NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7027 8.3393 109.7261 45.3775 0.0000 175.6782 *2 S 4.4146 8.3277 120.8088 57.8704 65.1036 173.8141 3 D 4.4705 8.6513 121.5518 57.9048 40.4446 179.3798 4 T 3.9260 7.9505 115.8005 66.6172 68.5907 176.7244 5 V 3.7364 7.9947 120.1589 65.9214 31.4838 177.7702 6 L 3.8599 8.3839 118.8323 58.3747 41.5431 179.7017 7 T 4.0499 8.4014 115.7699 66.7735 68.4495 177.0034 8 G 3.6861 8.3904 107.5588 47.5808 0.0000 175.5383 9 L 4.0300 8.0613 122.6928 57.8349 42.1231 178.7852 10 L 3.5252 7.5419 120.5438 57.9187 41.9235 178.4247 11 D 4.4340 8.1194 118.9016 57.8330 40.7265 179.0833 12 T 3.7915 7.8464 116.0058 66.4811 68.4529 176.6579 13 V 3.0918 7.4242 120.0936 65.8814 31.3866 178.2306 14 W 3.9497 7.7527 118.3723 59.4972 28.7413 178.3894 15 Q 3.9955 8.2525 119.8054 59.1928 28.3760 178.3508 16 Q 3.8911 8.0675 119.2331 58.7947 28.4903 178.4981 17 F 4.4581 7.6793 118.0052 60.4799 39.3211 177.4974 18 G 3.9060 8.3634 105.2934 48.1426 0.0000 175.6177 19 R 3.9928 8.3109 121.7079 58.9019 29.9704 179.3001 20 G 3.6686 8.1422 105.6453 48.0554 0.0000 175.7268 21 T 3.9879 7.6084 110.6574 63.9725 68.9977 176.3533 22 K 4.4588 7.8106 119.5369 55.9743 33.0563 175.6297 23 D 4.8044 8.0664 119.4053 52.0367 42.0381 176.5875 24 R 3.9519 8.6365 126.7328 59.1147 30.1591 177.4548 25 H 4.7521 8.2995 112.7470 55.8917 29.5390 174.6387 26 H 4.5278 8.0868 121.1814 54.5333 30.7043 174.1726 27 P 4.2486 0.0000 0.0000 65.7267 31.2813 177.9637 28 A 4.3298 8.2127 118.5309 53.5324 18.8078 178.1739 29 R 4.3783 8.2000 116.3799 58.4197 30.7603 175.6174 30 H 5.7847 7.7755 112.7745 52.8163 27.9909 171.3015 31 P 4.7606 0.0000 0.0000 62.7508 33.8864 176.4496 32 T 4.9735 8.7957 117.7203 61.9431 70.9792 173.5592 33 L 4.9851 8.9509 128.7339 53.2692 44.4390 174.6840 34 A 5.3117 9.1667 128.6868 50.7064 21.4016 175.7535 35 T 4.9145 8.8713 111.2099 59.7369 73.1971 172.8648 36 I 4.2240 8.3185 122.8153 60.6222 37.6445 176.3214 37 G 3.6713 8.3421 120.2094 44.6251 0.0000 172.7869 38 T 4.0215 8.3373 108.5787 64.4155 69.5198 174.6763 39 D 4.5337 7.7678 120.0296 50.9571 41.6232 172.7250 40 G 3.7952 8.0322 109.0179 42.9621 0.0000 168.7575 41 P 4.9140 0.0000 0.0000 62.9201 32.2687 175.3138 42 D 5.0159 9.0362 119.6024 52.8704 45.0206 173.8735 43 L 5.3324 8.2598 122.5694 54.9529 43.8466 174.5682 44 R 4.5880 8.3419 114.5626 55.6048 33.1571 173.9242 45 T 4.6774 8.4295 117.0878 63.5682 69.4023 174.0773 46 L 4.9057 8.5802 124.5583 52.7252 46.4896 175.4774 47 V 4.5185 8.3812 120.4849 61.9033 32.3301 175.1607 48 L 3.8367 9.0199 131.7366 55.5464 41.6478 176.4989 49 R 4.3597 8.4893 126.0894 58.1473 31.3619 176.6834 50 A 4.6443 7.3312 117.3439 51.0025 22.6854 175.1703 51 A 5.0002 8.2995 120.1623 50.5079 22.7640 175.9726 52 S 4.2672 9.4211 116.6747 56.5850 64.7291 174.0463 53 H 2.0000 8.5151 127.8691 58.2806 29.8156 177.2659 54 A 3.7282 7.5765 120.5614 54.9292 18.2302 177.8403 55 E 4.1333 8.0785 112.0802 55.8642 30.6321 176.0332 56 A 3.8353 7.2935 122.5155 53.5495 16.7872 176.0535 57 T 5.8022 7.9831 111.2092 58.4910 73.1572 174.8369 58 L 4.9720 8.3169 121.9688 52.8386 45.5922 174.8184 59 E 4.9215 8.3791 122.7902 54.3608 32.7267 174.6044 60 F 5.2142 9.0738 124.2353 56.0199 43.4311 173.4146 61 H 5.4980 8.8765 117.3859 54.8023 31.3920 173.4504 62 T 4.8372 8.8925 115.8584 61.2354 71.9428 171.3024 63 D 5.4301 8.7385 123.1542 52.9256 41.8166 176.8637 64 A 3.9035 9.1430 130.0796 55.1229 18.4777 177.8824 65 A 4.3552 8.2889 116.5840 52.6577 19.2212 177.8480 66 S 4.4460 8.0444 111.9111 56.9432 