NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2945 0.0000 0.0000 61.9613 32.4784 176.3468 3 K 3.7604 8.5453 119.6880 55.5196 30.7238 174.0187 4 K 3.8914 8.1531 124.1845 56.2434 33.8097 174.6870 5 V 4.9671 8.4493 126.7573 61.3050 34.0666 174.3929 6 L 4.9230 8.7323 124.5777 53.2944 46.3733 175.4713 7 T 5.0177 8.0032 116.5129 62.1740 71.9041 173.5424 8 G 3.9559 8.7000 111.9672 46.0565 0.0000 171.6140 9 V 4.8009 7.9960 119.8916 60.9613 33.4131 175.1781 10 V 4.1857 8.7876 128.6811 63.4410 31.9395 176.3128 11 V 4.4574 8.8307 121.1520 61.2537 33.0170 176.1477 12 S 4.5777 7.7617 116.1488 57.0218 65.6107 173.9510 13 D 5.0085 8.8036 125.6782 53.3190 39.4874 175.9466 14 K 4.5141 7.6706 117.3149 57.3367 32.2224 176.2566 15 M 4.7539 7.7376 117.0307 53.2646 35.1698 175.7200 16 Q 4.1670 8.5079 119.6117 56.2295 28.6610 176.0744 17 K 4.1675 9.2648 123.5080 57.2155 29.2826 175.5894 18 T 5.3162 7.6800 112.2445 62.6020 72.7129 173.8466 19 V 4.7190 8.5612 116.7482 59.9645 36.6059 174.9944 20 T 4.5588 8.4285 120.6185 62.9260 69.7747 174.2096 21 V 4.5903 8.6221 128.8000 60.8085 33.1164 174.7464 22 L 4.2869 8.7853 132.1817 55.0481 43.3790 175.8325 23 V 4.6267 8.8956 125.9036 61.1282 34.0392 174.7265 24 E 4.7757 8.8793 127.6659 56.5000 30.7837 176.1322 25 R 4.7763 8.2844 115.8110 55.7840 33.0201 173.5279 26 Q 5.3371 8.7204 117.3638 54.0511 32.1871 173.6493 27 F 4.8349 7.8557 112.0622 55.4280 40.9059 171.2066 28 P 4.8188 0.0000 0.0000 61.9837 32.0077 175.7556 29 H 4.2464 8.8520 125.7667 55.8304 30.2588 174.2720 30 P 4.4119 0.0000 0.0000 64.8278 31.1648 176.4259 31 L 4.5252 7.9867 116.8451 55.1614 44.2353 176.0173 32 Y 4.8470 7.9360 112.9177 57.0348 38.1881 175.3999 33 G 3.6761 6.9955 111.6772 43.9829 0.0000 173.7812 34 K 4.6623 7.0441 113.6794 51.0408 33.4362 175.0040 35 V 4.2663 8.3687 126.8746 62.9970 32.5812 175.1183 36 I 4.5333 8.1817 119.5845 58.9915 40.4224 174.9069 37 K 4.4569 8.7486 126.1122 56.6306 33.1465 176.4070 38 R 4.6312 8.4752 119.5154 55.7598 34.1089 173.6053 39 S 5.3746 8.8761 119.5978 56.5965 66.7642 172.6842 40 K 4.6381 9.0499 120.1827 54.8466 35.8654 174.6256 41 K 4.9425 8.4669 124.9690 55.2155 33.7538 175.3502 42 Y 4.6046 8.6100 121.8454 56.0671 41.2225 174.5726 43 L 4.9923 8.5923 122.8110 53.5570 43.2829 175.7738 44 A 5.1339 8.8033 125.6417 49.9974 22.1223 174.9046 45 H 4.5660 9.3710 122.7677 56.4396 31.3182 174.3397 46 D 5.0059 8.8827 123.8128 51.9125 41.3769 173.9245 47 P 4.7499 0.0000 0.0000 62.6561 31.2590 178.0193 48 E 4.5400 8.8320 114.4035 56.7536 33.2349 175.1484 49 E 4.0547 7.9803 118.1210 57.1772 27.5319 176.1952 50 K 4.0904 8.1621 118.3426 58.3505 33.8974 176.4512 51 Y 4.4368 8.3408 119.4534 56.6466 38.6081 174.9046 52 K 4.5434 9.0067 123.8641 54.1452 35.2974 175.0585 53 L 4.0762 8.3258 121.0027 58.6040 41.6599 175.3902 54 G 3.5160 7.9948 115.1832 45.1732 0.0000 172.4706 55 D 4.9182 7.9614 121.7408 54.2482 42.3239 175.4835 56 V 4.6075 8.3486 121.7487 61.9609 33.6554 175.1356 57 V 4.9275 8.6129 118.9285 60.1438 36.6387 173.4320 58 E 4.9158 8.7235 122.6252 55.6447 31.2824 175.5551 59 I 4.9937 8.9462 123.6203 59.5360 41.2260 174.3127 60 I 4.9691 8.7255 123.9387 58.9213 41.4686 172.6830 61 E 2.9838 8.6184 131.0346 56.4210 29.5890 176.1745 62 S 4.7947 7.6587 121.8403 55.8850 66.4212 174.4621 63 R 3.8522 8.4089 121.5466 55.4826 30.3515 174.3251 64 P 4.2956 0.0000 0.0000 63.6313 31.5964 175.9966 65 I 4.1116 8.4621 124.7605 63.2240 38.0469 175.6735 66 S 4.4352 7.2315 111.7019 57.6202 64.8852 173.8405 67 K 4.0387 8.4789 120.5101 57.4931 32.5204 178.2786 