NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1642 8.0427 122.4734 55.1625 43.9277 178.7004 4 S 3.8063 7.9130 111.5166 58.8040 62.6543 173.1296 5 Q 4.0922 7.9134 117.4001 57.4171 30.0654 175.9166 6 E 4.1242 7.3695 120.4444 56.5585 29.5413 178.7144 *8 I 4.0498 7.8350 117.8362 60.8274 39.1008 177.8483 9 K 3.2785 8.1644 120.9499 59.5176 31.7774 178.6981 10 K 3.6781 8.0268 119.8491 59.3159 31.7862 178.9305 11 W 4.4188 7.6437 118.6687 59.8355 28.8690 178.3481 12 L 3.7968 8.0502 119.0433 57.5844 40.9353 179.0033 13 D 4.4236 7.6749 118.5154 56.8478 40.7289 178.5525 14 E 3.9845 8.1779 118.3141 58.4695 29.4553 178.1066 15 E 4.5145 7.3634 115.8324 55.0916 29.9803 176.3833 16 G 3.9742 8.0222 106.9050 46.3703 0.0000 175.1841 17 F 4.5323 8.2242 119.8574 57.9852 38.7652 174.4917 18 L 3.8317 7.5732 121.8871 54.5063 42.5672 176.6387 19 R 4.3881 8.7272 125.2778 57.0958 32.3664 175.1739 *21 E 4.6636 8.0335 117.6146 56.2038 30.8990 175.0944 22 V 4.5468 8.2072 121.3996 60.3715 34.6153 173.4704 23 P 4.3248 0.0000 0.0000 63.1083 31.9236 176.0833 24 D 4.2769 8.2135 118.3027 53.7109 42.1831 175.9694 25 E 4.0958 8.9593 127.9589 58.5574 29.8134 177.0941 26 N 5.0609 7.9284 115.5082 51.1719 37.5801 174.5454 27 A 4.5303 7.7697 119.4249 51.9639 22.8964 177.1869 28 R 4.2672 8.2453 122.9920 59.6300 30.5208 176.2694 29 F 4.7746 6.8954 111.2844 57.3813 41.4703 172.2216 30 H 4.6118 7.7696 113.1561 55.9963 32.9272 172.7207 31 Y 5.3514 8.8552 123.0514 56.2923 42.5095 174.7677 32 V 4.5645 8.6158 122.2978 61.4815 33.5187 174.6807 33 V 4.5106 8.6622 128.6839 61.9971 33.6728 174.7584 34 N 5.8089 8.2729 122.8166 51.0831 40.2953 173.4409 35 Y 4.4033 8.0391 124.6435 55.6600 41.8947 172.5474 36 P 4.0967 0.0000 0.0000 61.3368 34.3596 176.4613 37 E 3.3739 7.8999 117.8580 58.3855 27.5122 175.3361 38 D 4.7316 8.5849 127.5095 55.3454 41.1733 175.6517 39 H 4.3354 8.1209 120.8292 56.3061 31.0943 174.0943 40 V 4.7995 7.9204 124.2811 61.2595 33.1494 174.7362 41 I 4.6933 8.5172 127.9292 59.5916 41.0890 173.9849 42 D 5.3675 9.4931 125.6541 52.7416 43.6401 175.6013 43 I 4.7767 8.5938 123.7266 59.7990 39.5370 174.3423 44 I 4.3858 8.6223 128.4052 59.1424 40.7935 174.7915 45 Q 4.3754 7.4369 127.8417 53.3057 29.6194 172.9362 46 P 4.2484 0.0000 0.0000 62.7641 31.4533 175.6368 47 A 3.9317 8.9219 122.2149 55.7219 18.7524 179.2924 48 G 3.7993 8.0685 103.8159 48.1633 0.0000 173.9384 49 K 4.2652 7.8104 119.2777 55.3264 32.8010 176.3012 50 D 5.1105 8.6953 121.6200 53.0124 40.1667 175.8723 51 D 4.2904 7.3799 119.8316 52.6571 40.0729 175.3464 *53 I 3.9633 7.5660 111.9855 61.8088 39.6580 173.9753 54 L 4.6945 8.8378 128.0108 53.4589 44.1663 174.9395 55 I 4.7976 9.1752 128.4310 60.1381 38.3955 174.5876 56 A 5.2734 8.9889 129.4232 50.2415 22.7054 174.8446 57 C 4.7249 8.8842 119.7612 57.9893 34.6927 172.5851 58 A 4.6867 8.5852 128.7938 51.1619 20.0233 176.2545 59 T 4.3000 8.1706 118.4346 61.6837 72.0778 172.8552 60 S 4.9015 8.4513 121.6632 56.4184 63.9579 173.5981 61 V 3.9699 9.3222 129.5203 62.4668 31.9568 176.0702 62 S 4.3180 9.0073 122.9700 57.7855 63.3603 173.6294 63 P 4.1992 0.0000 0.0000 66.0582 31.0507 177.6238 64 E 3.9572 8.1460 117.6859 59.0933 29.7645 177.8064 65 H 4.5855 7.8233 115.1545 57.8379 29.0231 176.9800 66 Q 4.1410 7.8120 116.0384 57.2371 28.3368 177.8318 67 A 4.0396 7.7745 123.8924 55.4251 18.3625 180.1541 68 G 3.2153 7.4754 102.8037 47.7531 0.0000 175.6170 69 I 3.7168 6.8375 120.3225 63.6010 37.1297 177.9242 70 R 4.0489 7.4274 118.6712 58.9617 29.9970 177.8312 71 A 4.1281 7.4562 119.7648 54.1909 18.6764 178.1556 72 L 4.2845 7.3290 115.3888 54.9377 43.8715 179.9005 73 S 4.7619 8.0252 120.9267 58.2738 62.4860 175.7509 *75 E 4.3194 9.1375 117.7097 56.3253 30.9471 177.8778 76 K 4.1762 7.6458 116.4951 59.0567 31.8129 179.8904 77 R 4.0391 8.0078 118.5543 59.6052 30.0247 178.6759 78 T 3.8313 8.0706 115.0236 66.8990 68.4708 175.5725 79 E 4.1624 8.2423 120.6656 59.7448 29.5830 178.8556 80 F 4.4739 8.2192 119.8714 61.4691 39.3567 177.2664 81 I 