NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.2998 0.0000 0.0000 62.3244 32.6437 176.4790 6 A 3.6261 8.3963 126.2261 52.6231 18.6470 176.5113 7 G 3.9917 9.8673 100.8155 45.7949 0.0000 170.0856 8 R 4.5936 7.2833 115.6079 54.1370 32.2053 172.3213 *10 P 4.7739 0.0000 0.0000 62.4549 33.7705 177.1142 11 L 3.8789 8.3228 120.5358 58.3286 41.5648 180.0803 12 T 3.7449 7.8079 109.1162 64.6485 68.5463 176.6606 13 V 3.4848 7.5340 120.5700 66.0129 31.6446 177.2861 14 H 4.1560 8.3493 116.2148 59.0696 28.5710 177.5747 15 R 3.5359 8.0416 120.3189 59.4026 29.9182 178.2740 16 N 3.6408 7.7653 116.1360 55.9633 38.3241 177.5702 17 V 3.6978 7.7233 120.0090 65.9394 31.6891 178.1586 18 G 3.4617 7.9998 105.8304 47.8105 0.0000 175.5874 19 R 3.8041 7.6368 120.8839 58.9600 30.1108 178.7096 20 W 4.4275 7.8429 118.7953 59.8042 28.9641 178.5649 21 L 4.1141 8.3729 119.1848 57.9468 40.9786 179.7503 22 S 4.1193 8.2472 115.1377 61.5075 62.4989 176.5644 23 E 3.9934 8.2481 120.5419 59.5242 29.4966 179.1335 24 I 3.8934 7.9295 119.7398 64.3129 37.1808 178.4244 25 L 4.0602 8.1371 121.3142 57.6402 41.3008 179.0936 26 H 4.1070 8.3853 116.6022 58.7317 29.8012 176.1443 27 A 4.5413 7.6317 120.0157 52.2899 18.8270 177.4852 28 S 4.7460 7.8194 111.0834 57.6376 63.9676 175.9400 29 I 3.7011 8.0729 123.7693 64.7834 36.7706 176.8384 30 R 4.4510 8.0438 116.2087 56.0609 30.2003 176.9029 31 D 4.8205 8.1578 120.7055 52.1153 41.7435 176.2321 32 T 4.3909 7.6911 117.3851 63.6544 68.7596 176.6681 33 G 3.7189 8.0611 109.8965 47.0376 0.0000 175.7171 34 V 3.5269 7.6538 120.2294 65.7722 31.9476 178.1993 35 S 4.1815 8.3007 114.5551 61.4781 62.9138 176.5106 36 S 4.1868 8.5138 118.4121 61.1858 62.6805 176.7898 37 R 3.9947 7.6181 121.4319 59.1302 29.8048 179.0514 38 I 3.7830 7.9125 119.6520 64.4068 36.9700 178.3917 39 E 4.0270 8.4968 119.6484 59.1683 29.2022 179.0435 40 F 4.1555 8.2331 120.7115 61.3070 39.3974 177.4062 41 V 3.0575 7.7913 117.7663 65.7326 31.2594 177.8985 42 R 3.5153 8.1491 118.8055 59.4859 29.9961 178.7382 43 R 3.9824 8.1002 118.0895 59.3538 30.0050 179.0546 44 T 3.3757 7.4113 115.5807 66.6049 68.2787 176.6649 45 L 3.4091 7.1580 120.6540 57.5906 41.2080 178.8783 46 H 4.2790 7.8048 118.5963 59.3143 29.7651 177.5521 47 G 3.5976 7.8219 106.8227 47.6681 0.0000 175.7921 48 W 4.7931 8.5353 123.4589 58.9987 28.9610 179.0516 49 V 3.9212 8.4495 119.4749 64.8908 30.5339 178.3427 50 R 3.6296 7.5182 118.2523 59.2376 30.0784 178.1001 51 E 4.1090 7.8757 116.9079 59.0589 29.2625 178.7672 52 E 4.0537 8.0807 117.5221 57.1194 30.3490 176.4671 53 Y 4.7776 7.1755 115.3530 55.0938 41.6430 175.4453 54 S 4.6276 9.0707 119.1455 58.1921 65.0083 175.5138 55 E 4.2539 8.5699 123.2183 59.1591 28.9161 179.8811 56 T 3.9148 7.7799 114.9176 66.7561 68.7095 176.0847 57 E 4.3924 8.0920 119.2811 57.6073 30.5171 176.7902 58 L 4.6223 8.0506 120.7029 51.1742 42.5635 173.4568 59 P 4.6601 0.0000 0.0000 60.9687 33.5458 175.7232 60 N 4.2997 8.8612 119.0645 57.3733 38.6259 176.8502 61 A 4.1087 8.0682 119.8067 55.3016 18.4656 179.2297 62 V 3.7433 7.6953 115.3463 65.8585 31.9952 177.2000 63 Y 4.4303 8.4297 119.9760 60.7050 38.5403 178.0560 64 R 4.0305 8.2123 112.8706 57.2603 29.2462 176.0384 65 N 4.9697 8.0077 115.8306 53.4737 40.3222 174.1809 66 L 4.2477 8.1103 119.0871 56.1344 43.0909 176.7533 67 Y 4.1256 7.8173 112.9069 58.0237 39.6032 175.6146 68 F 4.7326 7.7038 116.8062 55.3385 39.1958 174.0766 69 P 4.2552 0.0000 0.0000 63.3544 31.4103 178.7641 70 V 3.7394 7.8144 122.2246 60.6451 30.1238 172.7598 *81 G 3.8547 8.3290 113.7427 43.8793 0.0000 169.6619 82 K 