NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4296 8.1933 115.2897 58.6662 64.5958 175.5888 7 T 3.6903 8.0061 116.7683 66.4121 68.1457 174.9687 8 K 4.0027 8.1617 120.1982 59.1136 32.6407 178.8152 9 K 3.9100 8.0053 119.4612 59.8519 32.2258 178.6353 10 T 3.8574 8.0630 116.0480 66.6818 68.3637 176.1414 11 Q 3.8861 8.1308 121.1923 59.2662 29.1619 177.8640 12 L 3.9439 8.0196 121.2032 58.6279 42.0056 179.1073 13 Q 4.0813 8.0899 117.4618 59.0018 28.6365 178.7644 14 L 4.0807 7.8890 119.9651 57.7395 41.6306 179.4466 15 E 3.9790 8.4000 118.7146 59.6194 29.3975 179.0994 16 H 4.1077 8.3101 116.2439 58.6499 28.8203 177.3676 17 L 3.9229 8.0428 122.1553 58.1874 41.8317 178.5142 18 L 3.9573 8.3721 120.2945 58.2352 42.0026 178.4629 19 L 3.9039 8.4038 120.1949 58.4256 41.9306 178.3014 20 D 4.4248 8.4896 118.9795 57.8990 40.9786 179.4059 21 L 4.0879 8.0587 118.7876 57.8612 41.5564 179.7197 22 Q 4.0626 8.0063 117.8874 59.0792 28.7218 178.4757 23 M 4.1601 8.1648 119.8863 58.3269 31.9185 178.8992 24 I 3.7347 7.6431 119.8486 64.1451 37.2845 178.2722 25 L 3.9633 7.8843 121.0309 58.2128 41.7341 178.6748 26 N 4.4143 8.5879 115.8660 56.3646 38.3521 177.3520 27 G 3.5448 7.9892 106.8966 47.4580 0.0000 176.0093 28 I 3.3581 7.3241 121.6396 64.3417 36.9822 178.2139 29 N 4.3689 7.9124 115.7571 56.3598 38.3632 176.6471 30 N 4.4297 7.4142 116.3196 55.3529 39.2737 174.8711 31 Y 4.6412 6.7042 117.2784 58.2004 38.9267 176.9721 32 K 4.2931 8.5900 120.9061 55.9862 34.2345 177.8111 33 N 4.2672 8.8880 121.1274 56.4049 38.4218 175.5556 34 P 4.2488 0.0000 0.0000 65.7213 31.4318 178.7190 35 K 3.9085 7.9544 116.4425 59.4691 32.1153 179.1003 36 L 4.1244 8.0317 120.4618 58.1586 41.6942 179.1954 37 T 3.8768 8.0724 115.6852 66.6571 68.6862 176.5332 38 R 4.0085 7.7119 120.0133 59.5430 30.3300 178.8359 39 M 4.4030 8.2013 117.8234 58.5302 31.9670 177.5660 40 L 4.4474 7.7101 116.9079 56.2556 42.0719 178.0002 41 T 4.0176 7.7771 109.2070 63.7701 69.2309 175.5249 42 F 4.2976 7.5007 119.7933 57.2847 39.4781 174.4537 43 K 4.9633 8.4097 123.1094 54.8075 34.4655 175.4171 44 F 4.8709 9.1721 121.6507 55.8940 43.1601 173.4796 45 Y 4.8289 9.3141 118.4897 56.7782 39.3878 175.7043 46 M 4.9737 8.7635 123.7011 53.2627 34.6333 174.0756 47 P 5.0295 0.0000 0.0000 62.3552 32.7026 176.7658 48 K 4.1674 8.5684 120.2654 58.7783 32.2312 177.7216 49 K 4.5364 7.6093 116.4422 54.7738 35.2162 176.0806 50 A 4.5770 8.0459 126.5241 51.8886 19.5858 175.6362 51 T 4.6745 8.5736 115.3047 63.0691 71.6684 174.3423 52 E 4.7900 8.2188 120.1129 54.0467 32.2698 176.7935 53 L 4.2629 8.4749 121.3599 57.8309 41.4256 179.7151 54 K 4.1307 7.8203 116.8301 59.2330 32.9639 178.0488 55 H 4.5806 8.2022 117.3127 57.3783 28.2616 176.6120 56 L 3.8812 7.8921 120.5056 56.2042 41.4830 178.3497 57 Q 4.1192 8.0139 120.6801 58.7934 28.9488 178.1692 58 C 4.5369 8.3213 117.2321 59.7293 40.1131 175.5117 59 L 3.6455 7.2751 121.5735 57.8032 41.6465 178.1450 60 E 3.8726 7.5753 118.3812 59.6277 29.3317 178.7839 61 E 4.1652 8.0659 116.1134 58.4019 29.7655 178.0471 62 E 4.5917 8.0181 117.3176 56.0490 29.9945 177.7099 63 L 4.0132 7.7625 121.4865 57.7598 41.7449 179.1200 64 K 3.8350 8.0717 117.8490 59.1777 31.9960 177.0386 65 P 4.0805 0.0000 0.0000 65.7040 31.2743 178.2054 66 L 4.1894 7.9669 118.8246 58.2140 41.8823 178.6436 67 E 3.8710 8.6778 119.3654 59.2973 29.7009 178.0630 68 E 3.9496 8.5606 119.8447 59.3002 29.4373 178.8084 69 V 3.1961 7.6951 118.2539 64.9595 31.5090 177.6385 70 L 4.1487 7.8246 120.0841 57.4033 41.2991 179.0196 71 N 4.2364 8.1801 115.1412 56.6741 38.7305 177.1496 72 L 4.1040 7.6572 116.8968 56.3876 41.6577 178.0808 73 A 4.3370 8.1362 120.0084 53.3629 19.8604 177.5755 *83 R 4.3147 7.7561 114.7206 55.7491 32.3675 176.9079 84 D 4.7760 7.8327 116.5181 55.4441 41.9615 178.2898 85 L 3.9309 7.7143 120.3251 58.4108 42.3133 179.0283 86 I 3.7213 7.7327 119.2094 64.2624 36.8911 178.1100 87 S 4.1150 7.4738 111.2665 61.3811 62.1004 176.1298 88 N 4.2992 7.9706 118.9861 56.5330 38.3415 177.2690 89 I 3.6678 7.4390 121.2088 64.4726 37.0633 177.9614 90 N 4.2351 8.2148 117.6492 56.6635 38.8682 177.0477 91 V 3.5548 7.5076 