NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 I 4.1659 7.8827 114.4126 60.7202 39.9122 173.7023 29 V 4.1889 8.1817 123.4008 61.6520 31.8163 174.4085 30 L 4.3998 8.7990 128.7938 53.9331 43.2788 176.0184 31 E 4.1390 8.5620 121.8786 55.6695 30.0176 174.8056 32 P 4.5463 0.0000 0.0000 62.8748 32.6136 175.8275 33 I 4.3912 8.5883 124.5636 60.0236 38.8692 174.4075 34 Y 4.6530 8.7742 125.8804 57.1979 38.7134 176.2815 35 W 4.6429 9.3242 135.0000 56.2317 29.4958 174.6089 36 N 5.3205 8.1502 121.3119 50.4765 40.0735 175.0141 37 S 4.2170 9.0395 114.2933 60.8710 63.7906 175.2193 38 S 4.5327 7.8129 116.5127 56.9283 62.6079 175.5083 39 N 4.6940 7.5337 119.2694 53.4533 39.9935 173.9816 40 S 4.4198 8.4934 120.9588 58.9778 63.3588 176.7081 41 K 3.7502 7.1849 120.0874 58.6898 31.7538 177.2045 42 F 4.6177 6.8347 117.7077 55.6878 37.8801 175.1744 43 L 4.1693 8.1559 126.0285 53.8422 42.2624 176.7832 44 P 4.2031 0.0000 0.0000 65.7387 30.7747 177.4613 45 G 3.6442 7.5248 105.1792 47.9601 0.0000 173.0107 46 Q 4.4530 7.5508 116.6276 53.9717 30.9417 177.4047 47 G 4.0073 8.0884 109.0446 44.4765 0.0000 173.0740 48 L 4.2302 8.0833 120.6806 54.9262 43.1705 176.8457 49 V 4.7499 8.3107 125.0662 61.0828 34.0531 174.3621 50 L 4.8218 8.7007 126.6678 52.6688 45.7216 175.3391 51 Y 4.9617 8.1992 116.1028 54.8735 37.2158 173.7117 52 P 4.2152 0.0000 0.0000 62.6689 33.4691 177.2970 53 Q 4.7917 9.1942 121.4681 53.9567 31.5836 175.3394 54 I 4.1568 8.1788 122.3896 63.0846 37.4682 176.0794 55 G 4.1591 9.2424 114.3380 45.6204 0.0000 173.8465 56 D 5.2129 8.4900 119.2894 53.8166 42.1978 175.6521 57 K 5.2402 8.5672 118.5224 55.3507 36.8444 174.6746 58 L 4.9686 8.8685 122.6059 53.8476 45.8936 174.3508 59 D 5.3382 8.8037 125.5331 53.0845 43.3470 175.1650 60 I 4.9068 8.8444 124.1362 59.7592 39.6587 174.5506 61 I 4.8879 8.3858 128.1510 59.5025 39.6600 174.9791 62 C 5.0368 8.8470 123.9220 55.9692 39.6224 171.7976 63 P 4.6556 0.0000 0.0000 62.9183 31.9365 175.1762 64 K 5.0544 8.8320 125.5289 54.4808 34.1495 175.5815 65 V 4.4937 8.7320 124.0578 60.4560 34.0799 175.7103 66 D 4.5033 8.8297 124.4966 56.3660 42.8636 177.7185 *71 G 3.8642 8.3276 104.9639 44.4542 0.0000 174.9930 72 Q 4.1435 8.6504 116.1393 55.1336 32.4233 171.9686 73 Y 4.5094 8.2644 123.7336 57.8138 38.7650 174.7587 74 E 4.9175 8.4599 122.6343 54.6399 32.5398 174.8251 75 Y 5.0105 8.0717 119.0647 55.3605 41.7937 174.2977 76 Y 5.0983 8.4864 120.2313 56.5902 42.9247 173.7403 77 K 4.8055 8.8026 123.6224 54.7277 34.1079 175.7852 78 V 4.1245 8.2846 125.9761 61.1216 33.4931 173.9840 79 Y 4.8441 8.6540 125.0288 56.1980 41.4231 174.4865 80 M 4.8378 8.5296 122.4526 55.4906 33.3937 175.3790 81 V 4.7164 8.8440 118.4182 60.1134 37.0815 173.9491 82 D 4.6769 8.3574 121.4046 51.9167 41.3330 177.2394 83 K 2.7767 8.1972 118.8727 59.4381 31.7445 178.1769 84 D 4.2634 8.5196 119.4200 57.4126 40.7515 178.8172 85 Q 3.9140 7.8627 117.8470 58.8027 28.5708 178.4220 86 A 4.0102 7.4494 120.4209 55.2783 18.4730 179.0804 87 D 4.4271 7.8329 116.3428 57.2538 41.0137 178.5251 88 R 4.1772 7.6235 115.9871 55.4732 31.8134 175.4885 89 C 4.2800 8.1066 116.7762 58.3719 38.0729 171.6000 90 T 5.2488 7.3195 107.1497 59.9815 72.3952 174.9224 91 I 4.4656 8.2967 122.2491 59.3526 40.8641 175.7549 92 K 4.3640 8.4794 124.7428 55.4788 33.0038 178.5585 93 K 4.0010 8.6849 122.0246 59.3143 32.7896 177.6443 94 E 4.3177 7.9274 115.2411 56.3891 30.3348 176.2497 95 N 4.4830 7.6301 117.5834 53.7313 39.0941 174.4524 96 T 4.5486 8.3083 118.0789 60.7689 70.5593 172.3448 97 P 3.4445 0.0000 0.0000 62.0760 31.6723 175.8907 98 L 3.5405 8.2039 123.9278 56.9984 42.1371 177.6303 99 L 4.5476 7.6640 119.7448 53.2220 45.5317 175.0277 100 N 4.7130 8.7410 124.8722 51.6165 39.1210 174.5552 101 C 4.7545 9.2605 126.8133 55.3344 38.2664 173.7924 102 A 4.6184 7.9664 119.9835 52.0549 20.4961 178.0242 103 K 4.5133 7.4017 115.5082 53.4150 32.5446 174.8311 104 P 4.6101 0.0000 