3.4466 8.1244 119.7961 63.7337 36.7662 178.4988 82 W 4.2286 8.4625 120.5136 59.7763 28.8197 178.2802 83 K 4.1775 8.2617 118.9066 59.4135 31.5243 179.4018 84 V 3.3697 7.7095 119.3252 65.0286 31.0878 178.5678 85 R 3.8426 7.4606 119.1576 59.3987 29.7553 178.5663 86 F 4.5039 7.7770 116.3127 60.7088 39.0523 177.5334 87 T 4.1002 8.2248 115.5739 66.9013 68.2901 176.7195 88 L 3.9598 7.6123 120.7051 57.4141 41.2239 178.4157 89 N 4.9560 7.7395 113.0169 54.5921 38.8238 175.7136 90 R 4.5426 7.6269 116.8964 56.4828 31.3543 176.2549 91 F 4.4749 8.2086 117.1138 56.6524 39.0855 175.8722 92 G 3.9902 8.2700 107.8718 46.8003 0.0000 173.7052 93 V 4.7387 7.8286 110.5597 59.4356 36.2294 174.5137 94 D 5.3760 9.1081 121.5171 53.0772 43.2154 175.9591 95 F 5.5560 8.2683 115.1802 55.7060 41.5506 173.4414 96 Q 4.5544 9.2400 118.4287 54.2068 31.9546 174.3271 97 L 4.9206 8.6505 123.8072 53.2226 44.0572 176.0379 98 D 4.7858 9.2226 124.0850 52.5908 42.0970 173.1062 99 H 5.5512 8.4108 119.9090 51.1636 27.7335 171.2804 100 P 3.8322 0.0000 0.0000 66.5457 32.0718 177.3351 101 E 4.4031 7.9730 118.0251 55.5458 29.6434 176.4763 102 N 4.4584 7.9777 109.1290 54.1107 37.0574 174.4615 103 V 4.2373 7.1848 117.4913 60.9261 32.9066 174.5113 104 L 4.8057 8.5743 129.4762 54.5907 42.2167 175.2219 105 N 4.8697 9.9901 126.4528 55.2170 40.2635 174.6254 106 S 5.2268 7.8560 111.0421 57.8099 67.2397 172.5717 107 Y 5.2386 8.7967 117.9930 56.0111 41.5006 173.1624 108 L 5.0593 9.1903 126.8562 53.4098 44.4390 174.8502 109 V 4.8896 8.7880 126.7466 61.6342 33.5554 174.4825 110 T 5.3710 9.2147 124.3077 62.1471 72.7691 172.6492 111 D 4.9088 9.1738 123.1318 53.3847 45.0697 173.8334 112 E 5.1574 8.9204 124.8422 54.6869 32.2909 175.2246 113 I 4.6734 8.2562 122.9766 59.7104 40.2373 175.5749 114 F 4.5183 8.9071 124.8425 55.9510 40.8230 177.0215 115 F 4.8017 8.9934 121.8401 60.6875 38.8845 177.7212 116 D 4.6170 8.6244 119.6698 56.7753 40.6701 177.2680 117 G 4.2627 8.1268 105.7975 44.8234 0.0000 172.3747 118 L 4.3221 8.0898 121.6057 54.6810 42.8922 176.7023 119 S 4.3266 7.8601 116.8615 56.1751 66.2284 177.0061 120 K 2.4800 6.6887 123.4599 59.1543 31.6256 178.2673 121 D 4.1308 7.5597 117.6324 57.3981 41.1005 178.2144 122 R 3.8427 8.0485 119.3155 59.2794 30.1311 177.8525 123 L 3.9440 8.0803 120.5237 58.5388 42.2561 179.0253 124 I 3.7034 8.0824 119.8924 64.2854 36.8690 178.8896 125 S 4.1119 7.6756 116.2423 61.7398 62.7215 176.5938 126 S 4.1805 8.0849 117.7715 61.7026 62.5812 176.8609 127 I 3.7838 7.7668 122.1877 64.6181 36.9702 178.6929 128 K 4.2839 7.9986 118.7364 59.4394 31.7265 179.0577 129 N 4.4279 8.5005 117.7523 56.7071 39.0921 177.1134 130 V 3.5964 8.2985 120.1236 65.8415 31.4423 177.7659 131 F 4.1698 8.3921 120.3879 61.4943 39.3779 177.1982 132 R 3.3116 7.9974 117.3469 58.9342 29.4641 178.9013 133 A 2.0000 7.7093 120.8819 54.3672 18.1648 179.8521 134 K 3.6963 7.2404 114.9679 59.2330 32.8124 178.9936 135 L 3.3710 7.0130 121.7314 57.9883 41.9398 178.2745 136 Q 4.1913 7.1464 116.4824 58.8217 28.6842 179.3675 137 V 3.6453 6.6029 116.9282 62.9402 30.7850 175.9838 *139 W 4.9913 7.9219 115.7234 56.3818 30.7312 177.7867 *141 I 4.2932 7.8193 120.0470 61.7423 38.8277 178.3659 142 Q 4.1021 8.2684 118.8235 58.9373 28.7859 178.5891 143 E 3.9134 8.4839 115.1698 59.3071 29.6837 178.6315 144 R 3.6607 7.6969 117.6402 58.5780 30.2462 177.2006 145 F 4.6862 8.2565 114.3015 56.9272 39.2530 176.5637 146 G 4.1364 8.4363 116.5558 45.9361 0.0000 173.7766 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 3 L 8.04 4.16 0.00 1.64 1.68 0.88 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.91 3.81 0.00 3.89 3.81 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 5 Q 7.91 4.09 0.00 1.32 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.05 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 6 E 7.37 4.12 0.00 1.94 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 2.16 2.12 0.00 *8 I 7.84 4.05 2.10 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 1.20 0.00 0.00 9 K 