NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4756 8.0333 117.3439 63.0115 70.5028 173.0466 3 L 3.5003 8.6503 127.1281 53.7270 42.0410 174.9169 4 H 4.0725 9.1157 125.6233 56.9675 30.7354 176.0263 5 K 4.5013 8.5892 126.4072 55.2480 31.4064 172.9485 6 E 4.6182 8.2590 118.4373 59.0001 31.3944 177.8443 7 R 4.5098 7.9236 116.9376 54.9620 28.2661 174.6866 8 R 4.3887 7.9168 123.5479 54.5186 31.8192 174.8599 9 I 3.1381 8.2907 124.9319 63.8488 37.7174 177.6067 10 G 3.4327 7.7705 105.7906 47.8073 0.0000 175.5123 11 R 3.8423 7.7827 121.5892 58.9156 29.9990 178.4787 12 L 3.9321 8.2523 119.3906 57.5586 41.0233 179.5870 13 S 4.0547 7.7118 114.2785 61.0216 63.1232 176.8505 14 V 3.6431 7.5524 121.9332 65.8418 31.2123 177.9912 15 L 3.9642 7.7720 118.6722 57.6323 41.1638 179.3030 16 L 3.8996 7.4093 119.5960 58.0139 42.1049 178.4588 17 L 4.0681 7.3535 118.4884 58.0690 42.1392 178.4953 18 L 4.0225 7.5251 116.7192 55.2996 41.9647 176.9089 19 N 4.5328 7.3812 117.2500 52.9671 39.4442 175.9277 20 E 4.4059 8.5661 128.0753 56.3015 29.6466 176.7671 *29 E 4.5048 7.9391 117.2495 56.0408 32.7392 180.3168 30 L 4.4068 7.8346 119.3270 57.5245 41.9527 179.0321 31 E 4.5472 8.0669 116.0170 57.9706 29.8667 178.2053 32 R 4.0913 7.8928 117.2096 58.8550 30.6401 176.6198 33 D 4.6953 7.8711 117.4268 53.8235 42.6669 176.4168 34 G 3.8239 7.9665 110.1978 46.4073 0.0000 173.4028 35 W 5.2799 7.7938 119.4123 54.9264 31.9194 175.7065 36 K 4.8964 9.3032 123.1523 54.9490 33.4945 175.4470 37 V 5.1209 8.5605 125.1264 61.0806 34.3461 174.3261 38 C 5.0621 8.8068 120.5378 56.5036 33.2160 172.7709 39 L 5.1673 8.3844 119.4661 53.3236 45.1045 175.8111 40 G 3.4509 7.9068 107.7306 44.9168 0.0000 171.7272 41 K 5.2092 8.2731 119.7331 54.2612 35.0264 176.4077 42 V 4.5377 9.4687 124.2240 60.2599 34.9609 173.9348 43 G 4.4384 8.5206 111.4732 44.5587 0.0000 171.5767 44 S 4.7315 8.6167 116.9106 57.7141 66.6431 174.7673 45 M 4.5750 8.5291 118.8676 54.9321 31.7886 174.6721 46 D 5.1358 8.2804 120.4854 52.5114 44.3192 176.8630 47 A 4.0562 8.5399 126.1344 55.1944 18.5760 179.3755 48 H 4.2756 8.1052 113.3575 58.5727 28.6204 177.8847 49 K 3.9744 7.6061 121.0362 58.9426 32.0427 179.2723 50 V 3.4853 7.2774 117.8822 66.0481 31.4818 178.1673 51 I 3.5797 7.6936 119.3164 64.3405 36.9859 178.3613 52 A 4.0073 8.0876 121.4300 55.0251 18.0529 179.5744 53 A 4.0371 8.3260 119.6886 55.0575 18.4183 179.9976 54 I 3.0734 7.2614 118.1550 63.9685 37.2227 178.1269 55 E 3.8970 8.1506 120.1458 59.6974 29.4977 179.0947 56 T 3.9017 7.8781 115.3929 66.6315 68.1195 176.7178 57 A 4.1766 7.9516 122.7157 55.2042 18.2707 179.7724 58 S 4.2559 8.2462 113.6467 61.1389 62.7358 176.6598 59 K 4.2011 7.9275 122.7539 59.0933 32.0950 179.8466 60 K 4.2115 8.3043 124.1907 59.5597 32.0426 180.8601 61 S 4.6943 7.5363 112.8439 57.3365 64.2229 173.9521 62 G 3.8417 8.4427 107.4228 45.9179 0.0000 174.8496 63 V 3.6706 7.7235 119.5841 65.3727 31.6080 175.4625 64 I 4.7428 7.3644 112.7812 58.4895 40.0790 175.3567 65 Q 4.2346 9.0345 120.4799 56.4725 29.1461 176.2385 66 S 4.6551 8.5507 114.9130 58.3288 63.3620 173.8231 67 E 4.6590 7.8110 118.0647 55.3929 32.2833 177.3347 68 G 3.8681 8.8180 108.1398 44.9558 0.0000 171.3617 69 Y 4.7585 8.2944 115.6255 58.4621 41.5589 178.2682 70 R 3.6621 8.2661 119.2050 59.9216 29.8472 177.9573 71 E 4.0674 8.0678 117.0677 59.0357 29.6715 179.2017 72 S 4.1967 7.9712 115.0087 61.4719 62.9477 175.9097 73 H 3.9311 8.3212 121.5070 58.8803 29.4064 177.1890 74 A 4.1491 7.7767 123.8072 54.5193 18.1951 179.2887 75 L 3.9010 7.6758 118.9678 58.3519 42.1270 178.5715 76 Y 4.0355 8.0696 119.3046 61.2620 38.8487 177.8564 77 H 4.1262 8.3090 116.8647 58.5208 28.7255 177.8469 78 A 3.9660 7.8464 122.4030 55.5987 18.2490 179.4981 79 T 3.7640 7.9008 114.2940 67.3098 68.0823 176.4765 80 M 3.8485 7.7743 120.1643 58.5414 31.2347 178.7704 81 E 4.1039 8.3341 118.3340 59.1586 29.5741 179.2576 82 A 4.2480 8.0429 121.1369 55.0025 18.4631 179.5580 83 L 