64.1367 173.7459 67 P 4.1909 0.0000 0.0000 65.5596 30.9612 178.9919 68 K 3.6994 7.9530 117.2927 59.9670 32.1765 179.2660 69 V 3.5516 7.6004 119.2498 65.6925 31.3480 177.8418 70 A 3.9960 7.9359 120.0767 55.3947 18.1718 178.9866 71 H 4.1912 8.4115 114.8994 59.4256 28.6372 178.1695 72 I 4.2902 7.5123 121.2564 63.7280 36.9462 178.2773 73 R 4.0767 8.1365 118.7946 59.4321 29.9855 178.8214 74 R 4.4368 7.6566 116.5727 57.3469 30.6051 176.4025 75 D 4.3828 8.2650 118.8372 52.9199 43.0099 175.0982 76 A 4.3052 8.6104 129.1422 53.7216 19.6543 176.7759 77 R 4.5301 8.0549 115.7489 56.1959 30.6659 176.6278 78 V 4.8433 9.0436 116.3610 59.5990 36.8321 174.2216 79 A 5.3062 8.7625 122.2345 50.4144 22.7978 175.1948 80 I 5.0784 8.9824 120.6680 59.8003 41.1188 174.2600 81 H 5.4844 9.3433 125.2699 54.6406 33.6680 172.0648 82 I 4.9109 8.5659 124.3758 59.4001 41.7058 173.6757 83 W 5.2444 8.9607 135.0000 56.0336 32.3939 175.8038 84 I 4.0887 8.3750 129.2575 58.0070 36.7120 174.2685 85 P 3.0423 0.0000 0.0000 64.9973 31.4727 179.9221 86 K 3.8315 7.6293 116.7469 58.3553 32.0596 177.2894 87 A 4.3569 7.6846 118.8774 51.1071 19.8545 176.4647 88 S 3.7972 7.6041 112.3570 59.8686 61.3212 171.9702 89 L 5.3540 7.7659 118.3673 53.0362 45.5429 176.6539 90 Q 5.3047 9.2952 124.9814 54.4070 31.7603 174.1004 91 V 4.8065 8.9176 126.3381 61.1426 34.4796 174.1700 92 R 5.3139 9.0863 126.4908 54.3716 33.1762 174.4906 93 A 5.2682 9.1025 125.6245 49.9768 22.4023 174.5216 94 K 4.7954 9.0222 123.5966 55.4780 34.0581 175.3729 95 A 5.2595 8.8946 127.2359 50.9027 23.5947 174.4871 96 I 4.8176 8.5528 119.8059 59.7596 39.3721 174.9401 97 A 5.0695 8.8230 129.4661 50.7433 20.1920 176.4306 98 K 4.6202 9.2506 122.3614 54.6341 35.2160 175.3886 99 I 4.8169 8.3476 125.0156 59.9921 38.3795 175.0028 100 L 4.9044 8.6548 126.8744 51.7724 45.6536 174.5216 101 P 4.4601 0.0000 0.0000 62.6243 31.8450 176.7881 102 G 3.3209 8.3816 111.0693 45.6150 0.0000 172.9319 103 D 4.6024 8.4969 120.5995 53.0609 41.3960 175.3883 104 P 4.5339 0.0000 0.0000 65.5813 31.0731 178.0020 105 N 4.4572 9.0724 116.6256 55.8638 38.7870 176.7537 106 L 4.1168 8.1168 121.5123 58.0697 42.3601 178.4573 107 F 3.5336 8.3528 120.4209 61.2090 39.0055 176.9451 108 A 3.9444 7.9945 119.1435 54.6996 18.2279 178.7012 109 Q 4.1850 7.5422 114.1325 55.5892 29.6369 176.3159 110 L 4.1153 6.7922 120.2473 53.3827 42.4550 175.7516 111 P 4.3731 0.0000 0.0000 62.7898 33.0765 177.6469 112 E 3.8800 8.5378 118.4187 59.1945 29.4659 179.1566 113 A 4.0970 7.9038 119.8876 55.0112 18.5590 179.0126 114 A 4.1889 7.8143 117.9153 54.8638 19.1614 181.0369 115 R 4.0865 8.1074 118.8188 55.9793 29.9037 178.3768 *117 N 4.4722 8.1811 116.3332 53.0149 40.4908 175.0600 118 Y 4.8332 8.2918 116.2863 57.9846 39.2615 175.0355 119 Q 4.6703 7.7959 117.8219 53.8843 32.8697 178.6122 120 G 3.8632 8.4843 101.2657 45.9694 0.0000 171.3231 121 P 4.9161 0.0000 0.0000 61.2397 32.3699 176.1406 122 V 3.6953 8.1329 119.5588 62.1380 31.8369 173.6492 123 P 4.3893 0.0000 0.0000 64.3737 31.5918 176.7881 124 G 3.9784 8.8690 110.5240 45.4882 0.0000 173.7339 125 T 4.0864 7.4251 117.1154 62.3158 68.9893 172.8794 126 P 4.3228 0.0000 0.0000 62.8043 31.9660 176.2094 127 L 4.4387 8.2069 122.2080 53.4122 42.6076 175.0204 128 P 4.4471 0.0000 0.0000 62.3608 32.2349 175.4665 129 A 4.7043 8.1573 123.1086 49.8953 21.2870 175.6766 130 E 4.0746 8.6075 123.5957 55.0765 30.4488 174.4243 131 P 4.4563 0.0000 0.0000 63.0709 31.9381 175.1019 132 D 4.6289 8.7375 122.8013 53.3649 42.0318 175.7235 133 A 4.5941 8.4220 127.9674 52.1224 