0.0000 63.7635 31.8983 178.5217 105 D 4.8078 7.8606 116.7633 53.4446 40.1212 175.8077 106 Q 4.5632 7.4711 120.9194 54.1421 31.0219 174.5294 107 D 4.6422 8.4934 122.7375 54.0791 41.1640 175.9997 108 I 4.7544 8.0033 124.5233 59.5110 41.1821 174.4872 109 K 4.9685 8.3856 124.7020 55.4331 35.3304 174.1887 110 F 4.5855 9.1040 128.1007 56.7050 42.2736 173.7010 111 T 4.9143 7.9993 123.2922 62.2731 69.3758 174.3443 112 I 4.1292 8.9123 129.0796 60.3577 38.7795 174.9876 113 K 4.5768 8.3613 127.8610 54.4219 33.7991 176.9107 114 F 4.3235 9.1369 130.0940 56.2848 37.0783 174.5352 115 Q 4.9119 8.0660 119.5770 54.7756 31.1969 177.7235 116 E 4.4583 8.8295 118.8867 56.9410 30.2298 176.4487 117 F 4.7730 7.8573 115.4906 55.3309 40.9005 173.8754 118 S 4.5416 9.2018 121.5895 57.2410 62.6366 172.8678 119 P 4.3774 0.0000 0.0000 64.1160 31.8242 175.5905 120 N 4.6841 8.1022 118.6334 51.5063 39.8308 175.3150 121 L 3.9246 8.4778 127.6315 57.4811 42.2023 177.4473 122 W 4.9901 8.3915 115.9434 56.3126 29.2291 176.1527 123 G 4.0339 7.6602 108.0692 44.4352 0.0000 173.8709 124 L 4.2229 8.1736 119.6192 53.9834 42.5653 176.4496 125 E 4.8738 8.0488 121.0404 54.5626 32.8096 175.1614 126 F 4.9965 9.2883 121.2168 55.6373 43.6040 173.8641 127 Q 4.9701 9.0039 117.5058 54.0591 32.0713 175.2636 128 K 4.4088 8.8107 119.7132 57.8126 32.6739 176.2660 129 N 4.3309 8.7980 117.0916 54.2525 36.8249 174.2410 130 K 4.7300 7.6663 115.6341 54.7378 35.8775 174.9411 131 D 5.1194 8.4727 123.0375 53.1740 43.2344 175.0783 132 Y 4.9111 8.9228 119.5991 56.4855 42.4282 174.1636 133 Y 5.3667 8.7282 117.1673 56.5941 42.5370 174.2752 134 I 5.2468 9.3330 125.0342 59.6145 40.5911 174.7733 135 I 5.3223 8.9829 119.1008 59.7395 42.2072 173.9426 136 S 5.1556 8.7122 114.6607 57.3844 65.3984 173.8878 137 T 4.9749 8.7142 115.9096 60.9414 70.2141 174.6559 138 S 4.6680 7.9802 119.4781 59.2276 63.8270 174.4998 139 N 4.7192 8.8431 119.1131 52.9941 37.8065 175.7396 140 G 3.6065 8.5474 108.7393 45.4842 0.0000 173.6321 141 S 5.0007 8.3948 114.6994 56.1491 65.2870 175.1136 142 L 3.1065 8.1002 122.4837 57.7893 41.7773 178.8957 143 E 3.8934 8.0356 114.8884 58.3451 30.1725 177.4252 144 G 4.0449 7.5972 106.6054 44.6458 0.0000 175.1163 145 L 3.9725 7.4993 123.4188 57.6441 42.0525 177.5859 146 D 4.6959 7.9210 115.2250 53.9496 41.5250 175.9725 147 N 4.0901 7.7383 116.9812 53.9797 38.8979 175.7075 148 Q 4.0873 8.7820 121.9441 57.5394 29.4735 175.2538 149 E 5.1391 7.7211 113.6381 55.9102 33.8351 178.0852 150 G 3.9635 8.8252 111.7607 44.9255 0.0000 177.1939 151 G 4.0524 8.5331 114.7144 46.7138 0.0000 176.1699 152 V 4.1314 8.7108 114.3537 61.9435 32.4756 177.5833 153 C 4.3586 8.3897 120.7777 59.7391 43.7211 175.4293 154 Q 4.0277 8.1119 119.1051 59.4175 29.1489 177.0580 155 T 4.0671 8.1796 108.0759 64.3640 69.0970 176.2032 156 R 4.3836 7.9192 117.1695 54.4927 30.4817 175.6183 157 A 3.9079 7.8236 118.2663 52.3416 14.7801 178.4712 158 M 2.8938 7.6658 120.5473 56.2114 31.5145 175.0099 159 K 4.8764 7.9973 123.7105 55.5507 36.0778 173.7740 160 I 4.8179 9.5829 129.8396 59.8129 39.2115 174.3854 161 L 4.6059 8.7977 130.2858 53.7993 43.8818 174.9467 162 M 4.6737 9.0101 126.4678 53.7515 34.4480 175.2256 163 K 4.7165 8.5618 125.8470 54.1350 32.3485 175.3636 164 V 3.6208 8.4043 125.6015 63.0276 32.6460 176.3920 165 G 3.9365 9.0146 116.1705 46.3272 0.0000 172.6449 166 Q 4.7659 7.7420 118.3951 53.2026 31.8413 175.4301 167 D 4.4435 8.5737 117.2031 54.0301 39.5745 176.1198 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 28 I 7.88 4.17 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.91 0.00 0.00 29 V 8.18 4.19 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 0.79 0.00 0.00 0.94 0.00 0.00 30 L 8.80 4.40 0.00 1.61 1.60 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.56 4.14 0.00 1.99 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 2.33 2.39 0.00 32 P 0.00 4.55 0.00 1.79 1.83 