8.16 3.28 0.00 1.57 1.81 0.00 1.01 0.00 0.00 0.98 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.29 7.81 10 K 8.03 3.68 0.00 1.70 1.36 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.72 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.36 7.81 11 W 7.64 4.42 0.00 3.56 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 12 L 8.05 3.80 0.00 1.66 1.87 0.99 1.27 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 13 D 7.67 4.42 0.00 2.73 2.67 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 14 E 8.18 3.98 0.00 1.95 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 2.32 2.60 0.00 15 E 7.36 4.51 0.00 1.26 1.49 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 2.15 1.99 0.00 16 G 8.02 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 0.00 0.00 0.00 17 F 8.22 4.53 0.00 3.07 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 18 L 7.57 3.83 0.00 1.63 1.58 0.78 0.65 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 19 R 8.73 4.39 0.00 1.84 2.06 0.00 3.40 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 *21 E 8.03 4.66 0.00 2.32 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 2.27 2.61 0.00 22 V 8.21 4.55 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 0.72 0.00 0.00 0.93 0.00 0.00 23 P 0.00 4.32 0.00 2.06 1.96 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 24 D 8.21 4.28 0.00 2.59 2.47 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 25 E 8.96 4.10 0.00 1.96 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 2.31 2.36 0.00 26 N 7.93 5.06 0.00 2.76 2.80 0.00 0.00 6.69 7.16 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 27 A 7.77 4.53 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 28 R 8.25 4.27 0.00 1.87 2.26 0.00 3.43 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 29 F 6.90 4.77 0.00 2.65 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.77 4.61 0.00 3.07 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.86 5.35 0.00 3.01 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 32 V 8.62 4.56 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 1.00 0.00 0.00 1.01 0.00 0.00 33 V 8.66 4.51 2.14 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 0.92 0.00 0.00 1.10 0.00 0.00 34 N 8.27 5.81 0.00 2.51 2.83 0.00 0.00 6.67 7.73 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 35 Y 8.04 4.40 0.00 1.81 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 0.00 0.00 0.00 0.00 36 P 0.00 4.10 0.00 1.73 0.76 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.00 37 E 7.90 3.37 0.00 2.02 1.51 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 2.07 2.18 0.00 38 D 8.58 4.73 0.00 2.64 2.65 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 0.00 0.00 0.00 39 H 8.12 4.34 0.00 3.09 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.92 4.80 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 0.84 0.00 0.00 0.95 0.00 0.00 41 I 8.52 4.69 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 1.06 0.00 0.00 42 D 9.49 5.37 0.00 2.52 2.45 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 43 I 8.59 4.78 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 1.13 0.00 0.00 44 I 8.62 4.39 1.70 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 0.56 0.72 0.75 0.00 0.00 45 Q 7.44 4.38 0.00 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 46 P 0.00 4.25 0.00 2.02 1.97 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 47 A 8.92 3.93 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 48 G 8.07 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 49 K 7.81 4.27 0.00 1.62 1.79 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 50 D 8.70 5.11 0.00 2.83 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 51 D 7.38 4.29 0.00 2.81 2.86 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 *53 I 7.57 3.96 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 1.25 0.00 0.00 54 L 8.84 4.69 0.00 1.55 1.62 0.86 1.05 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 55 I 9.18 4.80 2.06 