68 R 3.8217 8.6769 119.7703 56.7565 29.1384 176.2981 69 K 4.6090 7.9742 117.2523 55.2292 32.8825 175.8754 70 R 4.9571 8.3296 129.3156 54.6861 31.5071 174.9195 71 F 5.2086 8.1475 115.8848 56.3643 43.8356 174.2934 72 R 4.8457 8.7967 122.2572 54.3091 32.9110 176.0231 73 V 3.4749 7.8392 122.9248 62.6678 30.9448 175.4183 74 L 4.1490 8.8134 131.9728 56.8100 41.6466 176.6745 75 R 4.8783 7.3337 111.8445 55.7221 32.6429 173.3577 76 L 4.5739 8.7631 122.3973 55.6121 42.3958 176.4994 77 V 4.4832 8.9708 122.2666 61.7843 34.2735 175.3822 78 E 5.3864 7.7796 121.5542 55.8078 30.7845 176.8053 79 S 4.6482 8.1731 119.1186 58.0921 63.4783 174.0761 80 G 3.9738 8.4903 102.3081 46.9487 0.0000 173.6160 81 R 4.7073 8.2157 125.1778 54.7551 31.6147 176.6791 82 M 4.2273 7.9096 119.6520 57.8876 32.6025 177.9154 83 D 4.4257 8.2684 119.4262 56.8998 39.1250 178.8548 84 L 4.1065 7.6892 118.6479 57.1664 41.7011 179.3554 85 V 3.6936 7.7242 117.8379 66.0147 31.4573 177.8162 86 E 3.9732 8.8939 118.6181 59.3800 29.1044 179.1582 87 K 3.8903 7.8423 118.0611 59.8334 32.0313 178.6286 88 Y 4.1600 7.9724 119.3164 60.8104 38.8066 177.7234 89 L 3.6563 8.3577 120.2475 57.6944 41.7214 179.6666 90 I 3.5538 8.1017 119.9838 64.6311 36.8661 177.8026 91 R 3.5624 7.2054 117.4473 59.5030 30.0954 177.6793 92 R 3.4710 7.6967 117.9919 59.6406 29.5444 178.3287 93 Q 3.8979 8.0881 119.2991 59.1015 28.6593 177.5046 94 N 4.2315 8.4872 117.8543 56.4074 38.3920 176.6976 95 Y 4.4550 7.6081 117.7607 61.7307 37.8176 178.5401 96 E 3.7464 7.6580 118.5274 59.2423 30.0296 177.9758 97 S 4.5173 7.7259 110.3448 58.6714 63.3510 174.2673 98 L 4.7592 8.6565 120.5807 54.7439 42.7191 177.2570 99 S 4.7812 7.6806 115.5368 58.5679 62.6325 176.7152 100 K 4.3860 8.4310 112.6551 55.1418 31.7063 176.7273 *101 R 4.1415 7.7467 119.9134 56.3383 30.0213 176.8823 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 P 0.00 4.29 0.00 2.19 2.12 0.00 3.74 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 1.88 1.99 0.00 3 K 8.55 3.76 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 4 K 8.15 3.89 0.00 1.77 1.92 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.56 7.81 5 V 8.45 4.97 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 0.85 0.00 0.00 1.00 0.00 0.00 6 L 8.73 4.92 0.00 1.24 1.19 0.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.00 5.02 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 1.25 0.00 0.00 8 G 8.70 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 9 V 8.00 4.80 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 0.96 0.00 0.00 0.92 0.00 0.00 10 V 8.79 4.19 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 0.90 0.00 0.00 0.93 0.00 0.00 11 V 8.83 4.46 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 0.49 0.00 0.00 0.60 0.00 0.00 12 S 7.76 4.58 0.00 3.90 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 13 D 8.80 5.01 0.00 2.82 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 14 K 7.67 4.51 0.00 1.79 1.88 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.42 7.81 15 M 7.74 4.75 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 16 Q 8.51 4.17 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17 K 9.26 4.17 0.00 2.06 2.03 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 18 T 7.68 5.32 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 1.31 0.00 0.00 19 V 8.56 4.72 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 0.79 0.00 0.00 0.87 0.00 0.00 20 T 8.43 4.56 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 21 V 8.62 4.59 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 