NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1473 8.1927 115.2552 57.8491 63.5660 174.3429 3 E 3.7264 8.5960 128.5591 58.4156 29.5259 176.9418 4 A 3.9811 8.1404 120.8231 55.1387 18.9229 178.8893 5 K 3.4988 7.9290 117.9141 59.6485 32.1433 178.8746 6 E 3.7630 7.9356 118.6939 59.1325 29.0613 179.1644 7 L 3.8856 7.8052 119.8682 57.9485 42.2189 178.6735 8 I 3.8723 7.5107 118.9383 64.1425 37.3881 177.8995 9 K 3.5467 7.6122 120.2722 59.1548 31.9018 180.3816 10 K 3.6397 7.8978 118.6863 56.7949 32.5390 178.7790 *12 C 4.5309 8.0982 118.2651 60.0778 30.1429 176.0583 13 D 4.3502 7.9454 118.1150 57.2622 40.5409 178.4553 14 L 4.0780 7.9417 120.7543 58.1403 42.3003 178.5760 15 Q 4.0226 8.1421 119.0319 59.4302 28.8134 177.5115 16 N 4.6542 8.2269 116.5177 55.3331 38.8726 176.0516 *17 S 4.3493 7.4481 119.5233 57.4949 64.2427 179.7528 18 N 4.9640 7.8824 121.1181 52.1000 40.7007 175.3102 19 E 4.0074 8.7761 128.6875 61.1925 29.7549 175.7890 20 E 4.1554 8.1914 118.8455 59.3269 29.6183 178.7724 21 I 3.7148 7.6750 118.3890 64.4752 37.3689 177.8614 22 Q 4.6925 7.8804 122.7728 58.9496 28.3806 180.0216 23 K 4.0739 7.6865 122.5393 59.7956 31.8613 182.4863 24 E 4.3229 7.8984 118.0031 55.1947 29.7192 176.8725 *26 A 4.0040 7.4487 120.3483 53.1303 19.6250 178.0272 27 G 4.0845 9.8742 108.6724 44.6551 0.0000 173.4309 28 W 5.1988 7.7943 128.4951 55.3760 33.7792 174.2637 29 S 4.6729 7.5387 120.1624 56.3928 65.5769 173.2661 30 G 3.4763 7.3570 107.3252 46.1364 0.0000 171.5421 31 V 4.9927 8.4444 119.3024 60.9619 34.8392 174.5314 32 V 4.1478 8.7187 127.6756 61.0128 33.7673 173.8006 33 Q 4.6372 8.1502 129.6029 54.8582 31.0487 173.6466 34 Y 4.7769 8.7319 123.5145 56.0981 41.2827 175.1693 35 K 4.7688 9.0600 122.1432 54.8903 35.2617 174.7729 36 L 4.8594 9.3884 126.2840 51.7265 42.8082 176.3625 37 D 4.3879 9.5641 127.1956 55.2805 38.1932 175.2938 38 G 3.5714 8.1499 103.7038 45.7658 0.0000 172.0327 39 Y 4.1663 8.2973 119.2872 57.4519 38.3971 173.7520 40 Y 5.7243 8.1397 122.9715 56.3889 41.0643 174.8844 41 F 5.3371 8.6321 116.9895 57.4291 41.9050 172.1144 42 Y 5.2855 8.4899 117.2969 55.6074 42.2167 173.8219 43 V 4.7430 8.8178 119.7497 61.1901 34.5812 173.9578 44 E 4.9273 9.1431 128.3917 55.6510 31.1440 174.7047 45 Y 5.0497 9.7890 126.0685 57.1053 40.2255 175.6354 46 K 4.7814 8.8184 127.1571 53.3643 34.4963 174.9104 47 S 4.2267 8.9652 118.7713 61.9166 62.8744 176.0930 48 D 4.5257 8.0741 116.2572 53.7641 39.5049 176.8760 49 G 4.0942 8.9679 108.8182 47.0585 0.0000 173.3029 50 T 4.9863 8.1855 111.1999 60.5997 71.7282 172.6957 51 C 5.0734 8.8008 115.6569 57.4251 33.3170 173.2369 52 E 4.6656 8.8974 118.0402 54.4646 32.6065 175.1772 53 F 4.7429 8.9434 127.4647 57.8589 40.5744 174.6989 54 K 4.4516 7.9228 124.2080 54.4661 36.5028 175.4907 55 E 4.2404 8.5343 122.9048 57.3373 30.1108 177.1223 56 G 4.0592 9.2905 107.8686 44.3033 0.0000 172.6133 57 V 4.6106 8.1821 121.2595 61.1380 33.9013 175.2905 58 H 4.0334 9.2640 128.2758 55.2607 30.2350 175.4523 59 S 4.2104 8.0064 120.0942 60.6075 63.7367 174.9051 60 S 4.6001 7.4258 114.6697 56.6634 62.7735 171.2369 61 P 4.3395 0.0000 0.0000 62.0340 32.6640 177.4524 62 T 4.2198 8.2441 117.1164 66.7973 68.9014 174.3136 63 F 4.9910 7.2906 113.2265 56.4435 41.2218 172.9447 64 T 4.8416 9.0196 116.1285 61.6956 72.1911 173.2491 65 V 4.5727 8.5066 126.3423 61.2946 33.6869 174.5430 66 V 5.0211 9.0465 128.6940 60.5971 33.0701 174.1028 67 A 5.2821 8.3285 128.7344 49.4910 23.1644 173.4283 68 P 4.4646 0.0000 0.0000 62.0153 32.3766 175.9101 69 P 4.4722 0.0000 0.0000 66.6296 31.2108 179.4558 70 D 4.3889 8.1395 119.2675 58.3438 39.8777 180.0118 71 F 4.3428 8.3698 122.0914 61.0182 39.4384 176.9285 72 W 3.7419 8.5393 127.9002 59.9963 30.4666 177.5592 73 