NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 A 4.3587 8.2649 123.5825 52.0071 19.9530 176.0130 29 D 4.7301 8.4395 120.2629 52.0293 44.0842 174.8078 30 A 4.4048 9.0212 127.5530 50.5834 18.9584 175.2032 31 R 4.1129 8.0661 118.5802 55.0815 29.5281 175.2657 32 P 4.6007 0.0000 0.0000 62.8456 32.5212 176.8565 33 T 4.6482 7.8916 114.9880 60.4197 69.2160 170.8580 34 P 4.7781 0.0000 0.0000 62.3699 32.2302 175.9981 35 A 4.3751 8.5911 125.8989 51.2085 19.1286 175.7333 36 P 4.5543 0.0000 0.0000 62.4254 32.5591 175.8098 37 S 4.9311 8.3931 115.5355 58.0398 63.9689 173.6043 38 F 5.1949 9.1144 117.9841 56.5659 41.3624 172.8158 39 S 4.9255 7.9925 113.2423 57.6940 65.6635 174.7332 40 G 4.0395 7.9236 106.1532 46.2424 0.0000 171.2548 41 V 4.7253 8.2478 119.6715 61.0535 33.9655 176.7318 42 T 4.4125 8.8897 117.3410 60.7442 69.7586 175.7102 43 V 3.5798 8.5371 123.1003 65.8452 31.4871 176.4014 44 D 4.7111 8.1122 117.0149 52.9286 39.5904 175.9816 45 G 3.7670 8.2718 105.9950 47.5573 0.0000 173.9344 46 K 4.8964 8.1428 117.1172 53.3514 36.6933 175.0035 47 P 4.8508 0.0000 0.0000 62.6368 32.7108 175.2732 48 F 4.7397 9.2062 123.9566 56.5313 42.9314 173.2645 49 S 4.4080 7.2225 119.4198 55.8972 65.3492 174.9020 50 S 3.4508 8.2856 121.0899 60.5550 62.9917 176.2640 51 A 3.9063 7.5139 124.3968 54.9628 18.1144 179.4509 52 S 4.0711 7.5480 109.3589 60.3907 63.3990 174.9534 53 L 4.3377 7.7798 121.2371 54.0331 41.5488 175.9904 54 K 4.0435 7.4008 121.6663 58.0678 32.1810 177.1751 55 G 3.9936 9.0498 113.8655 45.3813 0.0000 172.6932 56 K 4.8806 7.8863 118.5414 54.5494 34.1882 176.2960 57 A 4.6682 8.8021 125.7916 52.2456 20.1536 175.9536 58 Y 4.7286 8.5077 116.9718 55.9956 42.1434 173.5150 59 I 5.0353 8.1928 120.6108 59.6402 40.8440 174.6191 60 V 4.5837 8.8761 127.5867 61.4078 33.3472 173.8465 61 N 5.2976 9.0908 127.5156 51.1157 41.3046 173.1257 62 F 5.1130 9.5646 127.1368 56.6319 40.5053 175.2548 63 F 5.3219 8.9492 117.7093 55.5594 42.0122 172.9383 64 A 4.4183 7.9531 119.5622 50.0053 21.7565 177.3869 65 T 3.5559 8.8198 111.3175 63.1638 69.1593 175.8493 66 W 4.3239 7.3911 117.7897 57.5456 29.0286 176.0267 67 C 4.5263 7.2350 120.7941 57.9013 31.7139 171.7576 68 P 4.3060 0.0000 0.0000 65.2399 31.1753 176.7896 69 P 4.3249 0.0000 0.0000 66.0841 31.0709 178.2845 70 C 4.1838 7.9972 116.0626 62.7552 27.8922 176.0635 71 R 4.3547 7.7180 119.9843 58.4307 29.6403 178.6987 72 S 4.3006 7.9369 113.0266 60.7956 62.7637 175.2239 73 E 4.3630 8.0467 119.4697 58.5085 29.7320 178.5069 74 I 3.5419 7.9715 120.6024 63.7925 37.4129 175.6946 75 P 4.3390 0.0000 0.0000 65.5864 31.5517 177.8523 76 D 4.3998 7.8453 117.4518 54.6167 40.4947 178.5851 *78 V 4.1002 7.9616 120.5925 63.0832 33.6380 177.0821 79 Q 3.9905 8.1326 120.2221 59.2284 28.8883 178.3679 80 V 3.8199 8.1500 119.4459 66.0352 31.7042 177.5565 81 Q 4.4168 8.5438 118.8998 59.5809 28.6830 178.6004 82 K 4.1022 7.9354 118.1392 59.7709 32.1260 179.1535 83 T 3.8676 7.8121 114.8495 65.4526 68.5553 175.7094 84 W 4.8015 8.0267 117.1160 56.1918 29.8221 177.3655 85 A 4.1305 8.1227 122.8951 54.8618 17.9494 178.8958 86 S 4.8858 8.0903 109.3845 58.6030 63.2225 174.3607 87 R 4.6846 8.5815 118.3704 56.1295 31.0175 176.3757 88 G 4.0469 9.3609 104.6113 45.2751 0.0000 172.9959 89 F 5.8572 7.8061 119.1233 55.6325 42.9053 173.5905 90 T 4.2646 6.6630 116.8583 60.3366 70.8125 172.8740 91 F 4.5520 8.8283 126.1206 57.1819 40.2530 175.2112 92 V 4.4776 8.8247 120.6175 61.2551 34.8491 174.3206 93 G 4.5771 9.5596 115.2875 44.7456 0.0000 172.4475 94 I 4.6712 8.9133 124.0044 59.0966 40.3552 174.3494 95 A 3.8973 8.4551 129.6110 50.6343 19.4195 176.6304 96 V 4.2471 8.1340 116.5845 59.9134 34.3275 175.3336 97 N 4.2856 8.7882 117.0481 54.7805 36.1304 173.6181 98 E 4.9541 8.1587 114.5390 54.3162 33.6717 175.7438 99 Q 4.6836 8.6362 117.9690 53.3547 32.8615 176.3087 100 L 3.9700 8.6174 126.1645 58.1097 42.1606 177.8460 101 P 4.2609 0.0000 0.0000 65.6778 31.2198 177.9251 102 N 4.3443 8.0847 116.5855 56.5799 