NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 P 4.4335 0.0000 0.0000 61.7868 32.5139 175.2931 9 E 4.3946 8.3287 123.3855 54.1819 32.2594 173.2911 10 Y 3.8836 9.1718 122.9588 59.7995 36.4553 170.2989 11 E 4.6001 8.2416 117.4951 55.5607 28.4492 176.0089 12 D 4.8106 7.6939 114.0708 52.3926 40.7691 177.2688 13 G 3.9195 8.3651 106.1926 46.9196 0.0000 174.5415 14 R 4.4864 8.1697 115.5696 54.9395 31.3998 178.6582 15 G 3.5775 7.8686 105.6409 45.1338 0.0000 175.2940 16 F 3.9265 7.6325 113.4363 57.3791 36.5521 174.5121 17 G 4.0015 7.6729 110.4979 44.4224 0.0000 171.9535 18 I 4.0556 8.2983 120.2719 63.1088 37.1985 177.0590 19 G 4.0310 9.1422 114.5996 44.8667 0.0000 173.3439 20 E 4.2228 7.9514 120.3405 56.2028 30.8605 176.1897 21 L 4.6779 8.5884 124.5300 54.7160 43.1806 176.3624 22 V 5.1363 9.1387 116.0785 59.6676 36.8224 174.0816 23 W 5.4807 9.9781 123.2019 55.4136 31.3635 175.7426 24 G 4.9779 10.3315 111.6096 44.4479 0.0000 171.4206 25 K 4.5477 8.7978 124.8795 54.1132 33.9831 175.2968 26 L 4.7244 8.0946 126.7048 52.2378 44.3883 175.8842 27 R 3.9491 8.4271 122.5892 58.0934 30.2549 176.8943 28 G 3.6849 9.0277 113.1669 45.1013 0.0000 172.7919 29 F 4.8768 7.4341 117.1508 55.1301 42.2114 175.3698 30 S 4.3690 8.6149 118.9652 57.9142 63.3764 174.2664 31 W 4.7379 8.8206 122.0238 57.6544 29.5079 175.4534 32 W 5.2589 9.8597 133.4057 54.9793 33.7614 172.6608 33 P 4.6141 0.0000 0.0000 62.9530 32.3498 175.7301 34 G 4.5496 9.0989 110.0660 45.6227 0.0000 171.5179 35 R 5.2773 8.1942 114.9410 54.1029 33.2808 174.8416 36 I 4.2746 8.5777 122.8877 61.6816 37.9858 175.7043 37 V 4.7166 8.4944 120.0693 59.0695 34.6325 175.6507 38 S 4.3601 7.9588 116.1285 57.3584 63.0801 174.9936 39 W 3.6037 8.9116 123.0148 59.0215 27.8916 177.8884 40 W 3.4927 6.0000 113.0362 56.9914 27.4782 176.0040 41 M 4.3396 6.6536 115.3308 55.2848 31.1081 176.5926 42 T 2.4800 7.0556 110.2880 61.3551 69.4835 176.0173 43 G 3.8799 7.8827 108.4136 45.7432 0.0000 173.5939 44 R 4.6414 7.0158 118.7474 56.0317 30.3399 176.4178 45 S 4.8129 8.6168 121.4813 56.6049 66.1228 173.6044 46 R 3.4164 7.6576 120.3921 56.1696 29.9689 176.0399 47 A 4.0625 8.7359 127.7022 51.8068 19.3399 177.0501 48 A 4.2074 7.8606 123.3980 51.1761 19.2320 176.9262 49 E 4.0365 8.5606 120.2514 58.0938 30.0485 177.5425 50 G 3.9566 9.6980 113.6441 45.7876 0.0000 172.5770 51 T 5.0485 7.5888 108.6322 59.7189 71.7843 173.6632 52 R 4.4124 8.6081 120.4978 54.0540 34.9147 174.4852 53 W 4.9347 9.0684 122.8598 56.2287 30.5864 175.6385 54 V 4.5669 8.8306 125.0659 59.8908 33.8400 174.2777 55 M 4.3903 8.5169 125.0315 53.6690 33.5745 175.1465 56 W 4.9050 8.4641 127.5892 56.7395 30.3629 176.4021 57 F 4.3671 9.1091 123.2713 58.2130 39.0118 174.2694 58 G 4.5760 10.4935 116.6698 44.2350 0.0000 173.8505 59 D 4.7816 7.8311 119.4188 51.2674 40.8708 176.7933 60 G 4.1117 8.3175 107.0649 46.4058 0.0000 174.0683 61 K 4.1420 7.8262 118.6809 55.9999 33.5006 175.8757 62 F 5.4955 8.6145 120.2472 56.1656 41.2258 175.4453 63 S 5.1477 9.0312 118.2444 56.8444 67.5750 173.2348 64 V 3.8261 7.9941 122.6533 60.4389 32.5830 175.5040 65 V 4.4010 8.3488 124.2100 60.8340 35.1457 174.6176 66 C 4.5974 8.6142 124.8243 59.7633 28.8834 175.3647 67 V 3.3929 8.3823 116.5373 64.2049 31.3599 178.7057 68 E 4.0928 8.2051 118.3448 58.7671 29.6433 177.4600 69 K 4.6945 8.1882 117.3520 56.0000 33.2409 175.9201 70 L 5.5949 7.8066 119.6055 53.3934 44.5467 175.9737 71 M 5.3070 9.3725 120.8274 52.8023 36.7309 173.5981 72 P 4.8660 0.0000 0.0000 62.4055 32.6192 176.9730 73 L 4.1846 8.5655 121.6894 58.3183 42.0656 179.5295 74 S 4.4839 8.1069 111.9222 61.2257 62.5714 174.6624 75 S 4.5405 8.1894 117.7427 58.6256 62.9048 176.3802 76 F 4.2375 8.3066 123.0334 62.0082 38.9854 176.0108 77 C 4.4287 8.1648 