NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 V 4.0024 7.9133 113.9548 61.4834 33.7745 173.5278 21 T 5.0293 8.2469 118.8125 60.1294 70.5344 172.3536 22 L 5.0230 9.1093 125.3367 54.0652 45.0938 174.4798 23 Q 5.2558 8.6826 120.5634 54.3474 31.4635 174.2914 24 L 4.8226 8.6693 124.7101 54.6352 44.6223 174.9807 25 R 4.9332 8.7284 118.5912 54.9727 32.7976 175.5543 26 I 5.1143 8.0353 120.5825 59.7367 41.2566 174.1089 27 D 4.6823 9.4114 126.2604 54.2544 42.3944 177.0496 28 G 4.2060 9.2451 114.2946 45.8226 0.0000 174.9774 29 M 4.0825 7.9830 116.2063 57.3652 31.5278 177.5300 30 H 3.9968 8.4582 119.1570 59.7391 29.8066 175.2958 31 C 4.2117 8.0493 113.8073 59.6635 28.3125 173.5517 32 K 4.2255 8.3785 126.5018 57.7413 32.0511 177.9710 33 S 4.0360 7.8264 113.8689 61.6704 61.0653 175.9440 34 C 3.1256 8.1031 121.2164 62.4814 30.8645 175.9298 35 V 3.6146 7.8553 119.9821 63.7423 31.0127 178.2882 36 L 3.8716 7.8566 122.0757 58.2607 41.7086 178.5922 37 N 4.4092 8.0414 116.4016 55.7440 37.2438 177.0425 38 I 3.6033 7.1667 120.6313 64.3492 37.0554 177.6384 39 E 3.9047 8.1399 119.0855 59.5260 29.4213 178.2466 40 E 4.0549 8.1178 118.1685 59.1912 29.7929 177.9575 41 N 4.7327 7.6272 114.5198 53.3810 39.1234 175.2579 42 I 4.2026 7.6282 121.6661 60.9785 37.8390 174.7573 43 G 3.8109 8.6908 114.8217 45.4323 0.0000 173.9760 44 Q 4.3780 8.0195 116.2735 55.9790 29.5630 175.5118 45 L 4.5552 7.4280 119.5368 53.2368 43.2253 177.1998 46 L 3.9390 8.6687 121.5299 58.4304 40.2407 178.3160 47 G 4.0446 8.0959 105.0805 44.7735 0.0000 172.3696 48 V 4.6788 8.0804 120.5081 61.0765 33.8354 175.3766 49 Q 4.7032 8.5882 125.3625 57.2488 30.4115 175.2636 50 S 4.7453 7.7347 112.7175 57.1270 66.9912 172.5415 51 I 4.8663 8.1266 118.7760 59.4204 41.0290 173.7565 52 Q 4.6912 9.0994 127.8610 54.4582 32.7342 174.0665 53 V 4.6851 8.3864 116.7580 59.0685 34.9906 175.7859 54 S 4.6538 8.2085 115.7459 57.3204 62.3124 175.3475 55 L 4.0714 7.7677 121.6615 57.5171 42.2308 179.2307 56 E 4.0815 8.1434 115.7082 58.4979 29.8379 177.2349 57 N 4.4372 7.9355 116.6773 53.9376 39.4783 175.4947 58 K 4.2547 8.3890 116.0322 55.8019 30.9088 175.6200 59 T 4.8169 7.6553 108.8569 60.0129 72.2586 172.7710 60 A 4.9868 8.7728 123.4831 50.1550 22.2845 175.6804 61 Q 4.6570 9.0539 122.2811 54.4394 31.6741 174.4002 62 V 4.5707 8.6747 126.9974 60.2503 34.2813 175.4131 63 K 4.8902 8.4936 122.1066 54.6556 32.7039 174.3880 64 Y 5.2034 8.8704 122.2906 55.0213 41.1329 175.0987 65 D 4.8277 9.1191 121.7405 52.2022 42.2371 175.6059 66 P 5.0110 0.0000 0.0000 63.1199 31.4573 177.2459 67 S 4.4046 7.7994 114.9822 60.3412 63.4855 174.7884 68 C 4.6630 8.0691 116.0337 59.9392 30.3785 172.6487 69 T 4.6424 7.3769 112.5049 60.3056 70.4266 171.4910 70 S 4.6434 7.9756 115.3231 55.6632 66.3313 174.0441 71 P 4.0229 0.0000 0.0000 65.9342 30.9890 179.3336 72 V 3.5772 7.7003 116.9149 64.7254 31.4003 178.1063 73 A 3.9380 7.5275 121.1756 54.6080 18.1164 179.4897 74 L 3.8010 8.1076 117.9509 57.9570 41.8585 179.1867 75 Q 3.9270 8.0197 119.3173 59.7318 28.7438 179.2009 76 R 3.9975 7.9935 116.8453 58.7582 30.1604 178.7514 77 A 4.1139 7.9898 121.4127 55.1748 18.6383 179.7484 78 I 3.7283 8.1387 111.5402 63.8653 37.6139 177.8628 79 E 3.9808 8.1050 119.7549 58.1048 29.6061 176.8923 80 A 4.6302 7.4501 119.8808 51.8943 19.4566 177.6346 81 L 4.0957 7.9148 118.7648 57.8316 41.6700 176.4028 82 P 4.5839 0.0000 0.0000 61.0673 32.9285 174.9203 83 P 4.4424 0.0000 0.0000 62.4504 29.3716 176.0698 84 G 3.8925 7.6633 103.4402 47.4649 0.0000 172.1439 85 N 4.4158 8.0331 118.0273 52.9188 40.3332 173.9805 86 F 5.3107 7.6318 114.6721 54.6454 41.8950 173.9373 87 K 4.6898 8.7094 125.6288 55.0479 33.9581 175.7721 88 V 4.7987 9.2793 120.5869 60.2736 34.1053 175.7823 89 S 4.5209 9.0625 118.4092 57.3925 66.3568 173.8378 90 L 4.7730 8.2644 127.0145 53.6855 43.9282 176.6263 *120 T 4.2650 8.2600 114.4480 62.1963 68.7586 173.3896 121 C 4.9352 7.5343 113.3096 57.5278 32.7594 173.0162 122 S 4.5234 8.5338 114.5849 57.2170 66.1385 172.4137 123 T 5.2288 8.3519 119.3179 62.1544 71.2315 173.3246 124 T 