38.8122 176.9699 103 V 3.7153 7.7093 118.5059 65.8390 31.7218 177.5318 104 K 4.0853 8.1015 118.5818 59.6141 32.2546 178.0012 105 N 4.5323 8.3927 117.3594 56.4441 38.7221 176.8863 106 Y 4.4493 8.1022 120.3504 57.4655 38.6929 177.7616 *108 K 4.1517 8.0608 120.2350 56.0820 33.9692 177.7583 109 T 3.7992 7.9922 107.5657 64.2140 68.6315 174.9308 110 Q 4.0293 7.9066 118.6589 54.5667 29.5764 175.2654 111 G 3.7727 7.2037 106.1275 46.4134 0.0000 174.8422 112 I 3.5397 7.3780 118.8031 60.9193 37.6590 176.5637 113 I 4.3010 8.0814 117.8260 60.3604 37.8988 174.2517 114 Y 4.9606 6.6739 118.1616 54.5336 41.0761 173.5179 115 P 4.4639 0.0000 0.0000 62.8586 32.5759 175.8345 116 V 5.6098 8.3655 121.7565 59.9623 35.6609 173.7444 *119 A 4.5944 8.4464 125.0997 52.0590 19.7605 176.0387 120 T 4.7536 8.1813 108.7882 58.4852 72.2242 173.2901 121 P 4.3216 0.0000 0.0000 65.7407 31.2343 178.6264 122 E 3.9649 8.1974 117.8392 59.2426 29.2661 178.7392 123 L 4.2067 8.0766 119.1787 57.8077 41.6995 179.5537 124 I 4.0848 8.0375 119.9137 64.5737 36.8732 178.7683 125 R 3.9655 8.2469 117.7431 58.7789 29.8953 178.4315 126 A 3.9214 7.9592 120.2505 54.4427 18.5723 178.6475 127 F 4.3761 7.5606 114.5768 57.9241 40.1980 177.6392 128 N 4.3793 8.0667 116.9195 56.3831 38.1014 177.2162 129 G 3.4461 7.6093 105.0689 47.0045 0.0000 174.1738 130 Y 4.6321 7.3469 116.9771 57.6443 38.7287 175.0673 131 I 4.6847 7.1161 120.3852 58.5885 41.2263 173.6472 132 D 4.5031 8.6982 127.2411 55.7135 41.5129 176.3922 133 G 3.8254 8.7996 114.7545 44.3684 0.0000 174.2079 134 G 3.8649 7.8499 107.9941 45.2222 0.0000 172.7559 135 I 3.9969 8.2932 120.7257 61.2609 36.4940 176.1837 136 T 4.6286 8.5124 113.7942 60.7217 70.0047 173.7490 137 G 4.3080 7.8665 109.9249 43.8032 0.0000 171.8527 138 I 4.7570 7.9721 112.8380 57.8448 40.5465 173.4286 139 P 4.8501 0.0000 0.0000 63.1178 32.6463 175.4323 140 T 4.8214 8.6781 117.2013 62.0745 71.6366 173.2673 141 S 5.2923 8.9945 121.1315 56.7402 67.8262 172.8141 142 F 5.0486 9.2145 120.5103 55.7402 42.2658 174.3893 143 V 4.4154 8.9144 124.1506 61.5378 33.1762 174.3424 144 I 4.7905 8.4914 129.9092 59.4939 39.3521 175.6602 145 D 5.1112 8.7985 127.5075 52.0974 41.3336 177.0313 146 A 4.3230 8.4600 119.9107 54.3664 18.0712 179.4094 147 S 4.0802 8.2799 110.7345 60.0849 63.3762 175.3504 148 G 3.9867 8.8360 109.3386 45.2795 0.0000 172.3560 149 N 5.2236 8.2844 116.8175 50.9978 40.4775 174.5871 150 V 4.0741 8.5930 122.3681 62.8904 31.5302 175.8697 151 S 4.5374 8.7639 124.4920 60.0600 64.1340 174.4739 152 G 4.1108 7.4768 104.2063 45.4905 0.0000 172.3766 153 V 4.7453 8.3433 119.7718 60.8206 34.3792 174.5688 154 I 4.2904 8.6627 128.7959 59.4561 38.9389 176.4053 155 V 4.5378 8.3420 119.9459 60.5942 32.8328 175.4059 156 G 4.2345 7.7412 107.2503 42.7215 0.0000 171.3010 157 P 4.4628 0.0000 0.0000 62.5425 32.0167 176.0941 158 R 4.4044 7.5282 118.2080 53.5443 33.6108 176.3903 159 S 4.4593 8.6698 117.3134 57.4402 65.2128 175.3919 160 K 4.0409 8.7245 122.6537 60.0626 31.8537 178.6175 161 A 4.0573 8.0410 120.2296 55.1689 18.2286 179.1992 162 D 4.2298 8.4878 117.9581 57.5504 40.8087 179.0062 163 F 4.1759 8.4991 118.7408 60.5046 38.9565 177.0499 164 D 4.4402 8.6177 118.0406 57.7166 40.7807 178.7658 165 R 3.9440 7.8414 117.3199 59.1180 30.0927 178.7696 166 I 3.7253 7.7035 119.1976 64.2155 37.4028 178.3015 167 V 3.1412 7.5033 119.1279 65.4314 31.0826 178.1187 168 K 3.1927 7.1375 115.3895 57.6870 32.0107 177.6505 *170 A 4.3039 7.9400 122.2821 51.8694 20.3168 179.5468 171 L 3.9943 7.6298 114.8074 55.8600 42.0370 177.4236 172 G 3.9625 7.3452 110.6761 45.7140 0.0000 173.6159 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 A 8.26 4.36 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 29 D 8.44 4.73 0.00 2.71 2.54 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 30 A 9.02 4.40 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 31 R 8.07 4.11 0.00 1.83 1.95 0.00 3.38 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 32 P 