NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7444 8.3049 120.2772 55.3213 33.6989 174.1608 2 K 4.6666 8.9202 119.2903 53.8461 37.2425 173.4264 3 L 5.0405 9.6610 125.9778 53.5120 45.0232 174.6722 4 I 4.9867 8.8428 127.7001 59.6700 39.7287 174.7196 5 V 5.0016 8.9494 126.5259 61.1032 34.1573 173.9946 6 A 5.2935 9.2048 129.5744 50.1681 22.6443 174.4917 7 I 4.9647 8.7174 122.1219 59.7712 39.7983 175.3999 8 V 4.8664 8.7455 119.5905 59.1209 36.6286 175.5349 9 R 4.3692 8.4225 120.6338 55.5594 30.8963 176.5229 10 P 4.3254 0.0000 0.0000 65.5270 31.1732 178.5721 11 E 4.1941 8.1711 114.2825 57.9542 30.0142 177.8619 12 K 4.4205 7.8240 118.7467 56.0135 32.8133 177.5110 13 L 3.9525 7.6832 122.3049 58.5384 42.0424 178.5748 14 N 4.3793 8.1633 115.6574 56.3464 38.4619 176.8853 15 E 3.9566 8.0843 120.2874 59.1008 29.8035 178.9078 16 V 3.6050 7.8505 118.3738 65.9463 31.5564 178.0127 17 L 4.0416 8.3673 119.1859 57.7096 41.3975 179.6301 18 K 3.9379 8.2180 118.1322 59.5466 32.1697 179.2423 19 A 4.0457 8.0740 120.9420 55.0675 18.1964 179.7557 20 L 3.9807 8.2123 117.5648 57.9017 41.7179 179.2761 21 F 3.9609 8.5218 120.8024 61.6681 39.0871 177.2323 22 Q 4.1855 8.4651 116.0717 58.5437 28.5174 177.6669 23 A 4.4353 7.5702 118.9742 51.6081 18.7084 177.1932 24 E 3.4991 7.9625 116.3457 57.5215 27.3261 175.1982 25 V 3.9789 7.7696 120.3478 61.5859 30.7265 174.9552 26 R 4.2819 8.1447 125.3466 57.0155 31.4644 177.6302 27 G 3.7598 7.8193 107.2939 45.0738 0.0000 172.3295 28 L 4.6589 7.8072 123.7733 55.5171 43.1012 173.4714 29 T 4.9737 8.4672 109.0980 60.0964 72.4373 172.6090 30 L 5.3451 8.2964 121.1631 55.0842 43.7809 174.5984 31 S 4.6814 8.7274 113.1931 57.5614 66.7603 173.3025 32 R 4.9052 8.4523 119.7643 55.6828 31.2525 176.1906 33 V 4.6322 8.8273 115.2633 59.9846 36.8662 173.9256 34 Q 4.9650 8.7156 120.3836 54.4363 30.5708 175.8701 35 G 3.8105 9.4090 111.1665 45.5754 0.0000 173.7789 36 H 3.7665 9.1029 117.3741 57.2749 30.7662 174.3238 *55 L 4.8687 7.1895 117.7122 56.1077 41.7398 175.7318 56 H 5.0986 8.1264 115.7316 53.9023 33.2511 172.7029 57 E 4.6059 8.9308 120.8745 56.7165 30.3607 175.9816 58 K 4.8516 9.3188 120.7783 55.0041 37.6071 174.9102 59 V 4.7222 8.8958 121.4629 61.1975 34.3369 174.0958 60 R 5.0250 9.1196 128.5100 54.7600 32.0402 174.4631 61 L 5.1408 9.1556 126.8785 53.1710 44.7778 175.3749 62 E 4.9976 9.1202 122.7207 54.6657 32.8317 174.3990 63 I 4.6934 9.1644 128.4154 59.4596 40.8132 174.8204 64 G 4.2737 8.7735 114.9822 45.4835 0.0000 173.0866 65 V 4.8071 8.7194 117.5880 59.2985 36.6698 175.6157 66 S 4.7233 8.5805 117.2695 57.7141 64.4410 175.0056 67 E 3.9759 8.9348 120.4122 59.4348 28.9188 178.0182 68 P 4.3234 0.0000 0.0000 64.5984 31.7405 177.5790 69 F 4.2872 8.1917 115.5437 57.4839 39.1148 177.7756 70 V 3.6105 7.6696 119.1639 66.0799 31.4264 177.9531 71 K 3.9540 7.9418 117.5322 59.0955 32.0193 177.4224 72 P 4.3343 0.0000 0.0000 65.7695 31.2586 178.9044 73 T 3.9187 8.0547 114.5792 66.5830 68.4547 176.9149 74 V 3.5859 8.0523 120.4562 66.2411 31.5218 177.9138 75 E 3.9872 8.6994 118.3702 59.2126 29.3576 179.0858 76 A 4.0135 8.0612 120.8319 55.3444 18.3679 179.8673 77 I 3.6895 7.7168 117.9729 64.4093 37.3766 178.4497 78 L 3.9625 8.2860 120.2695 57.9852 41.2763 179.9572 79 K 4.0535 8.0016 116.5902 59.4420 32.1178 179.0854 80 A 4.1568 7.8548 119.2562 54.3279 18.5028 178.8082 81 A 4.2291 8.0968 118.2425 52.7068 19.5177 177.9228 82 R 4.2262 7.0955 117.2869 56.5379 30.6750 176.2017 83 T 4.4394 9.5274 113.5283 60.7422 70.6014 174.9825 84 G 4.0283 8.8419 109.2418 45.0948 0.0000 173.3046 85 E 4.4217 7.8312 119.1202 54.5760 30.7883 175.9843 86 V 3.6459 8.1425 121.9404 64.7552 30.9957 175.9436 87 G 4.2035 9.0351 114.5320 45.7156 0.0000 174.9968 88 D 4.2624 7.4460 120.7958 55.1754 40.9722 175.3357 89 G 4.2425 7.5138 103.2818 44.9216 0.0000 172.3523 90 K 4.6196 8.2308 115.6911 54.8703 37.1167 175.7679 91 I 4.8001 7.7800 121.3013 59.7841 40.2219 174.8719 92 F 4.7371 9.5519 126.7154 55.7927 41.2095 175.1207 93 V 4.6140 8.5560 123.0648 61.2996 33.1296 174.3972 94 L 4.9808 8.9711 128.9383 52.1215 44.3483 174.4286 95 P 4.6895 0.0000 0.0000 62.7810 32.3161 175.5976 96 V 4.3856 8.1852 121.7511 61.4293 33.4376 175.2469 97 E 4.2321 9.0321 127.1040 58.7612 29.9439 177.1854 98 K 4.5618 7.5458 114.8257 54.7617 36.4437 175.2997 99 