19.2040 176.9543 134 T 3.9390 8.0835 115.7656 64.1138 68.8292 172.9612 135 P 4.3223 0.0000 0.0000 63.4792 32.3215 175.4697 136 N 4.0821 8.4917 115.3053 54.7323 35.7055 175.7468 137 R 4.1150 7.6275 117.7075 58.7410 32.1444 177.6381 138 F 4.3739 8.0188 121.9873 58.7521 40.1846 174.1584 139 T 4.8549 8.3281 122.2047 61.7217 72.8207 173.0940 140 R 4.7449 8.9938 123.5900 54.4707 32.7383 175.0549 141 L 4.9233 9.3484 126.5927 53.7083 44.0036 174.8563 142 I 4.6482 8.8186 128.9948 59.9936 39.3250 174.8218 143 C 5.0608 9.1796 126.2913 58.5370 29.9663 173.3145 144 H 4.9346 9.3078 123.8045 54.6694 28.8222 174.9906 145 L 4.9004 8.9170 124.8804 54.8923 41.7762 177.4620 146 S 4.7869 9.5968 117.4335 58.8871 66.0210 173.5371 147 E 5.3956 8.2681 120.0001 54.7795 33.3991 173.7604 148 I 5.1678 9.6896 126.7312 59.6129 41.0416 173.7307 149 D 5.3700 9.6555 127.3325 52.6768 43.3355 174.6557 150 V 4.8567 9.0716 127.2614 61.0420 34.1389 173.8106 151 L 5.0536 8.8962 130.2074 53.6667 44.4350 174.2094 152 H 5.2728 9.4399 127.3413 54.0265 31.4220 174.8408 153 L 4.1783 8.7131 131.4911 54.3898 40.3090 176.5243 154 T 3.9245 7.6046 109.0533 62.0888 69.7142 173.6391 155 T 4.3570 8.1409 118.2759 61.3281 68.6793 172.9150 156 P 4.6764 0.0000 0.0000 61.4127 33.1551 175.3542 157 H 4.7844 8.5299 115.3743 56.1974 29.2881 175.2560 158 Q 4.8309 8.9088 118.6499 54.6541 32.3441 174.1631 159 R 5.4059 8.7004 119.2978 55.1253 33.9305 173.4091 160 A 5.0405 9.3997 126.7589 50.1073 23.3008 174.7782 161 V 4.8250 8.1286 119.1489 61.2624 34.8094 174.0685 162 Y 5.2209 9.4000 125.1539 56.6092 41.7006 174.8137 163 T 4.8208 8.2957 117.8161 61.2935 72.8074 173.4173 164 A 2.8811 7.2529 128.0816 51.1785 18.7116 175.7797 165 P 4.3875 0.0000 0.0000 62.9640 32.4129 176.3521 166 D 4.5402 7.8025 117.9465 53.3513 40.1743 176.3700 167 W 3.9492 7.7346 117.9683 57.6807 27.3346 176.1663 168 R 4.0647 8.3738 118.5019 58.1771 29.8966 178.6441 169 G 3.5405 8.9247 102.2735 45.1750 0.0000 172.2872 170 I 4.4946 7.6102 112.9312 58.4299 41.3916 174.3413 171 W 5.0514 8.5374 123.6603 56.7423 29.8496 175.9594 172 V 4.6895 8.7853 116.4506 59.2049 35.4843 175.4413 173 S 4.2554 8.6503 116.9520 57.4467 62.9461 172.3409 174 P 4.4866 0.0000 0.0000 63.1249 31.0305 176.0913 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 0 G 8.34 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 0.00 0.00 0.00 *2 S 8.33 4.41 0.00 4.18 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 3 D 8.65 4.47 0.00 2.86 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 4 T 7.95 3.93 4.32 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 1.27 0.00 0.00 5 V 7.99 3.74 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 1.43 0.00 0.00 1.04 0.00 0.00 6 L 8.38 3.86 0.00 1.96 1.70 0.61 -1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.40 4.05 4.42 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 1.30 0.00 0.00 8 G 8.39 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 9 L 8.06 4.03 0.00 2.06 1.99 0.93 0.57 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 10 L 7.54 3.53 0.00 0.51 1.45 0.38 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.12 4.43 0.00 2.90 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 12 T 7.85 3.79 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 1.11 0.00 0.00 13 V 7.42 3.09 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 -0.03 0.00 0.00 0.72 0.00 0.00 14 W 7.75 3.95 0.00 3.24 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 15 Q 8.25 4.00 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 