119.4815 66.0366 31.5958 177.8112 92 I 3.6581 7.8455 119.4705 64.4393 37.0292 178.2660 93 V 3.5285 7.8559 118.7878 66.2974 31.4997 177.7908 94 L 3.9796 8.0538 118.5463 58.1471 41.2737 179.4222 95 E 4.2222 8.0818 116.8742 58.6491 29.6294 178.8917 96 L 4.1681 8.2128 119.3284 57.5223 41.8862 179.0490 97 K 4.2284 8.0939 117.1956 56.2354 33.1735 174.9641 98 G 3.8921 7.3844 112.5795 45.4862 0.0000 172.9927 99 S 4.3845 8.4110 120.5232 56.8507 63.0769 173.4552 *103 F 4.4399 8.3161 127.0999 57.9862 39.9967 173.7728 104 M 3.9004 7.7076 127.5027 54.1973 32.2759 175.6502 105 C 4.2170 8.2368 127.4352 56.2832 43.5503 172.1475 106 E 4.5787 8.5300 125.5903 54.9494 31.4339 175.1514 107 Y 5.2593 8.4040 121.2957 56.5744 40.2971 175.0875 108 A 4.4849 9.0647 125.1761 51.6248 19.7589 177.8794 109 D 4.5539 8.6121 118.7149 57.2087 41.1786 177.6690 110 E 4.2381 8.0042 118.3445 55.9086 30.1945 176.4551 111 T 4.4109 8.1895 113.7637 61.0881 70.6509 173.1336 112 A 5.0830 8.5623 123.4523 50.2115 23.2067 175.4675 113 T 4.6217 9.3332 109.8625 61.1144 70.4987 176.0785 114 I 3.2430 8.6943 121.8370 64.1780 37.8527 177.8466 115 V 3.6057 7.8561 118.3314 66.1910 31.2463 177.5837 116 E 3.9445 7.9911 117.6920 59.4382 29.1880 178.7119 117 F 4.1034 9.1667 121.5860 61.8207 39.3603 177.2586 118 L 4.0112 8.8622 118.5071 57.7044 41.4205 179.3360 119 N 4.2916 8.3278 116.5272 56.2690 38.5331 177.0059 120 R 3.7165 7.9964 120.2392 59.6086 30.0670 178.5478 121 W 4.3257 7.5798 117.9732 59.3953 28.8570 178.7853 122 I 3.8891 7.8486 120.2927 64.5676 36.4192 178.5474 123 T 3.9136 8.1457 116.7973 66.2729 68.2784 176.3040 124 F 4.0557 8.1553 122.7026 61.9337 39.3409 177.0421 125 C 4.1193 8.5127 115.9124 62.9514 27.9667 176.3303 126 Q 3.9461 7.8346 119.6709 58.8725 28.0744 178.6088 127 S 4.0043 8.0639 113.4753 61.3797 62.5898 176.0706 128 I 3.6895 7.4184 122.3464 64.4880 36.6334 178.4621 129 I 3.6827 7.5665 119.3006 64.2677 37.1273 178.1036 130 S 4.2752 7.9454 114.2089 61.3127 62.0699 177.3662 131 T 4.3179 7.5217 110.3521 60.9634 67.9877 174.1971 132 L 4.1439 8.1907 128.7077 57.7431 40.9097 173.4763 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 6 S 8.19 4.43 0.00 3.87 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 7 T 8.01 3.69 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 1.20 0.00 0.00 8 K 8.16 4.00 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 9 K 8.01 3.91 0.00 1.82 2.01 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 10 T 8.06 3.86 4.43 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 1.22 0.00 0.00 11 Q 8.13 3.89 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 12 L 8.02 3.94 0.00 1.82 1.85 0.94 0.74 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 13 Q 8.09 4.08 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 14 L 7.89 4.08 0.00 1.92 1.73 0.91 1.01 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 15 E 8.40 3.98 0.00 2.16 1.94 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 2.31 2.47 0.00 16 H 8.31 4.11 0.00 3.41 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.04 3.92 0.00 1.89 1.91 0.91 0.51 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 18 L 8.37 3.96 0.00 1.85 1.83 1.05 0.58 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 19 L 8.40 3.90 0.00 1.90 1.79 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.49 4.42 0.00 2.97 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 21 L 8.06 4.09 0.00 1.75 1.77 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.01 4.06 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 23 M 8.16 4.16 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 24 I 7.64 3.73 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.93 0.00 0.00 25 L 7.88 3.96 0.00 1.81 1.90 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.59 4.41 0.00 2.84 2.84 0.00 0.00 7.05 7.52 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 27 G 7.99 3.54 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 0.00 0.00 0.00 28 I 7.32 3.36 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.78 1.03 0.00 0.00 29 N 7.91 4.37 0.00 2.82 2.89 0.00 0.00 7.07 