4.8164 9.2130 119.0489 60.5472 71.9324 171.8056 125 L 5.2710 8.4972 126.2420 53.3092 45.2604 174.9419 126 I 5.1241 8.9380 125.4756 59.4557 41.2074 174.0016 127 A 5.1343 9.0484 128.0624 50.3876 21.2010 175.7693 128 I 4.8916 8.7307 122.8108 58.6701 40.1644 175.9972 129 A 4.7146 8.3877 127.1720 48.9095 17.4502 177.5853 130 G 4.0661 6.9251 106.0456 44.7607 0.0000 173.6642 131 M 4.3793 7.7144 116.4362 53.9067 34.8596 175.7778 132 T 4.4598 8.2787 117.2027 62.0377 69.5796 173.0791 133 C 4.6650 7.4542 116.4513 57.5908 32.3187 174.4467 134 A 4.0195 8.6448 123.3683 55.3595 17.8036 180.0236 135 S 4.0736 8.2076 112.2260 61.7639 62.5940 176.3254 136 C 3.9230 8.0562 120.6001 62.6521 27.6674 176.1304 137 V 3.5339 8.0036 120.2229 66.3578 30.7066 177.9407 138 H 4.2619 8.0938 114.0449 58.2882 28.3502 177.6745 139 S 4.0930 7.6150 117.8986 61.5931 62.7602 176.5163 140 I 3.6973 7.9436 122.6707 64.5325 36.7565 178.1051 141 E 4.0776 8.2698 119.0810 59.3767 29.7365 178.9065 142 G 3.7250 7.8384 104.9677 48.0395 0.0000 175.8291 143 M 4.2268 8.2680 121.8138 57.6828 32.2977 178.8761 144 I 3.9504 7.9386 119.7796 63.7407 37.0716 177.6230 145 S 4.4201 7.5151 110.5885 59.4850 62.1749 174.5921 146 Q 4.5912 7.7078 118.6809 56.2038 29.3402 175.5817 147 L 4.4899 7.6070 119.1992 55.0569 41.0062 176.6754 148 E 4.0134 8.2695 115.9378 57.6787 28.5486 176.2062 149 G 3.9733 8.6636 108.4945 46.5928 0.0000 173.8060 150 V 4.1894 7.7332 118.6355 61.8461 30.1838 175.6942 151 Q 4.1956 8.8090 128.4740 58.8548 29.6859 175.8579 152 Q 4.6467 7.8725 118.8696 54.4585 32.8438 173.0619 153 I 5.0966 8.3302 125.0132 59.4483 41.2865 174.0165 154 S 4.8964 9.1009 122.9179 56.6944 66.0854 172.8646 155 V 4.9823 8.2387 124.2881 60.3883 34.4612 174.0599 156 S 4.6778 9.1052 117.2099 56.6959 65.2004 174.9084 157 L 3.9940 8.7609 125.3599 56.9145 42.0098 179.0376 158 A 4.0083 7.7966 121.3231 54.6569 18.2259 178.1001 159 E 4.4404 8.0698 111.2237 55.3746 31.6027 175.4930 160 G 3.7324 8.0495 106.4174 46.2338 0.0000 173.2041 161 T 5.2119 8.2538 107.4746 59.7410 72.9958 173.6503 162 A 5.2170 9.0575 125.1507 50.4576 22.7160 175.0383 163 T 5.1514 8.8883 114.8814 60.2056 70.5807 173.2744 164 V 4.9902 8.9655 127.6412 60.0556 35.5115 173.8273 165 L 5.0083 9.2145 127.2193 54.0669 43.1510 174.6792 166 Y 5.3037 8.9154 124.9303 55.1155 41.9428 174.2908 167 N 5.2904 9.1246 119.7998 51.1550 39.5529 173.9648 168 P 4.8198 0.0000 0.0000 64.4655 32.2460 177.5586 169 A 4.1335 8.1781 122.1137 55.2995 18.7345 178.8942 170 V 3.8300 8.3742 114.7046 65.1665 31.8412 176.0612 171 I 4.9147 7.9495 116.9666 59.3020 41.3518 173.9624 172 S 4.7768 8.6033 120.9596 55.8395 65.7200 173.5190 173 P 3.9307 0.0000 0.0000 65.9066 30.4816 178.7913 174 E 4.0343 8.0544 115.2018 59.0632 29.3415 178.8046 175 E 4.0453 8.2583 120.0510 58.8683 29.0998 178.9542 176 L 3.8990 7.6142 119.1168 57.7341 41.7369 179.1525 177 R 3.8860 8.0316 117.7973 59.7524 29.9447 178.0685 178 A 4.2562 7.9252 120.1869 54.5121 18.2597 179.5092 179 A 3.9732 7.8666 119.1503 55.3568 18.4597 179.9725 180 I 3.8451 7.5753 117.9896 64.4686 37.2660 178.5068 181 E 4.4345 8.3312 120.9775 58.9435 29.0303 178.8651 182 D 4.3624 8.0832 117.3359 57.2222 41.3259 177.6526 183 M 4.1754 7.8016 118.4256 57.7040 32.2123 176.0031 184 G 3.4384 6.2861 105.6303 44.7768 0.0000 173.5292 185 F 5.4012 7.9215 120.7445 56.0718 42.9654 173.5630 186 E 4.9680 8.9711 118.0238 55.6471 33.5883 174.7244 187 A 5.2501 8.6464 123.8914 50.3810 22.8968 175.0658 188 S 4.6048 9.0630 113.3724 56.7529 66.4750 173.1550 189 V 4.4461 8.4200 119.6518 60.2228 32.6550 176.4126 190 V 4.0546 8.3019 118.4651 61.3738 31.3048 175.9233 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 20 V 7.91 4.00 1.85 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 0.53 0.00 0.00 0.03 0.00 0.00 21 T 8.25 5.03 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 1.23 0.00 0.00 22 L 9.11 5.02 0.00 1.83 1.96 0.92 0.56 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 23 Q 8.68 5.26 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.17 