L 3.8399 8.3748 120.6421 58.3467 41.3901 178.9922 74 A 3.9892 7.7996 120.4244 54.9867 18.0925 179.8142 75 V 3.3737 6.8513 118.1956 65.3865 31.1575 178.3441 76 L 3.8720 7.2632 117.8114 56.8651 41.4054 178.4137 77 K 4.3957 7.3878 116.3736 55.6772 32.2379 177.5323 78 G 3.8355 7.4194 106.1164 46.2140 0.0000 175.2204 79 Q 4.1940 8.0012 118.4576 56.9972 29.2607 176.0083 80 E 4.6298 7.4219 116.7473 54.4117 33.6781 173.5261 81 D 4.7137 8.5884 122.1357 52.4534 42.2038 175.5530 82 P 4.6098 0.0000 0.0000 65.7108 31.0502 178.6498 83 V 3.7729 8.3797 118.5466 65.9091 31.6899 177.6527 84 S 4.4309 8.3938 112.8840 61.3859 63.0603 176.1182 85 G 4.3054 8.6685 109.7978 47.0700 0.0000 173.0357 86 F 4.5913 8.2179 125.8372 57.6007 36.7781 174.9974 *89 G 3.5922 7.9038 112.7514 44.7250 0.0000 171.3548 90 K 4.0145 7.8307 118.8914 56.8531 32.3480 175.9246 91 Y 4.9149 6.8773 115.7521 56.5026 40.5846 172.9748 92 R 4.9244 9.0191 115.2805 54.5083 33.4019 174.2932 93 I 5.1827 8.5001 119.2977 59.6436 40.8023 174.7329 94 E 4.6186 9.3769 125.5612 54.7447 32.7335 174.6313 95 G 4.2820 8.6701 112.0773 44.6620 0.0000 173.1906 96 N 5.7635 8.7138 118.6765 51.7976 40.2992 176.7710 97 I 4.2442 7.6378 120.4750 60.6204 37.3906 177.7161 *99 E 4.3081 8.3786 119.6720 56.1207 31.7656 178.4063 100 A 4.0027 7.8472 119.9616 55.3304 18.4505 179.6618 101 Q 3.9866 8.6610 116.9309 59.0366 28.7563 179.0869 102 R 3.9262 7.9072 119.2221 59.4122 30.2305 178.4115 103 L 3.9948 8.1004 118.5172 57.7153 41.6150 179.2030 104 A 4.1339 8.1629 120.8364 55.2209 18.0771 180.0200 105 G 3.5139 7.8208 102.6816 47.8902 0.0000 175.6588 106 V 3.8380 7.8388 121.1099 66.0169 31.5427 178.2475 107 I 4.0010 8.0156 119.3196 64.3085 36.7094 178.4666 108 K 4.1860 8.1732 118.2348 58.7014 31.9120 178.9804 109 K 4.0969 7.7989 117.7632 57.5052 33.3652 177.7307 110 F 4.6039 7.7309 120.0733 56.0160 37.5310 175.8908 111 Q 4.2559 7.7834 122.3653 55.9742 28.7140 176.1889 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 S 8.19 4.15 0.00 2.99 3.48 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 3 E 8.60 3.73 0.00 2.10 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 2.32 2.38 0.00 4 A 8.14 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.93 3.50 0.00 1.56 1.81 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.12 0.47 7.81 6 E 7.94 3.76 0.00 2.08 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 2.41 2.38 0.00 7 L 7.81 3.89 0.00 1.69 1.81 0.87 0.90 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 8 I 7.51 3.87 2.02 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 1.17 0.00 0.00 9 K 7.61 3.55 0.00 0.79 1.49 0.00 1.27 0.00 0.00 0.64 0.00 0.00 2.16 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.03 0.78 7.81 10 K 7.90 3.64 0.00 1.99 1.76 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.37 7.81 *12 C 8.10 4.53 0.00 3.16 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 13 D 7.95 4.35 0.00 2.80 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 14 L 7.94 4.08 0.00 1.93 1.67 0.92 0.60 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 15 Q 8.14 4.02 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 16 N 8.23 4.65 0.00 2.75 2.86 0.00 0.00 6.94 7.10 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 *17 S 7.45 4.35 0.00 3.58 3.68 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 0.00 0.00 0.00 0.00 18 N 7.88 4.96 0.00 2.83 2.79 0.00 0.00 7.31 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.78 4.01 0.00 2.01 1.96 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 2.32 1.95 0.00 20 E 8.19 4.16 0.00 2.08 2.18 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 2.38 2.59 0.00 21 I 7.67 3.71 2.03 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 1.55 0.75 0.97 0.00 0.00 22 Q 7.88 4.69 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 23 K 7.69 4.07 0.00 1.89 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 24 E 7.90 4.32 0.00 2.12 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 0.00 2.36 2.57 0.00 *26 A 7.45 4.00 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 27 G 9.