114.2101 62.7015 28.0326 175.6379 78 S 4.1733 7.8472 115.0568 60.1480 62.6621 175.3075 79 A 3.6543 6.4139 121.5501 51.9890 19.6707 177.6506 80 F 3.6772 7.0350 119.2810 58.7645 39.9573 174.5043 81 H 4.5259 7.8015 125.8382 53.5847 31.8979 173.6346 82 Q 3.8129 8.3568 129.7031 59.2790 28.8243 177.9261 83 A 3.9557 7.5683 121.0775 55.4898 18.3138 179.6366 84 T 3.6738 7.5199 113.6941 66.6388 68.2948 176.1099 85 Y 4.1662 7.3216 120.3441 60.9977 38.9373 177.7005 86 N 4.5411 8.5180 116.3625 55.8748 38.6739 176.7358 87 K 4.4845 7.6727 118.3252 56.2393 33.1176 176.5589 88 Q 4.5851 7.9165 119.4943 53.5351 29.6667 174.6449 89 P 4.2258 0.0000 0.0000 65.6410 31.2833 178.4067 90 M 4.2316 8.1569 116.8028 58.4787 32.1383 177.5510 91 Y 3.3791 8.1278 119.5254 60.5975 39.0291 177.8724 92 R 3.8315 7.7182 119.0852 59.0320 30.0130 179.0250 93 K 3.9423 8.1383 119.2962 59.4685 32.2188 178.8251 94 A 4.1137 8.1654 121.2431 55.0418 18.2264 179.7024 95 I 3.5293 7.8106 118.6519 64.5960 37.2767 177.6240 96 Y 4.0934 8.1842 120.4811 61.0743 38.6343 178.3975 97 E 3.7816 8.3806 119.3199 59.3167 29.5190 179.8208 98 V 2.8391 7.3730 119.1713 64.4373 31.3146 178.3484 99 L 4.1859 7.8344 119.4725 57.1483 41.5396 179.3582 100 Q 3.8056 7.7977 118.3170 58.8246 28.6412 178.9223 101 V 3.5145 7.4825 118.6802 65.8292 31.5932 177.8007 102 A 4.0638 8.2147 120.9192 55.4226 18.3287 179.8589 103 S 3.8950 8.6442 113.0958 61.3749 62.8148 176.5634 104 S 4.0330 8.0421 116.7443 61.3277 61.9114 176.4214 105 R 4.0171 7.8104 119.3857 59.1817 29.9445 178.5798 106 A 4.3544 8.1135 118.9397 52.6877 18.4853 178.3218 107 G 3.6904 7.3818 103.4261 45.8812 0.0000 173.2970 108 K 3.7618 7.7268 121.2758 55.0158 32.2804 176.2290 109 L 4.2377 7.6545 126.3533 53.2574 42.9892 176.0602 110 F 4.7743 8.1476 120.6939 55.1205 41.6616 173.5195 111 P 4.3784 0.0000 0.0000 63.2611 30.4910 176.3861 *124 A 4.0506 7.7582 119.7378 52.3088 20.8343 178.3787 125 V 3.2072 7.9117 121.5020 66.0502 31.5221 178.5199 126 E 4.1238 8.0997 116.8237 59.2951 29.3842 179.1777 127 V 3.8132 7.6669 117.7567 66.1293 30.7240 178.1043 128 Q 4.0591 7.8374 116.4829 58.7933 28.4118 178.4635 129 N 4.7058 8.4024 117.9600 55.8614 38.5071 177.2913 130 K 3.9271 7.7965 120.3852 59.1751 32.2546 177.5718 131 P 4.3232 0.0000 0.0000 65.9744 31.2500 178.3455 132 M 3.5039 7.0683 118.8391 58.0148 31.8072 178.7202 133 I 3.3650 8.2942 120.4200 64.2978 37.2535 178.2019 134 E 3.8621 8.0069 119.4191 59.0929 29.2101 179.2613 135 W 4.1666 8.2123 128.0116 60.3516 30.7999 177.8162 136 A 2.0000 7.2441 120.4222 54.3528 17.3466 179.6815 137 L 3.8670 7.4294 116.3459 57.4740 41.7046 179.2099 138 G 3.7918 7.5392 102.9341 44.9674 0.0000 174.1352 139 G 3.7906 7.1929 109.6158 44.8600 0.0000 173.9290 140 F 2.3000 7.1300 115.6895 57.7262 36.8189 175.7238 141 Q 4.5679 7.9378 117.8223 55.3731 29.4300 175.1615 142 P 4.6152 0.0000 0.0000 64.1508 32.2640 177.5115 143 S 4.1065 8.3474 113.8156 59.4172 63.4819 175.4289 144 G 3.9958 8.6024 110.3391 44.0020 0.0000 171.8109 145 P 4.0390 0.0000 0.0000 65.2282 31.1728 178.7931 146 K 4.1618 8.0818 117.2623 59.4113 32.3293 178.6604 147 G 3.8377 7.8035 104.8015 46.0348 0.0000 173.9986 148 L 4.4313 7.5132 119.6010 54.8458 42.3683 176.9542 149 E 4.1900 7.3499 117.7411 55.1013 30.0080 175.0533 150 P 4.3659 0.0000 0.0000 62.1072 32.0174 174.9777 151 P 4.4327 0.0000 0.0000 63.0963 31.3682 176.1086 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 *8 P 0.00 4.43 0.00 2.11 1.92 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 9 E 8.33 4.39 0.00 1.91 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 1.47 2.02 0.00 10 Y 9.17 3.88 0.00 3.25 3.01 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 11 E 8.24 4.60 0.00 1.99 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 