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 24 L 8.67 4.82 0.00 1.89 1.68 0.92 0.76 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 25 R 8.73 4.93 0.00 1.76 1.87 0.00 3.36 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 26 I 8.04 5.11 1.86 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 1.23 0.59 0.92 0.00 0.00 27 D 9.41 4.68 0.00 2.77 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 28 G 9.25 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 0.00 0.00 0.00 0.00 29 M 7.98 4.08 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 30 H 8.46 4.00 0.00 3.10 3.41 0.00 5.92 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 C 8.05 4.21 0.00 3.19 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 32 K 8.38 4.23 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.51 7.81 33 S 7.83 4.04 0.00 3.89 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 34 C 8.10 3.13 0.00 2.49 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 35 V 7.86 3.61 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 0.87 0.00 0.00 0.86 0.00 0.00 36 L 7.86 3.87 0.00 1.68 1.81 0.92 0.38 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 37 N 8.04 4.41 0.00 3.02 3.11 0.00 0.00 6.22 7.57 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 38 I 7.17 3.60 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.90 0.00 0.00 39 E 8.14 3.90 0.00 2.01 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 0.00 2.32 2.47 0.00 40 E 8.12 4.05 0.00 2.12 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 2.36 0.00 41 N 7.63 4.73 0.00 2.75 2.86 0.00 0.00 7.42 7.35 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 42 I 7.63 4.20 1.94 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 1.39 0.80 0.92 0.00 0.00 43 G 8.69 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 0.00 0.00 0.00 44 Q 8.02 4.38 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 45 L 7.43 4.56 0.00 1.74 1.62 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.67 3.94 0.00 1.76 1.84 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.10 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 48 V 8.08 4.68 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 1.21 0.00 0.00 0.96 0.00 0.00 49 Q 8.59 4.70 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.43 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 50 S 7.73 4.75 0.00 3.87 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 51 I 8.13 4.87 2.02 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 1.23 0.81 0.98 0.00 0.00 52 Q 9.10 4.69 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 53 V 8.39 4.69 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 0.81 0.00 0.00 0.92 0.00 0.00 54 S 8.21 4.65 0.00 3.80 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 55 L 7.77 4.07 0.00 1.66 1.70 0.89 0.98 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 56 E 8.14 4.08 0.00 2.07 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 0.00 2.27 2.29 0.00 57 N 7.94 4.44 0.00 2.68 3.05 0.00 0.00 7.33 6.69 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 58 K 8.39 4.25 0.00 1.83 2.27 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.36 7.81 59 T 7.66 4.82 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 1.25 0.00 0.00 60 A 8.77 4.99 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 61 Q 9.05 4.66 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 62 V 8.67 4.57 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 0.98 0.00 0.00 63 K 8.49 4.89 0.00 1.96 1.78 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.37 7.81 64 Y 8.87 5.20 0.00 3.01 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 65 D 9.12 4.83 0.00 2.80 2.68 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 66 P 0.00 5.01 0.00 2.20 2.14 0.00 3.28 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 67 S 7.80 4.40 0.00 3.99 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 68 C 8.07 4.66 0.00 2.99 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 69 T 7.38 4.64 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 1.32 0.00 0.00 