4.0629 8.2320 117.3094 57.6033 41.5816 179.2921 84 H 4.2679 8.0041 116.5747 58.7458 28.3699 177.9192 85 G 3.6562 7.4559 103.5349 47.6642 0.0000 175.7451 86 V 4.3568 7.9136 120.9263 65.2565 31.7703 177.3863 87 T 4.1726 7.9923 107.9031 61.3868 70.7528 174.8076 88 R 3.6966 8.8658 119.1581 54.7539 27.3126 173.6402 89 G 3.8542 7.4924 111.0285 45.0198 0.0000 171.7279 90 E 4.5528 7.7304 120.2410 53.8507 32.5140 177.3107 91 M 4.4032 8.4514 126.8264 54.5155 30.6947 175.2681 92 L 4.8257 7.2558 118.5688 52.9959 46.5446 174.7442 93 L 4.4715 8.0011 118.3725 55.7162 44.8965 178.6868 94 G 3.6552 7.5658 113.7378 48.7190 0.0000 175.7539 95 S 4.2044 8.0656 113.3562 60.2045 62.5924 174.3336 96 L 4.6222 7.5954 118.5710 53.9312 41.8751 175.5639 97 L 3.6459 7.6681 117.8556 56.1495 40.8732 173.8310 98 R 4.9683 8.0918 111.4175 54.4045 32.9261 173.8241 99 T 4.7323 8.8968 113.1869 60.9360 71.6706 172.5159 100 V 4.8482 8.8508 117.7166 59.6392 35.9851 175.5970 101 G 3.8995 8.8115 109.4193 44.5478 0.0000 170.8055 102 L 5.2408 9.1922 126.8300 52.6896 45.1144 175.7506 103 R 5.0474 9.3826 122.6371 54.8370 32.4866 175.4469 104 F 5.6191 9.0181 116.6686 55.1685 41.8780 173.4333 105 A 5.1782 9.1037 121.1124 50.3490 22.9154 175.4518 106 V 5.0862 8.6835 120.5663 60.1694 34.1621 174.3153 107 L 4.9710 8.3533 127.9674 53.6921 43.8630 175.8680 108 R 5.2932 9.9361 121.8381 53.6909 34.0439 175.2355 109 G 4.2536 8.2321 113.5474 45.1464 0.0000 170.2597 110 N 5.3518 8.0589 118.8092 51.8789 39.1231 172.4525 111 P 4.7925 0.0000 0.0000 62.8693 31.9011 174.8351 112 Y 4.9252 7.7813 116.6395 56.3891 40.1553 175.9893 113 E 4.1501 8.5822 121.4256 59.6540 29.8577 178.3623 114 S 4.3884 7.9862 113.7977 57.7416 63.2124 174.4306 115 E 4.2333 8.8039 124.4624 58.2664 30.0142 178.5855 116 A 4.0989 7.5504 122.1899 55.0149 18.5902 178.6575 117 E 4.0411 7.8486 113.9665 57.4876 29.8236 178.5794 118 G 3.9639 7.8002 106.7656 44.5365 0.0000 172.1668 119 D 4.8305 8.4503 118.0539 54.2758 42.1622 175.9638 120 W 4.9598 9.7760 122.1652 54.8887 33.5602 174.0810 121 I 5.2819 9.2787 120.6810 59.3680 41.4604 174.1464 122 A 4.9439 8.8894 129.1247 50.3742 22.0367 175.1580 123 V 4.4906 8.8577 123.7885 62.5542 33.0377 174.9365 124 S 5.4090 9.2032 124.8133 56.7489 65.9755 173.3004 125 L 5.3824 9.3061 123.4411 53.2011 45.1499 174.9861 126 Y 4.6023 9.4654 124.6348 54.6290 42.3867 174.5302 127 G 4.3376 6.6369 113.5604 46.2300 0.0000 172.3843 128 T 4.8722 7.5014 112.9628 59.4320 71.8398 172.8066 129 I 4.8581 8.4404 123.9779 58.9526 40.7579 175.2773 130 G 3.9967 7.9520 113.2281 45.7411 0.0000 172.3365 131 A 4.3516 7.7148 121.9304 51.3500 18.8392 177.2456 132 P 4.1774 0.0000 0.0000 65.1774 31.9038 176.9203 133 I 4.3015 7.3191 119.1783 59.5732 38.3374 175.6398 134 K 4.6654 7.7218 123.0054 56.9491 32.7485 175.6754 135 G 4.2433 8.9442 110.4122 45.8882 0.0000 174.7432 136 L 4.3936 7.1307 120.9246 51.6183 40.3603 175.7601 137 E 5.0254 7.2229 115.1769 55.5686 32.3989 175.1403 138 H 5.2052 8.1048 116.6594 53.3625 32.1862 172.9059 139 E 4.5112 8.7143 117.9422 56.8456 30.3475 176.7331 140 T 4.7912 8.5259 116.6716 60.6127 71.2597 172.5432 141 F 5.6349 8.6113 124.9892 54.0539 43.6732 174.3971 142 G 5.0912 7.9367 108.9567 46.2217 0.0000 172.1241 143 V 5.0516 8.6794 125.4872 61.0017 34.4816 174.7235 144 G 4.2883 9.3410 114.7984 44.4519 0.0000 171.3722 145 I 5.3137 8.5272 124.9327 59.6015 39.7311 174.4488 146 N 5.3039 9.1916 124.1005 52.1024 42.8984 173.0257 147 H 3.4401 8.3842 119.8966 55.0580 29.6133 174.9464 148 I 4.0554 7.6992 120.8554 61.1554 37.7368 174.8132 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 2 T 8.03 4.48 4.51 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 1.22 0.00 0.00 3 L 8.65 3.50 0.00 1.60 1.41 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.12 4.07 0.00 3.25 3.29 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.59 4.50 0.00 1.82 1.67 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 6 E 8.26 