16 Q 8.07 3.89 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 17 F 7.68 4.46 0.00 3.10 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 18 G 8.36 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 19 R 8.31 3.99 0.00 1.62 1.77 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 20 G 8.14 3.67 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 0.00 0.00 0.00 21 T 7.61 3.99 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 1.21 0.00 0.00 22 K 7.81 4.46 0.00 1.72 1.89 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.41 7.81 23 D 8.07 4.80 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 3.95 0.00 1.69 1.90 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 25 H 8.30 4.75 0.00 3.28 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.09 4.53 0.00 3.35 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.25 0.00 2.13 2.04 0.00 3.20 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 28 A 8.21 4.33 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 29 R 8.20 4.38 0.00 2.11 2.04 0.00 3.05 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.09 0.00 30 H 7.78 5.78 0.00 3.08 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.76 0.00 2.18 2.11 0.00 3.99 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 32 T 8.80 4.97 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 1.21 0.00 0.00 33 L 8.95 4.99 0.00 1.33 1.29 0.90 1.02 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 34 A 9.17 5.31 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 35 T 8.87 4.91 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 1.24 0.00 0.00 36 I 8.32 4.22 1.85 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 1.27 0.56 0.88 0.00 0.00 37 G 8.34 3.67 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 0.00 0.00 0.00 38 T 8.34 4.02 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 1.22 0.00 0.00 39 D 7.77 4.53 0.00 2.57 2.55 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 40 G 8.03 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.91 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 42 D 9.04 5.02 0.00 2.68 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 43 L 8.26 5.33 0.00 1.71 1.55 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.34 4.59 0.00 1.84 2.00 0.00 3.04 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 45 T 8.43 4.68 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 1.24 0.00 0.00 46 L 8.58 4.91 0.00 1.18 1.49 0.22 0.53 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 47 V 8.38 4.52 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 0.79 0.00 0.00 1.07 0.00 0.00 48 L 9.02 3.84 0.00 1.70 1.56 0.42 0.91 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 49 R 8.49 4.36 0.00 1.62 1.78 0.00 3.38 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.17 0.00 50 A 7.33 4.64 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 0.00 0.00 0.00 0.00 0.00 51 A 8.30 5.00 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 52 S 9.42 4.27 0.00 3.74 3.62 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 53 H 8.52 2.00 0.00 2.45 2.72 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.58 3.73 1.14 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 55 E 8.08 4.13 0.00 1.92 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 2.24 2.36 0.00 56 A 7.29 3.84 1.47 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 0.00 0.00 0.00 57 T 7.98 5.80 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 1.13 0.00 0.00 58 L 8.32 4.97 0.00 1.35 1.00 