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.79 5.20 0.00 3.24 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.54 4.67 0.00 3.73 3.65 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 30 G 7.36 3.48 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 0.00 0.00 0.00 31 V 8.44 4.99 1.80 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 0.62 0.00 0.00 0.74 0.00 0.00 32 V 8.72 4.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.79 0.00 0.00 33 Q 8.15 4.64 0.00 2.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.53 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 34 Y 8.73 4.78 0.00 1.43 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 0.00 0.00 0.00 0.00 35 K 9.06 4.77 0.00 1.66 1.89 0.00 1.43 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.84 1.17 7.81 36 L 9.39 4.86 0.00 1.82 1.76 1.20 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.56 4.39 0.00 2.82 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 38 G 8.15 3.57 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 0.00 0.00 0.00 39 Y 8.30 4.17 0.00 3.41 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 40 Y 8.14 5.72 0.00 2.91 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 41 F 8.63 5.34 0.00 2.80 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 42 Y 8.49 5.29 0.00 2.97 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 43 V 8.82 4.74 2.17 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 0.37 0.00 0.00 1.19 0.00 0.00 44 E 9.14 4.93 0.00 1.95 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 2.41 2.53 0.00 45 Y 9.79 5.05 0.00 3.28 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 0.00 46 K 8.82 4.78 0.00 1.44 1.65 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.26 7.81 47 S 8.97 4.23 0.00 3.89 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 48 D 8.07 4.53 0.00 2.80 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 49 G 8.97 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 0.00 0.00 0.00 0.00 50 T 8.19 4.99 4.39 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 1.33 0.00 0.00 51 C 8.80 5.07 0.00 2.76 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 52 E 8.90 4.67 0.00 2.00 1.83 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 2.22 2.23 0.00 53 F 8.94 4.74 0.00 3.00 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 54 K 7.92 4.45 0.00 0.79 0.91 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.06 1.23 7.81 55 E 8.53 4.24 0.00 1.86 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 2.36 2.31 0.00 56 G 9.29 4.06 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 0.00 0.00 0.00 57 V 8.18 4.61 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 0.67 0.00 0.00 0.85 0.00 0.00 58 H 9.26 4.03 0.00 1.40 2.59 0.00 5.80 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 59 S 8.01 4.21 0.00 3.92 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 60 S 7.43 4.60 0.00 3.75 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 61 P 0.00 4.34 0.00 2.18 1.77 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 62 T 8.24 4.22 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 1.52 0.00 0.00 63 F 7.29 4.99 0.00 3.15 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 64 T 9.02 4.84 4.19 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 1.11 0.00 0.00 65 V 8.51 4.57 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.81 