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 33 I 8.59 4.39 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 1.05 0.00 0.00 34 Y 8.77 4.65 0.00 2.87 3.19 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 35 W 9.32 4.64 0.00 3.47 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 36 N 8.15 5.32 0.00 2.79 2.98 0.00 0.00 6.35 7.64 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 37 S 9.04 4.22 0.00 4.09 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 38 S 7.81 4.53 0.00 4.01 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 39 N 7.53 4.69 0.00 2.82 2.91 0.00 0.00 7.08 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 40 S 8.49 4.42 0.00 3.89 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 41 K 7.18 3.75 0.00 1.17 1.44 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.24 7.81 42 F 6.83 4.62 0.00 2.98 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 43 L 8.16 4.17 0.00 1.73 1.61 0.93 1.06 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 44 P 0.00 4.20 0.00 2.05 2.15 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 45 G 7.52 3.64 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 0.00 0.00 0.00 0.00 46 Q 7.55 4.45 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 47 G 8.09 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 0.00 0.00 0.00 48 L 8.08 4.23 0.00 1.47 1.52 0.80 1.03 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 49 V 8.31 4.75 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 0.56 0.00 0.00 0.90 0.00 0.00 50 L 8.70 4.82 0.00 1.43 1.37 0.93 0.75 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 51 Y 8.20 4.96 0.00 2.72 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 52 P 0.00 4.22 0.00 0.61 1.16 0.00 3.14 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.55 0.00 53 Q 9.19 4.79 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 54 I 8.18 4.16 1.92 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 1.39 0.80 1.04 0.00 0.00 55 G 9.24 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 0.00 0.00 0.00 0.00 56 D 8.49 5.21 0.00 2.69 2.64 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 0.00 57 K 8.57 5.24 0.00 1.84 1.87 0.00 1.46 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 58 L 8.87 4.97 0.00 1.97 1.70 1.00 1.56 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 59 D 8.80 5.34 0.00 2.58 2.50 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 60 I 8.84 4.91 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 1.05 0.00 0.00 61 I 8.39 4.89 1.40 0.00 0.00 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 1.04 0.43 0.97 0.00 0.00 62 C 8.85 5.04 0.00 2.92 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 63 P 0.00 4.66 0.00 2.25 2.40 0.00 3.86 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 64 K 8.83 5.05 0.00 1.81 1.79 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.62 7.81 65 V 8.73 4.49 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 0.97 0.00 0.00 0.94 0.00 0.00 66 D 8.83 4.50 0.00 2.71 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 *71 G 8.33 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 72 Q 8.65 4.14 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 73 Y 8.26 4.51 0.00 3.16 2.53 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 74 E 8.46 4.92 0.00 2.00 1.82 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 2.27 2.36 0.00 75 Y 8.07 5.01 0.00 2.87 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 76 Y 8.49 5.10 0.00 2.92 2.72 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 77 K 8.80 4.81 0.00 1.77 1.58 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.37 7.81 78 V 8.28 4.12 1.48 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 -0.14 0.00 0.00 -0.27 0.00 0.00 79 Y 8.65 4.84 0.00 2.89 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 80 M 8.53 4.84 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.71 0.00 81 V 8.84 