4.7227 7.8430 120.6289 54.1327 33.5623 175.7366 83 I 4.0706 8.7149 128.5128 61.0900 36.4895 175.5295 84 E 4.7362 8.6129 120.8406 55.0790 31.3631 175.5029 85 T 4.7481 7.5267 109.4041 59.4586 73.2591 174.6119 86 I 3.7082 8.2313 123.3959 64.5912 37.2237 178.6787 87 S 4.1182 8.0954 114.6289 61.6648 62.6169 176.1028 88 E 3.9143 8.2795 122.8942 59.0191 29.2943 178.4316 89 C 4.1084 8.1997 116.7952 62.9593 28.2127 175.9495 90 D 4.2944 8.2199 120.3120 57.2890 40.5234 178.7401 91 R 3.8607 8.0871 119.1931 59.5417 30.0429 178.5727 92 L 3.9880 8.0494 118.7659 57.5991 41.4963 179.3327 93 K 3.8786 8.3037 119.8814 59.5222 31.9959 178.3661 94 N 4.2012 8.2065 117.2963 56.5317 38.8582 176.9457 95 L 3.5738 7.6496 120.2721 57.5484 41.6334 179.5071 96 V 3.5458 8.0142 118.5966 65.9850 31.3672 177.9069 97 R 3.8090 8.1183 118.5712 59.4733 29.8737 177.8690 98 N 3.8945 7.9240 116.3823 56.3308 38.3167 177.5043 99 V 3.8352 7.5350 119.0599 66.3588 31.6766 178.0269 100 T 3.9019 8.1859 115.7785 66.8953 68.3785 176.0731 101 D 4.4198 8.3843 120.9673 57.8917 40.7874 179.2627 102 T 3.9965 8.0555 115.9208 66.7414 68.5324 176.7370 103 L 4.3464 8.3247 121.0353 57.9869 41.4427 179.8293 104 V 3.7545 7.9483 117.3443 66.0208 31.5258 177.7004 105 E 4.1428 8.3485 117.7190 58.6621 29.3707 178.0292 106 N 4.6300 7.9394 114.2124 52.4759 40.1843 174.5704 107 Y 4.8405 7.2841 117.1513 54.8826 40.7818 173.9156 108 P 4.4511 0.0000 0.0000 62.2561 32.1484 176.0404 109 Q 4.0102 8.7715 121.3668 55.8444 29.5234 176.1458 110 G 4.1365 8.2628 114.3373 44.2952 0.0000 173.3298 111 L 3.9966 7.9652 119.4951 57.7554 40.1130 179.6633 112 E 4.1185 8.2326 118.2239 59.7787 29.5361 179.5328 113 S 4.5905 8.1002 113.5631 61.2822 63.2260 175.6142 114 E 3.9572 8.6027 123.0638 59.1820 29.3211 178.5343 115 A 4.1107 8.0744 120.5084 55.4533 18.4022 179.7007 116 L 4.0827 7.5670 114.8027 57.9206 41.6234 179.7442 117 L 4.0586 8.2120 119.0495 57.6858 41.4868 179.6418 118 I 3.6988 8.3224 120.1011 64.2901 37.1071 178.2551 119 A 4.0035 8.0299 121.5621 55.2730 18.2371 179.7203 120 L 3.9793 8.2343 117.6111 57.8821 41.5933 179.1315 121 D 4.4472 8.4857 118.3938 57.4249 41.1567 178.6710 122 G 3.5995 8.3553 106.2356 47.5742 0.0000 175.8724 123 V 3.6231 7.6994 120.4700 65.9289 31.4809 178.3024 124 K 3.9653 8.0370 118.2273 59.4288 31.9660 179.2671 125 L 3.9858 8.2419 119.6805 57.8297 41.1141 179.5202 126 E 3.9913 8.3495 118.5165 59.3448 29.3519 179.2885 127 L 4.0419 8.1869 118.9824 57.6912 41.6873 179.3555 128 A 3.9742 8.2927 120.9962 55.1934 18.3190 179.7158 129 R 3.8556 7.9194 116.7909 59.5226 30.1622 178.7609 130 I 3.6968 7.8807 119.6311 64.4175 37.0760 178.2749 131 R 3.8746 8.2159 119.7264 59.3250 29.6588 178.2936 132 K 3.8755 7.8855 118.0582 59.6289 32.2747 177.7790 133 D 4.7106 8.0312 116.8914 57.4900 41.4493 178.0238 134 I 3.9530 7.9770 120.2244 64.4249 36.9452 178.1573 135 E 3.9668 7.9456 114.2320 58.1409 29.1298 177.4185 *137 Y 4.5645 7.6678 115.5654 57.3262 39.9261 174.9590 138 G 4.2948 7.8590 110.0422 43.9371 0.0000 172.2408 139 D 4.6890 8.3646 118.4746 52.2744 42.3648 175.4595 140 P 4.4246 0.0000 0.0000 63.0040 31.2672 176.2167 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 5 P 0.00 4.30 0.00 2.02 2.02 0.00 3.61 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 1.89 2.05 0.00 6 A 8.40 3.63 1.03 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 7 G 9.87 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 8 R 7.28 4.59 0.00 1.64 1.71 0.00 2.73 0.00 0.00 2.97 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 *10 P 0.00 4.77 0.00 2.24 