0.89 0.00 0.00 0.84 0.00 0.00 22 L 8.79 4.29 0.00 1.49 1.49 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.90 4.63 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 0.95 0.00 0.00 0.83 0.00 0.00 24 E 8.88 4.78 0.00 1.91 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 2.33 2.31 0.00 25 R 8.28 4.78 0.00 1.87 2.02 0.00 2.82 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 26 Q 8.72 5.34 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 27 F 7.86 4.83 0.00 3.16 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 28 P 0.00 4.82 0.00 2.04 2.08 0.00 3.92 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 2.09 1.96 0.00 29 H 8.85 4.25 0.00 3.25 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.41 0.00 2.18 2.20 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 31 L 7.99 4.53 0.00 1.31 1.03 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.94 4.85 0.00 2.58 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 33 G 7.00 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 0.00 0.00 0.00 34 K 7.04 4.66 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 35 V 8.37 4.27 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 0.84 0.00 0.00 0.92 0.00 0.00 36 I 8.18 4.53 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.31 0.86 0.00 0.00 37 K 8.75 4.46 0.00 1.67 1.80 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 38 R 8.48 4.63 0.00 2.02 1.92 0.00 3.25 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 39 S 8.88 5.37 0.00 3.90 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 40 K 9.05 4.64 0.00 1.75 1.67 0.00 1.11 0.00 0.00 0.71 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.77 1.15 7.81 41 K 8.47 4.94 0.00 1.59 1.63 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.42 7.81 42 Y 8.61 4.60 0.00 2.61 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 43 L 8.59 4.99 0.00 1.74 1.63 0.93 0.72 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 44 A 8.80 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 45 H 9.37 4.57 0.00 3.25 3.19 0.00 5.75 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 46 D 8.88 5.01 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.75 0.00 2.19 2.01 0.00 3.71 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 48 E 8.83 4.54 0.00 1.93 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 2.25 2.29 0.00 49 E 7.98 4.05 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 2.27 0.00 50 K 8.16 4.09 0.00 1.60 1.82 0.00 1.31 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 0.86 7.81 51 Y 8.34 4.44 0.00 3.28 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 0.00 52 K 9.01 4.54 0.00 1.86 1.92 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.48 7.81 53 L 8.33 4.08 0.00 1.77 1.68 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.99 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.92 0.00 2.71 2.69 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 0.00 0.00 0.00 0.00 56 V 8.35 4.61 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 1.03 0.00 0.00 0.94 0.00 0.00 57 V 8.61 4.93 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 0.69 0.00 0.00 0.90 0.00 0.00 58 E 8.72 4.92 0.00 1.96 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 2.26 2.28 0.00 59 I 8.95 4.99 1.69 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 0.97 0.83 1.09 0.00 0.00 60 I 8.73 4.97 1.88 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 1.07 1.56 0.94 0.00 0.00 61 E 8.62 2.98 0.00 1.93 1.78 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 2.12 1.98 