0.00 4.60 0.00 2.25 2.07 0.00 3.46 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 2.00 2.11 0.00 33 T 7.89 4.65 4.40 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 1.35 0.00 0.00 34 P 0.00 4.78 0.00 1.98 2.03 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 35 A 8.59 4.38 1.44 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 36 P 0.00 4.55 0.00 2.08 1.89 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.28 0.00 37 S 8.39 4.93 0.00 3.83 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 38 F 9.11 5.19 0.00 3.28 3.14 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 39 S 7.99 4.93 0.00 3.92 3.74 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 40 G 7.92 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 41 V 8.25 4.73 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 0.96 0.00 0.00 42 T 8.89 4.41 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 1.32 0.00 0.00 43 V 8.54 3.58 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 0.82 0.00 0.00 1.00 0.00 0.00 44 D 8.11 4.71 0.00 2.81 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 45 G 8.27 3.77 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 0.00 0.00 0.00 46 K 8.14 4.90 0.00 1.70 1.69 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.36 7.81 47 P 0.00 4.85 0.00 2.05 2.04 0.00 3.73 0.00 0.00 3.60 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 48 F 9.21 4.74 0.00 3.18 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 49 S 7.22 4.41 0.00 3.60 3.23 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 50 S 8.29 3.45 0.00 3.72 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 51 A 7.51 3.91 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 52 S 7.55 4.07 0.00 3.84 3.77 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 53 L 7.78 4.34 0.00 1.51 1.43 0.23 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.40 4.04 0.00 1.66 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.41 7.81 55 G 9.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.89 4.88 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.39 7.81 57 A 8.80 4.67 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.51 4.73 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 5.04 1.81 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 1.20 0.97 1.21 0.00 0.00 60 V 8.88 4.58 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 0.28 0.00 0.00 1.21 0.00 0.00 61 N 9.09 5.30 0.00 2.82 2.59 0.00 0.00 7.04 7.61 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 62 F 9.56 5.11 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.95 5.32 0.00 3.07 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 64 A 7.95 4.42 -0.10 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.82 3.56 3.15 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 1.17 0.00 0.00 66 W 7.39 4.32 0.00 3.42 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 67 C 7.23 4.53 0.00 1.94 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 68 P 0.00 4.31 0.00 2.24 2.13 0.00 3.78 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 69 P 0.00 4.32 0.00 2.27 2.33 0.00 3.64 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 2.07 2.08 0.00 70 C 8.00 4.18 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.72 4.35 0.00 1.98 2.08 0.00 3.26 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 72 S 7.94 4.30 0.00 3.91 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 73 E 8.05 4.36 0.00 2.45 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 0.00 2.49 2.33 0.00 74 I 7.97 3.54 2.02 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 1.25 0.48 0.81 0.00 0.00 75 P 0.00 4.34 0.00 2.17 2.06 0.00 3.76 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 2.12 2.23 0.00 76 D 7.85 4.40 0.00 2.96 2.80 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 *78 V 7.96 4.