2.03 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 11 L 8.32 3.88 0.00 1.49 1.53 0.58 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.81 3.74 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 1.16 0.00 0.00 13 V 7.53 3.48 2.20 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 1.16 0.00 0.00 0.93 0.00 0.00 14 H 8.35 4.16 0.00 3.34 3.26 0.00 5.68 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 15 R 8.04 3.54 0.00 1.82 1.86 0.00 2.97 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 16 N 7.77 3.64 0.00 2.34 1.46 0.00 0.00 6.71 6.96 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 17 V 7.72 3.70 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 1.33 0.00 0.00 1.17 0.00 0.00 18 G 8.00 3.46 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 0.00 19 R 7.64 3.80 0.00 1.66 1.69 0.00 3.04 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 20 W 7.84 4.43 0.00 3.68 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 21 L 8.37 4.11 0.00 1.86 1.74 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.25 4.12 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.99 0.00 2.18 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 0.00 2.37 2.48 0.00 24 I 7.93 3.89 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.41 0.93 0.00 0.00 25 L 8.14 4.06 0.00 1.87 1.74 0.91 1.06 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 26 H 8.39 4.11 0.00 3.12 3.50 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.63 4.54 1.42 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 28 S 7.82 4.75 0.00 3.98 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 29 I 8.07 3.70 1.84 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 1.40 0.71 0.90 0.00 0.00 30 R 8.04 4.45 0.00 1.93 1.93 0.00 2.98 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 31 D 8.16 4.82 0.00 2.61 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 32 T 7.69 4.39 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 33 G 8.06 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 34 V 7.65 3.53 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 1.09 0.00 0.00 0.94 0.00 0.00 35 S 8.30 4.18 0.00 4.10 4.30 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 36 S 8.51 4.19 0.00 4.05 4.19 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 0.00 0.00 0.00 0.00 37 R 7.62 3.99 0.00 1.88 2.17 0.00 3.25 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 38 I 7.91 3.78 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.90 0.97 0.00 0.00 39 E 8.50 4.03 0.00 2.20 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 2.37 2.53 0.00 40 F 8.23 4.16 0.00 3.12 3.25 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 41 V 7.79 3.06 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 0.88 0.00 0.00 0.98 0.00 0.00 42 R 8.15 3.52 0.00 1.73 1.88 0.00 2.52 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.31 0.00 43 R 8.10 3.98 0.00 1.88 1.94 0.00 3.28 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 44 T 7.41 3.38 3.47 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 -0.04 0.00 0.00 45 L 7.16 3.41 0.00 0.62 0.96 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.80 4.28 0.00 3.33 3.59 0.00 5.78 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 47 G 7.82 3.60 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 0.00 0.00 0.00 48 W 8.54 4.79 0.00 3.54 3.43 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 49 V 8.45 3.92 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 1.33 0.00 0.00 1.01 0.00 0.00 50 R 7.52 3.63 0.00 1.02 2.01 0.00 2.21 0.00 0.00 2.