2.29 2.34 0.00 12 D 7.69 4.81 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.37 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 14 R 8.17 4.49 0.00 1.97 2.04 0.00 3.46 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.73 0.00 15 G 7.87 3.58 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 0.00 16 F 7.63 3.93 0.00 3.03 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 17 G 7.67 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 I 8.30 4.06 1.96 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 1.51 0.88 0.93 0.00 0.00 19 G 9.14 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 0.00 0.00 0.00 20 E 7.95 4.22 0.00 2.12 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 2.33 2.43 0.00 21 L 8.59 4.68 0.00 1.62 1.64 0.94 1.09 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 22 V 9.14 5.14 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 1.08 0.00 0.00 0.96 0.00 0.00 23 W 9.98 5.48 0.00 3.31 3.53 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 24 G 10.33 4.98 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 25 K 8.80 4.55 0.00 0.79 1.01 0.00 1.37 0.00 0.00 1.31 0.00 0.00 2.53 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.21 7.81 26 L 8.09 4.72 0.00 1.58 1.60 1.07 0.62 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 27 R 8.43 3.95 0.00 1.73 1.82 0.00 3.33 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 28 G 9.03 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.43 4.88 0.00 2.99 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 30 S 8.61 4.37 0.00 4.03 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 31 W 8.82 4.74 0.00 3.30 3.48 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 32 W 9.86 5.26 0.00 3.43 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 33 P 0.00 4.61 0.00 2.08 1.48 0.00 2.74 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.00 34 G 9.10 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 35 R 8.19 5.28 0.00 1.88 2.08 0.00 2.99 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.46 0.00 36 I 8.58 4.27 2.09 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 1.46 1.14 0.93 0.00 0.00 37 V 8.49 4.72 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 0.71 0.00 0.00 0.99 0.00 0.00 38 S 7.96 4.36 0.00 3.20 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 39 W 8.91 3.60 0.00 3.63 3.48 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 40 W 6.00 3.49 0.00 2.81 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 0.00 0.00 0.00 41 M 6.65 4.34 0.00 1.79 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 42 T 7.06 2.48 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 -0.01 0.00 0.00 43 G 7.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.02 4.64 0.00 1.39 1.53 0.00 3.26 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.54 0.00 45 S 8.62 4.81 0.00 3.84 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 46 R 7.66 3.42 0.00 0.67 1.47 0.00 3.02 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.00 47 A 8.74 4.06 1.27 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 0.00 0.00 48 A 7.86 4.21 1.27 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 0.00 0.00 49 E 8.56 4.04 0.00 1.95 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 2.32 2.36 0.00 50 G 9.70 3.96 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 0.00 0.00 0.00 51 T 7.59 5.05 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 1.11 0.00 0.00 52 R 8.61 4.41 0.00 1.36 1.40 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 53 W 9.07 4.93 0.00 3.60 3.09 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 0.00 0.00 0.00 54 V 8.83 4.57 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 55 M 8.52 4.39 