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 0.67 0.98 0.00 0.00 56 A 8.99 5.27 1.19 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 0.00 0.00 57 C 8.88 4.72 0.00 3.05 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 58 A 8.59 4.69 1.18 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 0.00 0.00 59 T 8.17 4.30 2.95 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 0.88 0.00 0.00 60 S 8.45 4.90 0.00 3.81 3.71 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 61 V 9.32 3.97 2.35 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 0.95 0.00 0.00 1.13 0.00 0.00 62 S 9.01 4.32 0.00 4.01 4.02 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 63 P 0.00 4.20 0.00 2.22 2.20 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 64 E 8.15 3.96 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 65 H 7.82 4.59 0.00 3.22 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.81 4.14 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 67 A 7.77 4.04 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 68 G 7.48 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 0.00 0.00 0.00 69 I 6.84 3.72 1.75 0.00 0.00 1.00 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 -0.04 1.00 0.00 0.00 70 R 7.43 4.05 0.00 2.09 2.02 0.00 3.24 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 1.62 1.63 0.00 71 A 7.46 4.13 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 72 L 7.33 4.28 0.00 1.70 1.69 1.03 0.95 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 73 S 8.03 4.76 0.00 4.19 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 *75 E 9.14 4.32 0.00 2.17 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 0.00 2.34 2.45 0.00 76 K 7.65 4.18 0.00 1.94 1.92 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.57 7.81 77 R 8.01 4.04 0.00 1.96 2.23 0.00 3.19 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 78 T 8.07 3.83 4.54 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 1.36 0.00 0.00 79 E 8.24 4.16 0.00 2.35 2.36 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 2.47 2.48 0.00 80 F 8.22 4.47 0.00 3.26 3.35 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 81 I 8.12 3.45 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.76 0.35 0.00 0.00 82 W 8.46 4.23 0.00 3.66 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 83 K 8.26 4.18 0.00 2.20 1.86 0.00 1.85 0.00 0.00 1.93 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.64 7.81 84 V 7.71 3.37 1.41 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 0.39 0.00 0.00 0.48 0.00 0.00 85 R 7.46 3.84 0.00 1.98 1.90 0.00 3.00 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 86 F 7.78 4.50 0.00 3.29 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 87 T 8.22 4.10 4.36 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 1.34 0.00 0.00 88 L 7.61 3.96 0.00 0.58 0.42 0.38 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.74 4.96 0.00 3.21 3.02 0.00 0.00 7.10 6.97 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 90 R 7.63 4.54 0.00 1.98 1.72 0.00 3.34 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 91 F 8.21 4.47 0.00 3.08 3.04 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 92 G 8.27 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 93 V 7.83 4.74 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 0.93 0.00 0.00 1.02 0.00 0.00 94 D 9.11 5.38 0.00 2.64 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 95 F 8.27 5.56 0.00 3.11 2.91 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 96 Q 9.24 4.55 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 97 L 8.65 4.92 0.00 1.58 1.66 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 D 9.22 4.79 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 99 H 8.41 5.55 0.00 3.11 3.24 0.00 5.41 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.83 0.00 2.18 2.07 0.00 4.10 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 2.00 2.02 0.00 101 E 7.97 4.40 0.00 2.02 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 2.33 