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 51 E 7.88 4.11 0.00 2.28 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 2.33 2.50 0.00 52 E 8.08 4.05 0.00 2.14 1.62 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 2.35 2.68 0.00 53 Y 7.18 4.78 0.00 3.06 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 54 S 9.07 4.63 0.00 4.05 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 55 E 8.57 4.25 0.00 2.03 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 2.40 2.24 0.00 56 T 7.78 3.91 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 1.22 0.00 0.00 57 E 8.09 4.39 0.00 2.09 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 0.00 2.42 2.39 0.00 58 L 8.05 4.62 0.00 1.64 1.67 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.66 0.00 2.22 1.98 0.00 3.99 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 2.12 2.02 0.00 60 N 8.86 4.30 0.00 2.88 2.91 0.00 0.00 6.89 8.26 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 61 A 8.07 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.70 3.74 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 0.85 0.00 0.00 0.94 0.00 0.00 63 Y 8.43 4.43 0.00 3.06 3.27 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 64 R 8.21 4.03 0.00 1.90 2.03 0.00 3.05 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 65 N 8.01 4.97 0.00 2.69 2.72 0.00 0.00 6.94 7.48 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 66 L 8.11 4.25 0.00 1.80 1.73 0.76 0.94 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 67 Y 7.82 4.13 0.00 3.02 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 68 F 7.70 4.73 0.00 2.88 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 69 P 0.00 4.26 0.00 2.00 1.98 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 70 V 7.81 3.74 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 0.69 0.00 0.00 0.93 0.00 0.00 *81 G 8.33 3.85 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 0.00 0.00 0.00 82 K 7.84 4.72 0.00 1.68 1.70 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.48 7.81 83 I 8.71 4.07 1.88 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 1.36 0.84 0.92 0.00 0.00 84 E 8.61 4.74 0.00 2.01 1.96 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 2.35 2.29 0.00 85 T 7.53 4.75 4.25 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 1.22 0.00 0.00 86 I 8.23 3.71 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 1.70 0.98 0.94 0.00 0.00 87 S 8.10 4.12 0.00 4.04 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 88 E 8.28 3.91 0.00 2.12 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 0.00 2.31 2.40 0.00 89 C 8.20 4.11 0.00 3.15 2.97 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 90 D 8.22 4.29 0.00 2.86 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 91 R 8.09 3.86 0.00 1.96 2.04 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 92 L 8.05 3.99 0.00 1.73 1.70 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.30 3.88 0.00 1.92 1.94 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 94 N 8.21 4.20 0.00 2.82 2.89 0.00 0.00 7.22 5.94 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 95 L 7.65 3.57 0.00 1.88 1.64 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.01 3.55 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 1.07 0.00 0.00 0.95 0.00 0.00 97 R 8.12 3.81 0.00 1.93 1.95 0.00 3.11 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 1.56 1.64 0.00 98 N 7.92 3.89 0.00 1.77 1.42 0.00 0.00 6.71 8.53 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 99 V 7.54 3.84 2.28 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 