 53.7807 42.4563 175.8432 106 K 4.0164 8.6424 125.4635 58.2211 32.6614 177.8689 107 G 3.9924 9.0434 112.1569 44.1945 0.0000 174.4814 108 G 3.7050 8.0403 109.2218 46.1196 0.0000 175.3204 109 L 3.6296 8.3922 119.3152 58.0742 42.1163 179.0544 110 A 3.9630 8.0231 119.8184 55.3281 18.5339 179.2976 111 A 3.9709 7.9238 118.9204 54.8612 18.4317 179.6059 112 W 4.1138 8.2222 126.8543 60.7290 30.8619 178.2992 113 K 3.9024 8.6847 118.5659 59.4932 31.2753 179.1210 114 A 4.0995 7.9997 120.1012 53.9201 18.1761 178.0506 115 I 4.1537 6.7236 108.8713 60.3709 37.7748 175.8346 116 G 3.7480 7.9308 107.1858 47.0321 0.0000 174.9228 117 G 2.4169 7.2679 108.2937 43.4224 0.0000 173.0007 118 P 4.4048 0.0000 0.0000 62.9293 31.9110 175.5457 119 T 5.0361 8.2072 110.9833 60.2284 72.4211 172.0139 120 E 4.7994 8.8989 121.7429 54.6968 33.9066 174.8647 121 L 4.2026 8.4625 122.9758 56.0099 40.3274 175.8654 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 20 S 8.33 4.41 0.00 4.00 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 21 D 8.36 4.26 0.00 2.83 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 22 A 9.63 4.06 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 23 H 8.39 3.96 0.00 3.23 3.41 0.00 5.83 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 24 V 7.68 3.57 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 1.08 0.00 0.00 1.02 0.00 0.00 25 L 7.87 3.92 0.00 1.79 1.80 0.91 0.52 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 26 K 8.46 3.93 0.00 1.71 1.95 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 27 S 8.22 4.28 0.00 4.10 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 28 R 7.92 4.05 0.00 1.94 1.99 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 29 L 7.67 3.95 0.00 1.76 1.59 0.90 0.70 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 *33 E 8.44 4.16 0.00 2.01 1.79 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 2.13 1.88 0.00 34 P 0.00 4.61 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 35 A 8.24 4.13 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 36 F 7.63 5.37 0.00 3.26 3.16 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 37 T 9.37 4.86 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 1.24 0.00 0.00 38 I 8.55 5.00 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 1.44 1.70 0.99 0.00 0.00 39 L 9.26 4.68 0.00 1.39 1.39 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.44 3.90 0.00 2.57 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 41 V 7.88 4.02 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 0.48 0.00 0.00 0.87 0.00 0.00 42 R 7.96 4.62 0.00 1.95 1.91 0.00 3.22 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 43 D 8.60 4.46 0.00 2.80 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 44 R 8.67 3.89 0.00 1.86 1.92 0.00 3.09 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 45 S 8.00 4.17 0.00 4.09 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 46 T 7.79 4.05 4.49 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 1.28 0.00 0.00 47 Y 8.30 4.17 0.00 3.02 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 48 N 8.37 4.46 0.00 2.96 2.92 0.00 0.00 7.12 8.52 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 49 D 7.98 4.63 0.00 2.87 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 50 G 6.04 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 0.00 0.00 0.00 0.00 51 H 8.05 5.08 0.00 3.34 3.25 0.00 5.28 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 52 I 8.38 3.82 1.63 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.33 -0.13 0.00 0.00 *54 G 9.04 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 55 A 8.12 4.79 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 *57 A 8.22 3.47 0.12 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 0.00 0.00 *59 P 0.00 4.40 0.00 2.23 1.96 0.00 3.78 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 60 I 8.35 3.65 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.30 0.88 0.00 0.00 61 E 8.20 3.98 0.00 2.09 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 2.24 2.31 0.00 62 D 8.16 4.85 0.00 2.65 2.61 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 63 L 7.63 3.82 0.00 1.78 1.73 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.74 3.60 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 1.16 0.00 0.00 0.94 0.00 0.00 65 D 8.04 4.38 0.00 2.72 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 66 R 8.22 3.91 0.00 1.80 1.92 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 67 A 8.39 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.27 4.27 0.00 3.97 