2.26 0.00 102 N 7.98 4.46 0.00 2.86 2.93 0.00 0.00 7.02 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.18 4.24 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 0.76 0.00 0.00 0.99 0.00 0.00 104 L 8.57 4.81 0.00 1.77 1.78 1.05 1.07 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 0.00 105 N 9.99 4.87 0.00 2.79 3.08 0.00 0.00 6.58 8.30 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 0.00 106 S 7.86 5.23 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.80 5.24 0.00 3.02 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 0.00 108 L 9.19 5.06 0.00 1.76 1.63 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.79 4.89 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 1.02 0.00 0.00 110 T 9.21 5.37 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 1.27 0.00 0.00 111 D 9.17 4.91 0.00 2.80 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 0.00 112 E 8.92 5.16 0.00 1.60 1.61 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 2.17 2.36 0.00 113 I 8.26 4.67 1.97 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 1.30 0.67 1.07 0.00 0.00 114 F 8.91 4.52 0.00 3.21 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 0.00 115 F 8.99 4.80 0.00 3.14 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 0.00 116 D 8.62 4.62 0.00 2.77 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 0.00 117 G 8.13 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 0.00 0.00 0.00 0.00 118 L 8.09 4.32 0.00 1.90 1.82 1.19 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.86 4.33 0.00 3.83 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 0.00 120 K 6.69 2.48 0.00 0.79 1.12 0.00 1.43 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.05 0.84 7.81 121 D 7.56 4.13 0.00 2.65 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 0.00 122 R 8.05 3.84 0.00 1.91 1.98 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 123 L 8.08 3.94 0.00 1.87 1.76 1.08 1.31 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 0.00 124 I 8.08 3.70 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.72 0.00 0.00 125 S 7.68 4.11 0.00 4.01 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 0.00 126 S 8.08 4.18 0.00 4.07 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 0.00 127 I 7.77 3.78 2.11 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.97 0.97 0.00 0.00 128 K 8.00 4.28 0.00 2.13 2.03 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.39 7.81 129 N 8.50 4.43 0.00 3.03 3.01 0.00 0.00 6.75 8.32 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 0.00 130 V 8.30 3.60 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 1.00 0.00 0.00 1.02 0.00 0.00 131 F 8.39 4.17 0.00 3.35 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 0.00 132 R 8.00 3.31 0.00 2.02 1.95 0.00 3.35 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.10 0.00 133 A 7.71 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.24 3.70 0.00 2.14 2.03 0.00 1.46 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.37 7.81 135 L 7.01 3.37 0.00 0.27 0.91 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.15 4.19 0.00 1.88 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.41 0.00 0.00 0.00 0.00 0.00 2.44 2.86 0.00 137 V 6.60 3.65 1.64 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 0.05 0.00 0.00 0.51 0.00 0.00 *139 W 7.92 4.99 0.00 3.65 3.06 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 0.00 0.00 0.00 *141 I 7.82 4.29 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.04 0.96 0.00 0.00 142 Q 8.27 4.10 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.90 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 143 E 8.48 3.91 0.00 1.96 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 2.32 2.27 0.00 144 R 7.70 3.66 0.00 1.17 0.66 0.00 2.83 0.00 0.00 2.54 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 145 F 8.26 4.69 0.00 2.98 3.06 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 0.00 0.00 0.00 146 G 8.44 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.