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.10 0.00 56 W 8.46 4.91 0.00 3.22 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 57 F 9.11 4.37 0.00 3.04 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 58 G 10.49 4.58 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 0.00 59 D 7.83 4.78 0.00 2.74 2.77 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 60 G 8.32 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 61 K 7.83 4.14 0.00 1.76 1.83 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 F 8.61 5.50 0.00 2.96 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 63 S 9.03 5.15 0.00 4.03 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 64 V 7.99 3.83 0.67 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 0.26 0.00 0.00 0.22 0.00 0.00 65 V 8.35 4.40 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 0.98 0.00 0.00 1.00 0.00 0.00 66 C 8.61 4.60 0.00 2.98 3.03 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 67 V 8.38 3.39 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 0.73 0.00 0.00 1.02 0.00 0.00 68 E 8.21 4.09 0.00 1.95 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 2.44 0.00 69 K 8.19 4.69 0.00 1.78 1.87 0.00 1.60 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.50 7.81 70 L 7.81 5.59 0.00 0.72 0.78 0.33 0.78 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 71 M 9.37 5.31 0.00 1.84 1.71 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.40 0.00 72 P 0.00 4.87 0.00 2.26 2.19 0.00 3.88 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 73 L 8.57 4.18 0.00 1.93 1.67 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.11 4.48 0.00 4.04 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 75 S 8.19 4.54 0.00 3.97 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 76 F 8.31 4.24 0.00 3.78 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 77 C 8.16 4.43 0.00 2.99 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 78 S 7.85 4.17 0.00 3.67 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 79 A 6.41 3.65 -0.55 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 80 F 7.04 3.68 0.00 2.09 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 81 H 7.80 4.53 0.00 3.00 2.80 0.00 5.65 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.36 3.81 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 83 A 7.57 3.96 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 84 T 7.52 3.67 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 0.74 0.00 0.00 85 Y 7.32 4.17 0.00 2.88 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 86 N 8.52 4.54 0.00 2.88 2.91 0.00 0.00 7.06 7.17 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 87 K 7.67 4.48 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.50 7.81 88 Q 7.92 4.59 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 89 P 0.00 4.23 0.00 2.17 2.09 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 90 M 8.16 4.23 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.97 0.00 91 Y 8.13 3.38 0.00 2.98 3.01 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 92 R 7.72 3.83 0.00 1.81 1.72 0.00 2.59 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.48 0.00 93 K 8.14 3.94 0.00 1.99 2.10 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.49 7.81 94 A 8.17 4.11 1.26 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 0.00 0.00 0.00 95 I 7.81 3.53 2.22 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 1.12 1.10 1.21 0.00 0.00 96 Y 8.18 4.09 0.00 3.17 3.21 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 97 E 8.38 3.78 0.00 1.87 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 98 V 7.37 2.84 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 0.71 0.00 0.00 0.86 0.00 0.00 99 L 7.83 4.19 0.00 1.74 1.84 0.96 