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.38 4.92 0.00 1.86 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 2.06 2.18 0.00 60 F 9.07 5.21 0.00 2.98 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 61 H 8.88 5.50 0.00 3.23 3.26 0.00 5.72 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 62 T 8.89 4.84 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 63 D 8.74 5.43 0.00 2.97 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 64 A 9.14 3.90 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 65 A 8.29 4.36 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 66 S 8.04 4.45 0.00 3.99 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 67 P 0.00 4.19 0.00 2.08 2.09 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 68 K 7.95 3.70 0.00 1.93 2.01 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 69 V 7.60 3.55 2.23 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 1.10 0.00 0.00 0.97 0.00 0.00 70 A 7.94 4.00 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 71 H 8.41 4.19 0.00 3.36 3.47 0.00 5.64 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 72 I 7.51 4.29 2.00 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 1.56 1.69 0.94 0.00 0.00 73 R 8.14 4.08 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 74 R 7.66 4.44 0.00 2.12 1.99 0.00 3.27 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 75 D 8.26 4.38 0.00 2.61 2.49 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 0.00 76 A 8.61 4.31 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 4.53 0.00 1.86 1.92 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 78 V 9.04 4.84 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 0.79 0.00 0.00 0.98 0.00 0.00 79 A 8.76 5.31 1.23 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 80 I 8.98 5.08 1.93 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 1.25 0.65 1.07 0.00 0.00 81 H 9.34 5.48 0.00 3.19 3.11 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.57 4.91 1.90 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.96 0.00 0.00 83 W 8.96 5.24 0.00 3.30 3.02 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 84 I 8.37 4.09 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.69 0.00 0.00 85 P 0.00 3.04 0.00 1.93 1.88 0.00 3.11 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 86 K 7.63 3.83 0.00 1.87 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.01 7.81 87 A 7.68 4.36 1.15 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 0.00 0.00 88 S 7.60 3.80 0.00 4.11 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 89 L 7.77 5.35 0.00 1.51 1.50 0.79 0.76 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 124 G 8.87 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 0.00 0.00 0.00 125 T 7.43 4.09 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 0.00 126 P 0.00 4.32 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 127 L 8.21 4.44 0.00 1.63 1.59 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.45 0.00 2.18 2.04 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 129 A 8.16 4.70 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 0.00 130 E 8.61 4.07 0.00 2.06 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 2.38 2.40 0.00 131 P 0.00 4.46 0.00 2.09 2.00 0.00 3.72 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 2.04 2.09 0.00 132 D 8.74 4.63 0.00 2.62 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 0.00 133 A 8.42 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.08 3.94 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 