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 30 N 7.41 4.43 0.00 2.81 2.79 0.00 0.00 7.20 7.42 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 31 Y 6.70 4.64 0.00 3.21 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 32 K 8.59 4.29 0.00 1.83 1.75 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.59 7.81 33 N 8.89 4.27 0.00 2.75 2.92 0.00 0.00 7.06 8.03 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 34 P 0.00 4.25 0.00 2.14 2.11 0.00 3.53 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 2.12 2.20 0.00 35 K 7.95 3.91 0.00 1.89 1.55 0.00 1.32 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.29 7.81 36 L 8.03 4.12 0.00 1.89 1.89 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.07 3.88 4.46 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 1.20 0.00 0.00 38 R 7.71 4.01 0.00 1.84 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 39 M 8.20 4.40 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.75 0.00 40 L 7.71 4.45 0.00 1.93 1.74 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.78 4.02 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 1.21 0.00 0.00 42 F 7.50 4.30 0.00 3.25 2.90 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 0.00 0.00 0.00 0.00 43 K 8.41 4.96 0.00 1.49 1.47 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.44 7.81 44 F 9.17 4.87 0.00 2.87 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 45 Y 9.31 4.83 0.00 2.28 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 0.00 0.00 0.00 0.00 46 M 8.76 4.97 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 47 P 0.00 5.03 0.00 2.34 2.18 0.00 3.65 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 1.66 1.46 0.00 48 K 8.57 4.17 0.00 1.81 1.93 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.59 7.81 49 K 7.61 4.54 0.00 1.64 1.57 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.20 1.39 7.81 50 A 8.05 4.58 1.13 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 0.00 0.00 51 T 8.57 4.67 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 1.21 0.00 0.00 52 E 8.22 4.79 0.00 1.67 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 0.00 2.31 2.06 0.00 53 L 8.47 4.26 0.00 1.70 1.77 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.82 4.13 0.00 1.68 1.79 0.00 1.07 0.00 0.00 1.48 0.00 0.00 2.75 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.05 0.74 7.81 55 H 8.20 4.58 0.00 3.53 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.89 3.88 0.00 1.90 1.64 1.05 0.61 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 57 Q 8.01 4.12 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 58 C 8.32 4.54 0.00 3.54 3.70 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 59 L 7.28 3.65 0.00 0.27 1.04 0.24 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.58 3.87 0.00 2.06 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 0.00 2.32 2.37 0.00 61 E 8.07 4.17 0.00 2.23 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 2.40 2.51 0.00 62 E 8.02 4.59 0.00 2.31 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 2.44 2.83 0.00 63 L 7.76 4.01 0.00 1.80 1.72 0.89 0.93 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 64 K 8.07 3.84 0.00 1.73 1.84 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.48 7.81 65 P 0.00 4.08 0.00 2.09 1.84 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.06 0.00 66 L 7.97 4.19 0.00 1.95 2.01 0.90 1.05 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 67 E 8.68 3.87 0.00 2.14 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 0.00 2.45 2.32 0.00 68 E 8.56 3.95 0.00 1.99 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 2.21 2.23 0.00 69 V 7.70 3.20 1.72 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 1.05 0.00 0.00 0.66 0.00 0.00 70 L 7.82 4.15 0.00 2.02 1.81 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.18 4.24 0.00 2.87 2.89 0.00 0.00 7.14 7.44 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 72 L 7.66 4.10 0.00 1.68 1.70 0.77 0.74 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 73 A 8.14 4.34 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 *83 R 7.76 4.31 0.00 1.92 2.03 0.00 3.10 