70 S 7.98 4.64 0.00 4.04 3.93 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 71 P 0.00 4.02 0.00 2.14 2.12 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 72 V 7.70 3.58 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 0.77 0.00 0.00 0.91 0.00 0.00 73 A 7.53 3.94 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 74 L 8.11 3.80 0.00 1.66 1.58 0.09 0.72 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 75 Q 8.02 3.93 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 76 R 7.99 4.00 0.00 1.85 1.97 0.00 3.37 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 1.76 1.77 0.00 77 A 7.99 4.11 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 78 I 8.14 3.73 1.88 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 1.56 0.58 0.96 0.00 0.00 79 E 8.10 3.98 0.00 2.07 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 0.00 2.33 2.47 0.00 80 A 7.45 4.63 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 81 L 7.91 4.10 0.00 1.89 1.81 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.58 0.00 1.83 1.96 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 83 P 0.00 4.44 0.00 2.13 2.09 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 84 G 7.66 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 0.00 0.00 0.00 85 N 8.03 4.42 0.00 2.29 1.82 0.00 0.00 6.81 6.88 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 86 F 7.63 5.31 0.00 2.93 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 87 K 8.71 4.69 0.00 1.85 1.69 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.65 7.81 88 V 9.28 4.80 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 0.69 0.00 0.00 0.99 0.00 0.00 89 S 9.06 4.52 0.00 3.69 3.72 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 90 L 8.26 4.77 0.00 1.61 1.63 0.89 0.89 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 *120 T 8.26 4.26 4.22 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 1.18 0.00 0.00 121 C 7.53 4.94 0.00 2.85 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 0.00 122 S 8.53 4.52 0.00 3.49 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 5.23 4.27 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 1.24 0.00 0.00 124 T 9.21 4.82 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 1.17 0.00 0.00 125 L 8.50 5.27 0.00 1.75 1.46 0.93 0.92 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 0.00 126 I 8.94 5.12 1.86 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 0.95 0.93 0.00 0.00 127 A 9.05 5.13 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 0.00 128 I 8.73 4.89 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.59 0.95 0.00 0.00 129 A 8.39 4.71 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 0.00 130 G 6.93 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 0.00 0.00 0.00 0.00 131 M 7.71 4.38 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 132 T 8.28 4.46 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 1.17 0.00 0.00 133 C 7.45 4.66 0.00 2.94 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 0.00 134 A 8.64 4.02 1.31 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 0.00 135 S 8.21 4.07 0.00 4.04 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 0.00 136 C 8.06 3.92 0.00 2.97 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 0.00 137 V 8.00 3.53 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 1.13 0.00 0.00 0.95 0.00 0.00 138 H 8.09 4.26 0.00 3.43 3.55 0.00 5.70 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 0.00 139 S 7.62 4.09 0.00 3.95 3.93 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 0.00 140 I 7.94 3.70 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.91 0.00 0.00 141 E 8.27 4.08 0.00 2.06 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 2.34 2.45 0.00 142 G 7.84 3.72 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 0.00 0.00 0.00 143 M 8.27 4.23 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.85 0.00 144 I 7.94 3.95 1.97 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 1.57 1.02 0.92 0.00 0.00 145 S 7.52 4.42 0.00 4.13 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 