4.62 0.00 2.06 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 2.26 2.22 0.00 7 R 7.92 4.51 0.00 2.18 2.26 0.00 2.97 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 8 R 7.92 4.39 0.00 1.79 1.81 0.00 3.06 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 9 I 8.29 3.14 1.90 0.00 0.00 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 1.45 0.84 0.89 0.00 0.00 10 G 7.77 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 0.00 0.00 0.00 11 R 7.78 3.84 0.00 1.82 1.99 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 L 8.25 3.93 0.00 1.30 1.35 0.84 0.76 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 13 S 7.71 4.05 0.00 3.95 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 14 V 7.55 3.64 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 1.09 0.00 0.00 1.04 0.00 0.00 15 L 7.77 3.96 0.00 1.70 1.66 0.88 0.47 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 16 L 7.41 3.90 0.00 1.60 1.81 0.89 1.06 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 17 L 7.35 4.07 0.00 1.93 1.64 0.93 1.20 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 18 L 7.53 4.02 0.00 1.59 1.55 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.38 4.53 0.00 2.63 2.73 0.00 0.00 6.91 8.25 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 20 E 8.57 4.41 0.00 1.94 1.92 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 2.23 2.23 0.00 *29 E 7.94 4.50 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 2.21 1.91 0.00 30 L 7.83 4.41 0.00 1.80 1.96 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.07 4.55 0.00 2.01 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 2.40 2.36 0.00 32 R 7.89 4.09 0.00 1.81 2.01 0.00 3.26 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 33 D 7.87 4.70 0.00 2.90 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 34 G 7.97 3.82 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 0.00 0.00 0.00 35 W 7.79 5.28 0.00 3.50 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 36 K 9.30 4.90 0.00 1.79 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 37 V 8.56 5.12 2.13 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 0.84 0.00 0.00 1.02 0.00 0.00 38 C 8.81 5.06 0.00 3.04 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 39 L 8.38 5.17 0.00 1.40 1.40 0.88 0.74 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 40 G 7.91 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 5.21 0.00 1.55 1.67 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.29 7.81 42 V 9.47 4.54 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 0.89 0.00 0.00 0.95 0.00 0.00 43 G 8.52 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.73 0.00 3.85 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 45 M 8.53 4.58 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 46 D 8.28 5.14 0.00 2.47 2.34 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 47 A 8.54 4.06 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 48 H 8.11 4.28 0.00 3.43 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.61 3.97 0.00 1.84 1.83 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.19 7.81 50 V 7.28 3.49 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 0.93 0.00 0.00 0.90 0.00 0.00 51 I 7.69 3.58 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.92 0.00 0.00 52 A 8.09 4.01 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 0.00 0.00 0.00 0.00 0.00 53 A 8.33 4.04 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 0.00 0.00 0.00 0.00 0.00 54 I 7.26 3.07 1.68 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.19 0.70 0.00 0.00 55 E 8.15 3.90 0.00 2.15 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 2.39 0.00 56 T 7.88 3.90 4.28 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 1.24 0.00 0.00 57 A 7.95 4.18 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 58 S 8.25 4.26 0.00 4.11 3.97 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 59 K 7.93 4.20 