0.00 0.00 66 V 9.05 5.02 2.15 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 1.36 0.00 0.00 0.93 0.00 0.00 67 A 8.33 5.28 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 P 0.00 4.46 0.00 2.41 2.12 0.00 3.91 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 69 P 0.00 4.47 0.00 2.17 2.10 0.00 3.69 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 70 D 8.14 4.39 0.00 2.68 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 71 F 8.37 4.34 0.00 3.28 3.46 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 72 W 8.54 3.74 0.00 3.59 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 73 L 8.37 3.84 0.00 1.84 1.75 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 74 A 7.80 3.99 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 75 V 6.85 3.37 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 0.00 0.00 0.22 0.00 0.00 -0.06 0.00 0.00 76 L 7.26 3.87 0.00 1.64 1.59 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.39 4.40 0.00 1.59 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.49 7.81 78 G 7.42 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 79 Q 8.00 4.19 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 80 E 7.42 4.63 0.00 1.48 1.67 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 2.19 2.07 0.00 81 D 8.59 4.71 0.00 2.77 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 82 P 0.00 4.61 0.00 2.53 2.26 0.00 3.74 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 2.11 1.92 0.00 83 V 8.38 3.77 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 0.94 0.00 0.00 0.98 0.00 0.00 84 S 8.39 4.43 0.00 4.16 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.67 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 86 F 8.22 4.59 0.00 2.93 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 *89 G 7.90 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.01 0.00 1.25 0.78 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.23 7.81 91 Y 6.88 4.91 0.00 3.23 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 92 R 9.02 4.92 0.00 1.92 2.02 0.00 2.73 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 93 I 8.50 5.18 1.68 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.78 0.00 0.00 94 E 9.38 4.62 0.00 1.87 1.81 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 2.22 2.24 0.00 95 G 8.67 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 0.00 0.00 0.00 0.00 96 N 8.71 5.76 0.00 2.71 2.76 0.00 0.00 7.25 6.91 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 97 I 7.64 4.24 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.96 0.00 0.00 *99 E 8.38 4.31 0.00 2.32 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 0.00 2.28 2.36 0.00 100 A 7.85 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.66 3.99 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 102 R 7.91 3.93 0.00 1.95 2.15 0.00 3.25 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 103 L 8.10 3.99 0.00 1.95 1.72 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.16 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.82 3.51 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 0.00 0.00 0.00 106 V 7.84 3.84 2.17 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 1.25 0.00 0.00 1.05 0.00 0.00 107 I 8.02 4.00 2.04 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 1.54 0.64 0.96 0.00 0.00 108 K 8.17 4.19 0.00 2.01 1.89 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 109 K 7.80 4.10 0.00 1.60 1.55 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.57 7.81 110 F 7.73 4.60 0.00 3.13 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.78 4.26 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.31 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.