0.00 62 S 7.66 4.79 0.00 3.72 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 63 R 8.41 3.85 0.00 1.73 1.80 0.00 3.42 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 P 0.00 4.30 0.00 2.06 2.02 0.00 3.69 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 2.02 2.12 0.00 65 I 8.46 4.11 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 1.33 0.36 0.69 0.00 0.00 66 S 7.23 4.44 0.00 3.93 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 67 K 8.48 4.04 0.00 1.81 1.72 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.43 7.81 68 R 8.68 3.82 0.00 1.95 2.00 0.00 3.27 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 69 K 7.97 4.61 0.00 1.99 1.72 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.58 7.81 70 R 8.33 4.96 0.00 1.89 1.67 0.00 3.26 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 71 F 8.15 5.21 0.00 2.93 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 72 R 8.80 4.85 0.00 1.77 1.82 0.00 3.14 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 73 V 7.84 3.47 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 -0.36 0.00 0.00 0.69 0.00 0.00 74 L 8.81 4.15 0.00 1.71 1.68 0.94 1.20 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 75 R 7.33 4.88 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 76 L 8.76 4.57 0.00 1.72 1.64 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.97 4.48 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 0.87 0.00 0.00 0.93 0.00 0.00 78 E 7.78 5.39 0.00 2.22 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 2.12 2.07 0.00 79 S 8.17 4.65 0.00 3.85 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 80 G 8.49 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 81 R 8.22 4.71 0.00 2.04 1.92 0.00 3.41 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 82 M 7.91 4.23 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.27 4.43 0.00 2.87 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 84 L 7.69 4.11 0.00 1.77 1.76 0.93 0.78 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 85 V 7.72 3.69 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 1.21 0.00 0.00 0.97 0.00 0.00 86 E 8.89 3.97 0.00 2.15 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 2.51 2.51 0.00 87 K 7.84 3.89 0.00 2.05 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.63 7.81 88 Y 7.97 4.16 0.00 3.06 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 L 8.36 3.66 0.00 1.91 1.66 0.96 0.65 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 90 I 8.10 3.55 1.80 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 1.67 0.89 0.90 0.00 0.00 91 R 7.21 3.56 0.00 1.84 1.80 0.00 3.30 0.00 0.00 3.15 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 92 R 7.70 3.47 0.00 1.44 1.68 0.00 2.99 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 93 Q 8.09 3.90 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 94 N 8.49 4.23 0.00 2.76 2.77 0.00 0.00 7.00 7.36 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 95 Y 7.61 4.46 0.00 3.11 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 96 E 7.66 3.75 0.00 2.13 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 2.35 2.33 0.00 97 S 7.73 4.52 0.00 4.03 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 98 L 8.66 4.76 0.00 1.63 1.72 1.08 1.09 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 99 S 7.68 4.78 0.00 3.96 3.69 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 0.00 0.00 0.00 0.00 100 K 8.43 4.39 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.32 7.81 *101 R 7.75 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.