V 4.5099 7.8557 120.5425 61.4031 34.8100 173.5549 100 Y 5.0919 8.7983 124.4167 56.1626 41.1094 175.0412 101 R 4.3608 9.0952 124.2476 55.0255 30.7709 177.1745 102 I 3.7103 8.6206 128.4180 64.3777 37.5713 177.3761 103 R 4.0340 8.2443 119.6881 59.0802 29.7721 176.9421 104 T 4.2716 7.8904 104.7056 60.8264 70.0337 175.3584 105 G 3.9167 8.4173 109.9171 45.9839 0.0000 173.0442 106 E 4.6542 7.7631 118.5445 54.2549 31.5117 175.4764 107 E 4.3245 8.3130 121.8571 55.6723 30.8472 176.2761 108 D 4.2735 8.2741 120.4021 54.5431 42.0472 175.6486 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 1 M 8.30 4.74 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 2 K 8.92 4.67 0.00 1.64 1.73 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.62 7.81 3 L 9.66 5.04 0.00 1.74 1.52 0.96 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.84 4.99 2.03 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 1.16 0.50 0.96 0.00 0.00 5 V 8.95 5.00 2.25 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 1.04 0.00 0.00 0.96 0.00 0.00 6 A 9.20 5.29 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 4.96 1.93 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 1.40 1.31 0.96 0.00 0.00 8 V 8.75 4.87 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 0.74 0.00 0.00 1.00 0.00 0.00 9 R 8.42 4.37 0.00 1.88 2.15 0.00 3.13 0.00 0.00 3.55 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 10 P 0.00 4.33 0.00 2.16 2.11 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 11 E 8.17 4.19 0.00 2.12 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 2.28 2.34 0.00 12 K 7.82 4.42 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.56 7.81 13 L 7.68 3.95 0.00 1.79 1.74 0.94 0.66 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 14 N 8.16 4.38 0.00 2.77 2.85 0.00 0.00 6.69 7.66 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 15 E 8.08 3.96 0.00 2.03 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 0.00 2.38 2.37 0.00 16 V 7.85 3.61 2.24 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 1.00 0.00 0.00 1.02 0.00 0.00 17 L 8.37 4.04 0.00 1.84 1.74 0.94 1.05 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 18 K 8.22 3.94 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.68 7.81 19 A 8.07 4.05 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.21 3.98 0.00 1.95 1.95 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.52 3.96 0.00 3.20 3.21 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 22 Q 8.47 4.19 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 23 A 7.57 4.44 1.44 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 24 E 7.96 3.50 0.00 2.43 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 2.21 2.27 0.00 25 V 7.77 3.98 2.25 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 0.78 0.00 0.00 1.10 0.00 0.00 26 R 8.14 4.28 0.00 1.63 1.86 0.00 2.21 0.00 0.00 2.67 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 27 G 7.82 3.76 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 0.00 0.00 0.00 28 L 7.81 4.66 0.00 1.72 1.62 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.47 4.97 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 30 L 8.30 5.35 0.00 1.69 1.64 0.93 0.56 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 31 S 8.73 4.68 0.00 3.91 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 32 R 8.45 4.91 0.00 1.70 1.90 0.00 3.21 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 33 V 8.83 4.63 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 1.02 0.00 0.00 34 Q 8.72 4.97 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 35 G 9.41 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 36 H 9.10 3.77 0.00 3.29 3.30 0.00 5.77 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 *55 L 7.19 4.87 0.00 1.80 1.68 0.91 0.69 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 56 H 8.13 5.10 0.00 3.07 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.93 4.61 0.00 1.99 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 2.30 2.37 0.00 58 K 9.32 4.85 0.00 1.64 1.82 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.55 7.81 59 V 8.90 4.72 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 1.09 0.00 0.00 0.95 0.00 0.00 60 R 9.12 5.03 0.00 1.90 1.78 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 61 L 9.16 5.14 0.00 1.65 1.57 