0.00 146 Q 7.71 4.59 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 147 L 7.61 4.49 0.00 1.72 1.74 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.27 4.01 0.00 2.26 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 0.00 2.28 2.30 0.00 149 G 8.66 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 0.00 150 V 7.73 4.19 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 0.96 0.00 0.00 151 Q 8.81 4.20 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 152 Q 7.87 4.65 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 153 I 8.33 5.10 1.89 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 1.24 1.07 0.93 0.00 0.00 154 S 9.10 4.90 0.00 3.90 3.61 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 0.00 0.00 0.00 155 V 8.24 4.98 2.07 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 0.80 0.00 0.00 0.91 0.00 0.00 156 S 9.11 4.68 0.00 3.83 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 0.00 157 L 8.76 3.99 0.00 1.76 1.67 0.91 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 0.00 158 A 7.80 4.01 1.29 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 0.00 159 E 8.07 4.44 0.00 1.93 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 2.20 2.25 0.00 160 G 8.05 3.73 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 0.00 0.00 0.00 161 T 8.25 5.21 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 1.29 0.00 0.00 162 A 9.06 5.22 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 0.00 163 T 8.89 5.15 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 1.22 0.00 0.00 164 V 8.97 4.99 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 0.66 0.00 0.00 1.04 0.00 0.00 165 L 9.21 5.01 0.00 1.69 1.70 0.93 0.67 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 0.00 166 Y 8.92 5.30 0.00 2.98 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 0.00 167 N 9.12 5.29 0.00 2.82 2.88 0.00 0.00 6.89 7.00 0.00 0.00 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 P 0.00 4.82 0.00 2.23 2.03 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 169 A 8.18 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.83 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 0.78 0.00 0.00 0.99 0.00 0.00 171 I 7.95 4.91 1.91 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 1.21 1.21 1.07 0.00 0.00 172 S 8.60 4.78 0.00 3.87 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 0.00 173 P 0.00 3.93 0.00 2.03 1.94 0.00 3.46 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.61 0.00 174 E 8.05 4.03 0.00 2.16 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 2.32 2.37 0.00 175 E 8.26 4.05 0.00 2.11 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 2.30 2.39 0.00 176 L 7.61 3.90 0.00 1.77 1.67 0.73 0.67 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 0.00 177 R 8.03 3.89 0.00 1.85 2.07 0.00 3.29 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 178 A 7.93 4.26 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 0.00 179 A 7.87 3.97 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 0.00 180 I 7.58 3.85 1.92 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 0.48 1.06 0.00 0.00 181 E 8.33 4.43 0.00 2.18 1.98 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 2.34 2.32 0.00 182 D 8.08 4.36 0.00 2.78 2.84 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 0.00 183 M 7.80 4.18 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.71 0.00 184 G 6.29 3.44 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 0.00 185 F 7.92 5.40 0.00 3.01 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 0.00 186 E 8.97 4.97 0.00 2.07 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 0.00 2.31 2.33 0.00 187 A 8.65 5.25 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 0.00 188 S 9.06 4.60 0.00 3.83 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 0.00 189 V 8.42 4.45 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 0.72 0.00 0.00 0.91 0.00 0.00 190 V 8.30 4.05 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 0.71 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.