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 D 7.83 4.78 0.00 2.67 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 85 L 7.71 3.93 0.00 1.76 1.67 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.73 3.72 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.92 0.00 0.00 87 S 7.47 4.12 0.00 4.09 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 88 N 7.97 4.30 0.00 2.86 3.00 0.00 0.00 7.00 8.14 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 89 I 7.44 3.67 1.98 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 1.41 0.81 0.87 0.00 0.00 90 N 8.21 4.24 0.00 2.97 2.87 0.00 0.00 6.81 7.12 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 91 V 7.51 3.55 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 1.00 0.00 0.00 0.98 0.00 0.00 92 I 7.85 3.66 2.00 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 1.64 0.69 0.95 0.00 0.00 93 V 7.86 3.53 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 0.99 0.00 0.00 0.85 0.00 0.00 94 L 8.05 3.98 0.00 1.94 1.72 0.92 1.07 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 95 E 8.08 4.22 0.00 1.95 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 2.33 2.42 0.00 96 L 8.21 4.17 0.00 1.85 1.76 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.09 4.23 0.00 1.94 1.95 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.67 1.46 7.81 98 G 7.38 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 99 S 8.41 4.38 0.00 3.87 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 *103 F 8.32 4.44 0.00 2.96 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 0.00 104 M 7.71 3.90 0.00 1.70 1.76 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 105 C 8.24 4.22 0.00 3.00 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 0.00 106 E 8.53 4.58 0.00 1.89 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 2.21 2.14 0.00 107 Y 8.40 5.26 0.00 3.02 3.10 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 0.00 108 A 9.06 4.48 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 0.00 109 D 8.61 4.55 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.00 4.24 0.00 1.97 1.88 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 2.31 2.24 0.00 111 T 8.19 4.41 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 0.59 0.00 0.00 112 A 8.56 5.08 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 0.00 113 T 9.33 4.62 4.33 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 1.34 0.00 0.00 114 I 8.69 3.24 1.89 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 1.45 0.84 0.99 0.00 0.00 115 V 7.86 3.61 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 1.04 0.00 0.00 0.98 0.00 0.00 116 E 7.99 3.94 0.00 2.33 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 2.35 2.35 0.00 117 F 9.17 4.10 0.00 2.91 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 0.00 118 L 8.86 4.01 0.00 1.73 1.75 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.33 4.29 0.00 3.02 2.84 0.00 0.00 6.59 7.26 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 0.00 120 R 8.00 3.72 0.00 1.79 1.66 0.00 2.93 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.00 121 W 7.58 4.33 0.00 3.21 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 0.00 122 I 7.85 3.89 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.94 0.00 0.00 123 T 8.15 3.91 4.37 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 1.19 0.00 0.00 124 F 8.16 4.06 0.00 3.00 3.36 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 0.00 125 C 8.51 4.12 0.00 3.12 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 0.00 126 Q 7.83 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 127 S 8.06 4.00 0.00 3.75 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 0.00 128 I 7.42 3.69 1.61 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.68 0.79 0.00 0.00 129 I 7.57 3.68 1.87 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 1.39 0.60 0.89 0.00 0.00 130 S 7.95 4.28 0.00 3.97 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 0.00 131 T 7.52 4.32 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 1.19 0.00 0.00 132 L 8.19 4.14 0.00 1.63 1.60 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.