4.72 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 0.75 0.00 0.00 1.00 0.00 0.00 82 D 8.36 4.68 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 83 K 8.20 2.78 0.00 1.56 1.65 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.31 7.81 84 D 8.52 4.26 0.00 2.74 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 85 Q 7.86 3.91 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 86 A 7.45 4.01 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.83 4.43 0.00 2.75 2.72 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 88 R 7.62 4.18 0.00 1.69 1.94 0.00 3.27 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 89 C 8.11 4.28 0.00 3.13 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 90 T 7.32 5.25 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 1.20 0.00 0.00 91 I 8.30 4.47 1.57 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 -0.03 0.00 0.00 92 K 8.48 4.36 0.00 1.79 1.81 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.56 7.81 93 K 8.68 4.00 0.00 1.84 1.91 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 94 E 7.93 4.32 0.00 2.07 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 2.21 2.24 0.00 95 N 7.63 4.48 0.00 2.85 2.76 0.00 0.00 6.74 6.93 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 96 T 8.31 4.55 4.21 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 1.14 0.00 0.00 97 P 0.00 3.44 0.00 1.82 0.94 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 98 L 8.20 3.54 0.00 1.16 0.80 0.63 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.66 4.55 0.00 1.47 1.15 1.06 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.74 4.71 0.00 2.62 2.64 0.00 0.00 7.16 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 0.00 101 C 9.26 4.75 0.00 3.19 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 0.00 102 A 7.97 4.62 1.32 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 0.00 0.00 0.00 103 K 7.40 4.51 0.00 1.76 1.68 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.38 7.81 104 P 0.00 4.61 0.00 2.26 2.07 0.00 3.66 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.08 0.00 105 D 7.86 4.81 0.00 2.85 2.88 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 0.00 106 Q 7.47 4.56 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 107 D 8.49 4.64 0.00 2.73 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 0.00 108 I 8.00 4.75 1.89 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 1.24 0.82 0.92 0.00 0.00 109 K 8.39 4.97 0.00 1.71 1.60 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.37 7.81 110 F 9.10 4.59 0.00 3.11 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 0.00 111 T 8.00 4.91 4.05 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 1.17 0.00 0.00 112 I 8.91 4.13 1.55 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 1.28 0.85 -0.06 0.00 0.00 113 K 8.36 4.58 0.00 1.67 1.66 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.52 7.81 114 F 9.14 4.32 0.00 2.93 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 0.00 115 Q 8.07 4.91 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 116 E 8.83 4.46 0.00 2.01 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 2.39 2.32 0.00 117 F 7.86 4.77 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 0.00 118 S 9.20 4.54 0.00 3.83 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 0.00 119 P 0.00 4.38 0.00 2.07 2.09 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 120 N 8.10 4.68 0.00 2.71 2.75 0.00 0.00 6.65 6.08 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 0.00 121 L 8.48 3.92 0.00 1.40 1.17 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 122 W 8.39 4.99 0.00 3.53 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 0.00 123 G 7.66 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 0.00 124 L 8.17 4.22 0.00 1.66 1.14 1.12 0.77 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 0.00 125 E 8.05 4.87 0.00 1.65 1.65 