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.60 7.81 60 K 8.30 4.21 0.00 1.82 1.72 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 7.54 4.69 0.00 4.02 3.97 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 62 G 8.44 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 63 V 7.72 3.67 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 0.97 0.00 0.00 1.05 0.00 0.00 64 I 7.36 4.74 1.89 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 1.39 0.87 0.94 0.00 0.00 65 Q 9.03 4.23 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 66 S 8.55 4.66 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.81 4.66 0.00 2.03 1.89 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 2.34 2.21 0.00 68 G 8.82 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.29 4.76 0.00 2.88 2.89 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 70 R 8.27 3.66 0.00 1.87 1.92 0.00 3.20 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 71 E 8.07 4.07 0.00 2.05 1.97 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 2.37 2.38 0.00 72 S 7.97 4.20 0.00 4.07 3.97 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 73 H 8.32 3.93 0.00 2.10 3.10 0.00 5.59 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 74 A 7.78 4.15 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 75 L 7.68 3.90 0.00 1.80 1.85 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.07 4.04 0.00 3.03 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 77 H 8.31 4.13 0.00 3.20 3.32 0.00 5.67 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 78 A 7.85 3.97 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 0.00 0.00 0.00 0.00 0.00 79 T 7.90 3.76 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 1.06 0.00 0.00 80 M 7.77 3.85 0.00 1.90 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 81 E 8.33 4.10 0.00 2.19 2.03 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 2.37 2.55 0.00 82 A 8.04 4.25 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 83 L 8.23 4.06 0.00 1.76 1.65 0.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.00 4.27 0.00 3.49 3.35 0.00 5.81 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 85 G 7.46 3.66 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 0.00 0.00 0.00 86 V 7.91 4.36 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 0.77 0.00 0.00 1.03 0.00 0.00 87 T 7.99 4.17 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 88 R 8.87 3.70 0.00 2.00 2.02 0.00 3.20 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 89 G 7.49 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 90 E 7.73 4.55 0.00 1.92 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 2.20 2.19 0.00 91 M 8.45 4.40 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 92 L 7.26 4.83 0.00 1.59 1.47 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.00 4.47 0.00 1.84 1.59 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.57 3.66 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 0.00 0.00 0.00 95 S 8.07 4.20 0.00 3.84 3.90 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 96 L 7.60 4.62 0.00 1.74 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.67 3.65 0.00 1.76 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.09 4.97 0.00 1.83 1.83 0.00 3.07 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 99 T 8.90 4.73 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 1.23 0.00 0.00 100 V 8.85 4.85 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 0.71 0.00 0.00 0.97 0.00 0.00 101 G 8.81 3.90 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 0.00 0.00 0.00 102 L 9.19 5.24 0.00 1.70 1.57 0.90 0.73 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 0.00 103 R 9.38 5.05 0.00 1.74 1.77 0.00 3.03 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 104 F 9.02 5.62 0.00 3.13 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 0.00 105 A 9.10 5.18 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 0.00 106 V 8.68 5.09 