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 79 Q 8.13 3.99 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 80 V 8.15 3.82 2.37 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 1.11 0.00 0.00 1.20 0.00 0.00 81 Q 8.54 4.42 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 82 K 7.94 4.10 0.00 2.02 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.75 7.81 83 T 7.81 3.87 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 0.33 0.00 0.00 84 W 8.03 4.80 0.00 3.54 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 85 A 8.12 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.09 4.89 0.00 3.88 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 87 R 8.58 4.68 0.00 2.26 2.23 0.00 2.99 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 88 G 9.36 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 89 F 7.81 5.86 0.00 2.90 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 90 T 6.66 4.26 4.07 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 1.04 0.00 0.00 91 F 8.83 4.55 0.00 1.71 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 0.00 0.00 0.00 92 V 8.82 4.48 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 0.59 0.00 0.00 0.78 0.00 0.00 93 G 9.56 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 94 I 8.91 4.67 0.72 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.66 0.74 0.00 0.00 95 A 8.46 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.13 4.25 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 0.92 0.00 0.00 0.91 0.00 0.00 97 N 8.79 4.29 0.00 3.18 3.25 0.00 0.00 6.74 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 98 E 8.16 4.95 0.00 1.79 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 0.00 2.22 1.91 0.00 99 Q 8.64 4.68 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 100 L 8.62 3.97 0.00 1.76 1.70 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.26 0.00 2.32 2.31 0.00 3.69 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 2.09 2.04 0.00 102 N 8.08 4.34 0.00 2.90 3.16 0.00 0.00 6.87 7.71 0.00 0.00 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 V 7.71 3.72 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 0.98 0.00 0.00 0.95 0.00 0.00 104 K 8.10 4.09 0.00 1.84 1.91 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.50 7.81 105 N 8.39 4.53 0.00 3.08 2.87 0.00 0.00 6.86 6.84 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 0.00 106 Y 8.10 4.45 0.00 3.23 3.14 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 *108 K 8.06 4.15 0.00 1.83 1.96 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.41 7.81 109 T 7.99 3.80 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 1.29 0.00 0.00 110 Q 7.91 4.03 0.00 1.45 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 111 G 7.20 3.77 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 0.00 0.00 0.00 112 I 7.38 3.54 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.18 -0.18 0.00 0.00 113 I 8.08 4.30 1.89 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 1.47 0.76 0.94 0.00 0.00 114 Y 6.67 4.96 0.00 3.09 3.14 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 0.00 115 P 0.00 4.46 0.00 1.75 1.98 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 116 V 8.37 5.61 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 1.35 0.00 0.00 0.86 0.00 0.00 *119 A 8.45 4.59 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 0.00 120 T 8.18 4.75 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 1.27 0.00 0.00 121 P 0.00 4.32 0.00 2.21 2.17 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 122 E 8.20 3.96 0.00 2.08 2.01 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 2.46 2.45 0.00 123 L 8.08 4.21 0.00 2.04 1.86 1.01 1.10 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 0.00 124 I 8.04 4.08 2.06 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 1.72 0.87 0.88 0.00 0.00 125 R 8.25 3.97 0.00 1.77 1.95 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 126 A 7.96 3.92 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 0.00 127 F 7.56 4.38 0.00 2.97 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 0.00 0.00 0.00 0.00 128 