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 69 S 8.00 4.36 0.00 4.05 4.06 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 70 S 7.99 4.63 0.00 4.07 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 71 L 7.61 4.92 0.00 2.06 1.83 0.95 1.17 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 72 E 8.33 4.53 0.00 2.09 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 0.00 2.34 2.28 0.00 73 K 8.27 3.58 0.00 1.59 1.72 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.09 1.05 7.81 74 S 7.83 4.41 0.00 4.04 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 75 R 7.71 3.95 0.00 2.13 2.16 0.00 3.37 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 76 D 8.89 4.70 0.00 2.96 2.52 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 77 I 8.98 5.00 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.95 0.80 0.00 0.00 78 Y 9.12 5.07 0.00 2.87 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 79 V 8.83 5.04 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 0.85 0.00 0.00 0.84 0.00 0.00 80 Y 8.35 5.12 0.00 3.08 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 81 G 8.51 4.59 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 0.00 0.00 0.00 82 A 9.39 4.17 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 83 G 7.58 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 0.00 0.00 0.00 84 D 8.87 4.33 0.00 2.79 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 85 E 8.13 3.90 0.00 2.04 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 2.38 2.37 0.00 86 Q 8.03 3.94 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 87 T 8.01 3.88 4.39 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 1.26 0.00 0.00 88 S 8.37 4.16 0.00 4.03 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 89 Q 8.37 3.89 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 90 A 8.01 3.91 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 91 V 7.78 3.49 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 1.02 0.00 0.00 0.98 0.00 0.00 92 N 8.39 4.35 0.00 2.93 2.85 0.00 0.00 7.06 6.55 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 93 L 8.13 3.99 0.00 1.82 1.71 0.90 0.58 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 94 L 7.87 4.09 0.00 1.76 1.51 0.63 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.39 4.34 0.00 1.93 2.00 0.00 3.13 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 96 S 8.19 4.42 0.00 4.04 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 97 A 7.33 4.46 1.58 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 0.00 0.00 98 G 7.77 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 99 F 8.50 4.17 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.09 4.02 0.00 1.69 1.69 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 2.24 2.34 0.00 101 H 7.84 4.95 0.00 3.11 3.19 0.00 5.78 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.81 4.69 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 0.69 0.00 0.00 0.94 0.00 0.00 103 S 8.98 4.74 0.00 3.68 3.30 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 0.00 104 E 8.79 4.51 0.00 1.93 1.93 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 2.33 2.32 0.00 105 L 9.33 4.36 0.00 1.89 1.85 0.95 0.23 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 0.00 106 K 8.64 4.02 0.00 1.83 1.81 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 107 G 9.04 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 0.00 108 G 8.04 3.71 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 0.00 0.00 0.00 109 L 8.39 3.63 0.00 1.64 1.66 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.02 3.96 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 0.00 111 A 7.92 3.97 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 0.00 112 W 8.22 4.11 0.00 3.39 3.18 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 0.00 113 K 8.68 3.90 0.00 1.96 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.71 7.81 114 A 8.00 4.10 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 0.00 115 I 6.72 4.15 1.68 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.31 0.82 0.00 0.00 116 G 7.93 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 0.00 117 G 7.27 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 0.00 0.00 0.00 118 P 0.00 4.40 0.00 2.25 2.08 0.00 3.94 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 119 T 8.21 5.04 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 1.41 0.00 0.00 120 E 8.90 4.80 0.00 1.99 1.52 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 2.21 2.21 0.00 121 L 8.46 4.20 0.00 1.74 1.46 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.