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 1.42 0.00 0.00 1.06 0.00 0.00 107 L 8.35 4.97 0.00 1.51 1.31 0.80 -0.08 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 0.00 108 R 9.94 5.29 0.00 1.97 1.84 0.00 3.36 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 109 G 8.23 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 0.00 0.00 0.00 0.00 110 N 8.06 5.35 0.00 2.82 2.77 0.00 0.00 6.86 7.69 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 0.00 111 P 0.00 4.79 0.00 1.90 2.37 0.00 3.79 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.93 0.00 112 Y 7.78 4.93 0.00 3.12 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 0.00 113 E 8.58 4.15 0.00 1.97 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 2.38 2.45 0.00 114 S 7.99 4.39 0.00 3.88 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 0.00 115 E 8.80 4.23 0.00 2.25 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 0.00 2.37 2.38 0.00 116 A 7.55 4.10 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 0.00 117 E 7.85 4.04 0.00 2.39 2.32 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 2.31 2.13 0.00 118 G 7.80 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 0.00 119 D 8.45 4.83 0.00 2.66 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 0.00 120 W 9.78 4.96 0.00 3.46 3.29 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 0.00 121 I 9.28 5.28 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.74 1.00 0.00 0.00 122 A 8.89 4.94 1.21 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 0.00 0.00 123 V 8.86 4.49 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 1.01 0.00 0.00 0.94 0.00 0.00 124 S 9.20 5.41 0.00 3.82 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 0.00 125 L 9.31 5.38 0.00 1.54 1.54 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.47 4.60 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 6.64 4.34 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 0.00 128 T 7.50 4.87 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 1.06 0.00 0.00 129 I 8.44 4.86 1.78 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 1.16 1.61 0.76 0.00 0.00 130 G 7.95 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 0.00 131 A 7.71 4.35 1.30 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 0.00 0.00 132 P 0.00 4.18 0.00 2.03 2.16 0.00 3.66 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 2.13 0.00 133 I 7.32 4.30 1.86 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 1.29 0.89 0.90 0.00 0.00 134 K 7.72 4.67 0.00 1.73 1.72 0.00 1.78 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 135 G 8.94 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 0.00 0.00 0.00 136 L 7.13 4.39 0.00 2.03 1.63 0.91 0.75 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 0.00 137 E 7.22 5.03 0.00 2.14 1.94 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 2.16 2.18 0.00 138 H 8.10 5.21 0.00 3.27 3.46 0.00 5.46 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.71 4.51 0.00 2.00 2.03 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 2.28 2.34 0.00 140 T 8.53 4.79 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 1.08 0.00 0.00 141 F 8.61 5.63 0.00 3.00 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 0.00 142 G 7.94 5.09 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 0.00 0.00 0.00 143 V 8.68 5.05 2.11 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 0.85 0.00 0.00 1.00 0.00 0.00 144 G 9.34 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 0.00 145 I 8.53 5.31 1.98 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 1.29 0.77 1.21 0.00 0.00 146 N 9.19 5.30 0.00 2.81 2.58 0.00 0.00 6.68 7.97 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 0.00 147 H 8.38 3.44 0.00 2.31 1.64 0.00 5.52 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 0.00 148 I 7.70 4.06 1.83 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 1.07 0.91 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.