N 8.07 4.38 0.00 2.65 2.80 0.00 0.00 6.71 7.74 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 0.00 129 G 7.61 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 0.00 130 Y 7.35 4.63 0.00 3.24 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 0.00 131 I 7.12 4.68 2.06 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 1.35 1.75 1.09 0.00 0.00 132 D 8.70 4.50 0.00 2.68 2.58 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 0.00 133 G 8.80 3.83 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 0.00 0.00 0.00 134 G 7.85 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 0.00 135 I 8.29 4.00 1.71 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.78 0.00 0.00 136 T 8.51 4.63 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 1.30 0.00 0.00 137 G 7.87 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 0.00 0.00 0.00 0.00 138 I 7.97 4.76 1.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 1.00 0.00 0.00 139 P 0.00 4.85 0.00 2.16 2.14 0.00 3.71 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 2.01 2.09 0.00 140 T 8.68 4.82 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 0.88 0.00 0.00 141 S 8.99 5.29 0.00 3.73 3.83 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 0.00 142 F 9.21 5.05 0.00 2.92 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 0.00 143 V 8.91 4.42 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 0.96 0.00 0.00 0.94 0.00 0.00 144 I 8.49 4.79 0.56 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 1.00 0.22 0.57 0.00 0.00 145 D 8.80 5.11 0.00 2.91 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 0.00 146 A 8.46 4.32 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 0.00 147 S 8.28 4.08 0.00 4.11 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 0.00 148 G 8.84 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.28 5.22 0.00 2.86 2.70 0.00 0.00 6.67 7.24 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 0.00 150 V 8.59 4.07 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.42 0.00 0.00 151 S 8.76 4.54 0.00 3.70 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 0.00 152 G 7.48 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 0.00 153 V 8.34 4.75 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 0.48 0.00 0.00 1.08 0.00 0.00 154 I 8.66 4.29 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.87 0.00 0.00 155 V 8.34 4.54 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 0.64 0.00 0.00 0.89 0.00 0.00 156 G 7.74 4.23 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 0.00 157 P 0.00 4.46 0.00 2.17 2.06 0.00 3.68 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 1.95 1.97 0.00 158 R 7.53 4.40 0.00 0.67 0.85 0.00 3.02 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.02 0.00 159 S 8.67 4.46 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 0.00 160 K 8.72 4.04 0.00 1.94 1.94 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.65 7.81 161 A 8.04 4.06 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 0.00 162 D 8.49 4.23 0.00 2.62 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 0.00 163 F 8.50 4.18 0.00 3.32 3.14 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 0.00 164 D 8.62 4.44 0.00 3.09 2.94 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 0.00 165 R 7.84 3.94 0.00 1.94 1.93 0.00 3.22 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 166 I 7.70 3.73 1.94 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.46 0.85 0.00 0.00 167 V 7.50 3.14 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 0.00 0.00 -0.88 0.00 0.00 -0.53 0.00 0.00 168 K 7.14 3.19 0.00 1.88 1.79 0.00 1.97 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 *170 A 7.94 4.30 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 0.00 171 L 7.63 3.99 0.00 1.72 1.71 0.66 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 172 G 7.35 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 * Residues marked with a * may have inaccurate shift predictions.