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 2.12 2.23 0.00 126 F 9.29 5.00 0.00 2.93 2.72 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 0.00 127 Q 9.00 4.97 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 128 K 8.81 4.41 0.00 1.82 1.84 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.52 7.81 129 N 8.80 4.33 0.00 2.89 2.92 0.00 0.00 6.74 7.21 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 0.00 130 K 7.67 4.73 0.00 2.16 1.51 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.43 7.81 131 D 8.47 5.12 0.00 2.54 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 0.00 0.00 0.00 0.00 132 Y 8.92 4.91 0.00 3.01 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 0.00 133 Y 8.73 5.37 0.00 3.16 2.88 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 0.00 134 I 9.33 5.25 2.17 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 1.46 1.25 0.89 0.00 0.00 135 I 8.98 5.32 2.01 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 1.21 1.04 1.06 0.00 0.00 136 S 8.71 5.16 0.00 3.87 4.20 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 0.00 137 T 8.71 4.97 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 1.26 0.00 0.00 138 S 7.98 4.67 0.00 4.05 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 0.00 139 N 8.84 4.72 0.00 2.76 2.96 0.00 0.00 6.35 7.00 0.00 0.00 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 G 8.55 3.61 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 0.00 0.00 0.00 141 S 8.39 5.00 0.00 3.97 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 0.00 142 L 8.10 3.11 0.00 0.76 1.33 0.22 0.57 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 0.00 143 E 8.04 3.89 0.00 2.07 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 2.23 2.22 0.00 144 G 7.60 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 0.00 145 L 7.50 3.97 0.00 1.62 1.73 0.98 1.19 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 0.00 146 D 7.92 4.70 0.00 2.70 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 0.00 147 N 7.74 4.09 0.00 3.07 2.86 0.00 0.00 6.92 6.73 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 0.00 148 Q 8.78 4.09 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 149 E 7.72 5.14 0.00 2.15 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 2.17 2.23 0.00 150 G 8.83 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 0.00 151 G 8.53 4.05 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 0.00 0.00 0.00 152 V 8.71 4.13 2.04 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 1.20 0.00 0.00 1.25 0.00 0.00 153 C 8.39 4.36 0.00 3.24 3.31 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 0.00 154 Q 8.11 4.03 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 155 T 8.18 4.07 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 1.30 0.00 0.00 156 R 7.92 4.38 0.00 1.82 1.90 0.00 3.41 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 157 A 7.82 3.91 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 0.00 158 M 7.67 2.89 0.00 0.52 1.67 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.34 0.00 159 K 8.00 4.88 0.00 1.84 1.80 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.64 7.81 160 I 9.58 4.82 2.12 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 1.01 0.00 0.00 161 L 8.80 4.61 0.00 1.66 1.41 0.15 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 162 M 9.01 4.67 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 163 K 8.56 4.72 0.00 1.28 1.64 0.00 1.47 0.00 0.00 1.47 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 0.71 7.81 164 V 8.40 3.62 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 0.92 0.00 0.00 0.91 0.00 0.00 165 G 9.01 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 0.00 0.00 0.00 166 Q 7.74 4.77 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 167 D 8.57 4.44 0.00 2.69 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 * Residues marked with a * may have inaccurate shift predictions.