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.12 5.00 0.00 2.01 1.77 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 2.20 2.28 0.00 63 I 9.16 4.69 1.90 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 1.18 0.68 0.95 0.00 0.00 64 G 8.77 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 0.00 0.00 0.00 0.00 65 V 8.72 4.81 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 0.75 0.00 0.00 0.99 0.00 0.00 66 S 8.58 4.72 0.00 4.08 4.03 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 0.00 0.00 0.00 67 E 8.93 3.98 0.00 2.02 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 0.00 2.42 2.37 0.00 68 P 0.00 4.32 0.00 1.93 2.02 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 69 F 8.19 4.29 0.00 3.30 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 70 V 7.67 3.61 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 1.14 0.00 0.00 1.06 0.00 0.00 71 K 7.94 3.95 0.00 1.84 1.97 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.58 7.81 72 P 0.00 4.33 0.00 2.11 2.02 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 73 T 8.05 3.92 4.48 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 1.26 0.00 0.00 74 V 8.05 3.59 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 1.01 0.00 0.00 1.00 0.00 0.00 75 E 8.70 3.99 0.00 2.04 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 2.32 2.51 0.00 76 A 8.06 4.01 1.44 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 77 I 7.72 3.69 2.00 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 1.55 0.81 0.92 0.00 0.00 78 L 8.29 3.96 0.00 1.78 1.72 0.90 0.88 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 79 K 8.00 4.05 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 80 A 7.85 4.16 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 81 A 8.10 4.23 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.10 4.23 0.00 1.99 1.83 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 83 T 9.53 4.44 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 1.21 0.00 0.00 84 G 8.84 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.83 4.42 0.00 2.11 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 0.00 2.27 2.26 0.00 86 V 8.14 3.65 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 0.78 0.00 0.00 0.93 0.00 0.00 87 G 9.04 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 0.00 0.00 0.00 88 D 7.45 4.26 0.00 2.79 2.74 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 89 G 7.51 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 0.00 0.00 0.00 0.00 90 K 8.23 4.62 0.00 1.46 1.07 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.40 7.81 91 I 7.78 4.80 1.78 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 1.32 0.54 0.90 0.00 0.00 92 F 9.55 4.74 0.00 3.12 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 93 V 8.56 4.61 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 0.85 0.00 0.00 0.95 0.00 0.00 94 L 8.97 4.98 0.00 1.83 1.55 0.98 0.75 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 95 P 0.00 4.69 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 96 V 8.19 4.39 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 0.91 0.00 0.00 1.00 0.00 0.00 97 E 9.03 4.23 0.00 2.02 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 2.34 0.00 98 K 7.55 4.56 0.00 1.76 1.37 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.43 7.81 99 V 7.86 4.51 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 1.01 0.00 0.00 0.90 0.00 0.00 100 Y 8.80 5.09 0.00 2.84 2.85 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 0.00 101 R 9.10 4.36 0.00 2.01 1.83 0.00 3.09 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 102 I 8.62 3.71 1.88 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 1.31 0.68 0.91 0.00 0.00 103 R 8.24 4.03 0.00 1.77 1.98 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 7.89 4.27 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 1.22 0.00 0.00 105 G 8.42 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 0.00 0.00 0.00 106 E 7.76 4.65 0.00 2.05 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 2.27 2.40 0.00 107 E 8.31 4.32 0.00 1.74 1.68 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 1.87 1.47 0.00 108 D 8.27 4.27 0.00 2.54 2.41 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 * Residues marked with a * may have inaccurate shift predictions.