1.21 0.00 0.00 135 P 0.00 4.32 0.00 2.02 1.97 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 136 N 8.49 4.08 0.00 2.83 2.83 0.00 0.00 7.00 7.66 0.00 0.00 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 R 7.63 4.12 0.00 1.95 2.25 0.00 3.29 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 138 F 8.02 4.37 0.00 2.26 2.48 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 0.00 139 T 8.33 4.85 4.43 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 1.21 0.00 0.00 140 R 8.99 4.74 0.00 1.61 1.76 0.00 2.93 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.21 0.00 141 L 9.35 4.92 0.00 1.75 1.74 0.94 1.11 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 0.00 142 I 8.82 4.65 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.79 0.00 0.00 143 C 9.18 5.06 0.00 2.89 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 0.00 144 H 9.31 4.93 0.00 3.24 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.92 4.90 0.00 1.90 1.91 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 S 9.60 4.79 0.00 3.85 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 0.00 147 E 8.27 5.40 0.00 2.07 1.86 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 2.40 2.53 0.00 148 I 9.69 5.17 2.10 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.91 0.00 0.00 149 D 9.66 5.37 0.00 2.72 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 0.00 150 V 9.07 4.86 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 1.04 0.00 0.00 1.06 0.00 0.00 151 L 8.90 5.05 0.00 1.86 1.57 1.04 0.62 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 0.00 152 H 9.44 5.27 0.00 3.36 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.71 4.18 0.00 1.63 1.63 1.23 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.60 3.92 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 0.89 0.00 0.00 155 T 8.14 4.36 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 0.00 156 P 0.00 4.68 0.00 2.15 2.06 0.00 3.73 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 1.92 1.94 0.00 157 H 8.53 4.78 0.00 3.01 3.33 0.00 5.83 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 8.91 4.83 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 159 R 8.70 5.41 0.00 1.97 2.04 0.00 3.18 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 160 A 9.40 5.04 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 0.00 161 V 8.13 4.82 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 0.98 0.00 0.00 0.93 0.00 0.00 162 Y 9.40 5.22 0.00 3.33 3.22 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 0.00 163 T 8.30 4.82 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 1.03 0.00 0.00 164 A 7.25 2.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.39 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 166 D 7.80 4.54 0.00 2.80 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 0.00 167 W 7.73 3.95 0.00 3.50 3.39 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 0.00 168 R 8.37 4.06 0.00 1.82 2.02 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 169 G 8.92 3.54 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 0.00 170 I 7.61 4.49 1.81 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 1.10 0.78 0.83 0.00 0.00 171 W 8.54 5.05 0.00 3.23 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 0.00 172 V 8.79 4.69 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 0.65 0.00 0.00 1.04 0.00 0.00 173 S 8.65 4.26 0.00 3.85 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 0.00 174 P 0.00 4.49 0.00 2.10 2.03 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.