1.23 0.00 0.00 1.29 0.00 0.00 100 T 8.19 3.90 4.25 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 1.24 0.00 0.00 101 D 8.38 4.42 0.00 2.94 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 0.00 102 T 8.06 4.00 4.64 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 1.43 0.00 0.00 103 L 8.32 4.35 0.00 1.96 1.95 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.95 3.75 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 0.88 0.00 0.00 1.02 0.00 0.00 105 E 8.35 4.14 0.00 2.23 2.02 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 2.37 2.59 0.00 106 N 7.94 4.63 0.00 2.51 2.40 0.00 0.00 6.85 8.80 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 0.00 107 Y 7.28 4.84 0.00 3.21 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 0.00 108 P 0.00 4.45 0.00 2.19 2.07 0.00 4.04 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 109 Q 8.77 4.01 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 110 G 8.26 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 0.00 111 L 7.97 4.00 0.00 1.73 1.79 0.94 0.89 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 0.00 112 E 8.23 4.12 0.00 1.89 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 2.39 2.17 0.00 113 S 8.10 4.59 0.00 4.21 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 0.00 114 E 8.60 3.96 0.00 2.24 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 2.36 2.38 0.00 115 A 8.07 4.11 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 0.00 116 L 7.57 4.08 0.00 1.80 1.66 0.21 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.21 4.06 0.00 1.87 1.76 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.32 3.70 2.09 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 1.47 0.73 0.90 0.00 0.00 119 A 8.03 4.00 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 0.00 0.00 0.00 0.00 0.00 120 L 8.23 3.98 0.00 1.73 1.75 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.49 4.45 0.00 2.88 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 0.00 122 G 8.36 3.60 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 0.00 0.00 0.00 123 V 7.70 3.62 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 1.11 0.00 0.00 1.02 0.00 0.00 124 K 8.04 3.97 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 125 L 8.24 3.99 0.00 1.82 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.35 3.99 0.00 2.15 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 2.43 2.49 0.00 127 L 8.19 4.04 0.00 1.80 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.29 3.97 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 0.00 129 R 7.92 3.86 0.00 1.94 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 130 I 7.88 3.70 2.02 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 1.41 0.54 0.96 0.00 0.00 131 R 8.22 3.87 0.00 1.93 2.08 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 132 K 7.89 3.88 0.00 2.06 1.97 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 133 D 8.03 4.71 0.00 2.86 2.90 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 0.00 134 I 7.98 3.95 2.03 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 1.55 0.95 0.92 0.00 0.00 135 E 7.95 3.97 0.00 2.05 1.96 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 2.34 2.53 0.00 *137 Y 7.67 4.56 0.00 3.16 3.05 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 0.00 0.00 0.00 138 G 7.86 4.29 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 0.00 139 D 8.36 4.69 0.00 2.66 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 0.00 140 P 0.00 4.42 0.00 2.07 1.95 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.