1.17 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 0.00 100 Q 7.80 3.81 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 101 V 7.48 3.51 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 1.06 0.00 0.00 0.89 0.00 0.00 102 A 8.21 4.06 1.59 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 0.00 103 S 8.64 3.90 0.00 3.92 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 0.00 104 S 8.04 4.03 0.00 4.00 4.09 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 0.00 0.00 0.00 105 R 7.81 4.02 0.00 2.11 2.10 0.00 3.24 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 106 A 8.11 4.35 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 0.00 0.00 0.00 0.00 0.00 107 G 7.38 3.69 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 0.00 0.00 0.00 108 K 7.73 3.76 0.00 1.19 0.76 0.00 1.15 0.00 0.00 1.40 0.00 0.00 2.31 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.30 0.21 7.81 109 L 7.65 4.24 0.00 1.38 1.36 0.85 0.74 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 0.00 110 F 8.15 4.77 0.00 2.89 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 0.00 111 P 0.00 4.38 0.00 2.19 2.13 0.00 3.91 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 2.03 1.97 0.00 *124 A 7.76 4.05 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 0.00 125 V 7.91 3.21 1.91 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 1.02 0.00 0.00 0.36 0.00 0.00 126 E 8.10 4.12 0.00 2.01 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 2.31 2.35 0.00 127 V 7.67 3.81 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 1.09 0.00 0.00 0.95 0.00 0.00 128 Q 7.84 4.06 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 129 N 8.40 4.71 0.00 3.23 3.05 0.00 0.00 6.85 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.80 3.93 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.72 7.81 131 P 0.00 4.32 0.00 2.31 2.37 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 132 M 7.07 3.50 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.81 0.00 133 I 8.29 3.36 1.75 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 1.50 0.59 0.51 0.00 0.00 134 E 8.01 3.86 0.00 2.18 2.00 0.00 0.00 0.00 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 2.43 0.00 135 W 8.21 4.17 0.00 3.62 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.24 2.00 -0.28 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 0.00 137 L 7.43 3.87 0.00 1.36 1.60 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.54 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 0.00 0.00 0.00 139 G 7.19 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 0.00 0.00 0.00 140 F 7.13 2.30 0.00 2.99 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 0.00 141 Q 7.94 4.57 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 142 P 0.00 4.62 0.00 2.21 2.20 0.00 3.86 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 1.99 1.95 0.00 143 S 8.35 4.11 0.00 4.08 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 0.00 144 G 8.60 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 0.00 145 P 0.00 4.04 0.00 2.11 2.02 0.00 3.60 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 2.11 2.16 0.00 146 K 8.08 4.16 0.00 1.96 2.06 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.51 7.81 147 G 7.80 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 0.00 148 L 7.51 4.43 0.00 1.48 1.56 -0.41 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.35 4.19 0.00 2.07 1.87 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 2.30 2.39 0.00 150 P 0.00 4.37 0.00 2.06 2.02 0.00 3.68 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 2.05 2.26 0.00 151 P 0.00 4.43 0.00 2.19 2.04 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 2.01 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.