NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.1318 8.3149 121.7880 57.4363 33.8648 176.5657 9 K 4.3408 7.1090 121.7509 57.9375 29.6224 174.4547 10 G 3.9852 8.4874 116.4582 45.8331 0.0000 171.0212 11 S 4.5472 7.4772 124.6965 57.7093 63.2157 171.0449 12 K 3.9722 8.9738 126.7831 56.3088 32.6602 172.0749 13 K 3.6319 8.5825 127.0518 56.1417 31.8986 174.6224 *22 D 4.2954 8.5686 121.3467 54.7794 40.9723 174.7164 23 G 3.9171 8.5279 111.0848 45.4705 0.0000 171.5072 24 K 3.6226 8.5394 117.2662 56.9532 28.2480 176.4821 25 K 3.8690 8.0114 116.5008 56.9460 31.8788 178.1409 26 R 3.9641 9.0490 116.8671 57.0265 27.3571 173.5896 27 R 3.4608 7.8123 121.7767 53.7111 29.7913 175.7897 28 K 4.1809 8.4189 126.8885 55.9687 33.0133 176.3132 29 T 4.0756 8.2575 116.0268 60.9760 69.4824 174.4807 30 R 3.8501 8.5134 122.4204 55.9832 29.9885 175.7636 31 K 4.3074 8.4295 123.7073 54.3719 32.6261 175.4486 32 E 4.2991 8.4147 124.7534 56.0668 30.6932 175.4712 33 S 4.4598 7.8037 112.7724 56.8647 65.7053 174.3037 34 Y 4.6340 9.2866 117.0615 58.0617 37.6654 177.3755 35 A 4.1094 8.0395 124.2791 55.6396 18.4554 180.0504 36 I 3.5949 7.5232 110.5321 64.0407 37.6199 177.9167 37 Y 4.2019 7.4007 118.1826 60.7716 37.8961 177.6832 38 V 3.7260 8.4731 119.7001 66.3037 31.6127 177.4239 39 Y 3.9122 8.5027 119.5297 60.5999 38.4771 178.1485 40 K 3.9933 8.1301 119.4582 59.5340 32.1649 179.5422 41 V 3.7825 7.9785 118.4970 65.7291 31.4696 177.6218 42 L 3.8667 8.0798 120.4054 58.3878 41.9624 179.3102 43 K 4.0405 7.7766 117.9955 59.3158 31.6284 179.4652 44 Q 4.0757 7.4893 117.9892 58.7657 28.7105 178.3890 45 V 4.0290 7.5517 112.0112 62.5508 33.4437 176.4437 46 H 4.8876 8.5977 115.6395 52.5892 29.6446 171.5346 47 P 4.3276 0.0000 0.0000 64.3199 31.6174 177.1480 48 D 4.8898 8.0141 114.5880 54.0983 41.1545 175.5263 49 T 4.4878 7.8554 116.4229 61.7891 70.2236 174.7260 50 G 4.1802 8.3071 114.9412 44.1441 0.0000 172.0976 51 I 4.5646 7.8929 117.9339 58.2800 41.0024 175.5783 52 S 4.4831 8.5601 122.5490 57.9617 65.1451 175.4559 53 S 4.1302 8.5430 117.6952 61.5766 62.7170 176.7898 54 K 3.9753 8.0354 121.5357 59.2003 31.7961 179.0161 55 A 4.0485 7.9695 120.7489 55.2411 18.2200 179.3876 56 M 4.0233 8.3958 117.2451 58.7574 32.2783 178.4340 57 S 4.1278 8.4036 113.7808 61.2424 62.4564 176.1595 58 I 3.7321 7.9032 122.5510 64.8313 36.8223 178.3177 59 M 4.1844 8.3866 119.6722 58.4009 31.7550 178.3971 60 N 4.4761 8.5756 117.4685 56.8352 39.0700 177.1793 61 S 4.2005 8.2282 116.6859 61.3950 62.8632 176.4127 62 F 4.1931 8.5814 123.5644 61.3762 39.1675 177.2536 63 V 3.0879 8.0545 118.0428 66.0450 31.1912 177.7275 64 N 4.3366 8.2152 116.1025 56.1576 38.3016 176.9881 65 D 4.2760 8.3507 119.7873 57.4415 41.3419 178.5171 66 V 3.4742 7.5796 118.8447 65.6189 31.3877 177.5364 67 F 3.8546 8.2258 120.5844 61.4971 39.1504 177.0007 68 E 4.1224 8.6261 118.0843 59.4330 29.2598 179.6958 69 R 3.8653 8.3920 118.4571 59.2859 30.0883 179.2025 70 I 3.5763 7.9304 119.6534 64.3430 37.0235 178.4075 71 A 3.8332 8.0741 122.1386 54.8712 18.0944 179.9705 72 G 3.4554 8.2405 104.4958 47.9506 0.0000 175.8165 73 E 3.8983 8.1479 121.0834 59.0023 29.3951 179.3238 74 A 3.8638 8.1194 121.0221 54.9904 18.3273 179.4580 75 S 3.9180 8.1496 111.8216 61.6678 62.4891 176.6345 76 R 3.4567 7.7609 120.4152 58.9807 29.7611 178.9006 77 L 3.7903 7.7772 118.5994 57.7674 41.6341 179.4333 78 A 3.9300 8.0475 120.6970 55.6053 18.2688 179.4250 79 H 4.1131 8.1788 114.7229 59.2945 28.5565 177.6656 80 Y 4.4596 8.1894 117.7671 60.5421 37.6662 177.5324 81 N 4.8059 7.7419 114.2908 51.5705 39.5389 174.9122 82 K 3.8775 8.0468 118.6008 57.9278 30.3051 175.3707 83 R 4.6460 8.2927 116.3186 54.6187 32.6251 176.7209 84 S 4.5652 8.5804 114.9603 58.2065 63.6880 173.7032 85 T 4.4697 7.5559 117.7060 61.9349 70.7185 173.2771 86 I 4.0907 8.3226 127.5919 60.4843 37.9368 175.8666 87 T 4.5579 9.0849 117.3859 59.6655 72.3983 175.2242 88 S 4.1641 8.3642 114.7456 61.1668 62.7921 176.2590 89 R 3.8783 7.9732 123.0570 59.3460 29.7414 178.1942 90 E 4.0011 8.0467 118.0864 59.1205 29.4529 179.1662 91 I 3.5995 7.6266 119.8232 64.2635 37.1909 178.1127 92 Q 3.9208 8.2980 120.7197 59.6619 28.8760 178.6532 93 T 3.8744 7.9558 116.4516 66.4772 68.3789 176.5435 94 A 3.9542 8.1578 122.8867 55.1401 18.2577 179.8603 95 V 3.4922 8.0891 117.0402 66.2875 31.3941 178.5752 96 R 3.9188 7.7411 116.6830 59.0983 29.9113 178.7896 97 L 4.1338 7.8663 118.2961 57.5494 41.7265 178.7693 98 L 4.1315 8.0876 119.5068 56.3617 42.5858 176.9806 99 L 4.5233 7.4761 118.0401 52.6593 43.1569 174.7732 100 P 4.3678 0.0000 0.0000 63.1623 33.3707 179.4577 101 G 3.1058 8.0526 102.9274 45.0212 0.0000 177.1029 102 E 3.9376 8.9531 120.5729 59.0499 30.2445 178.3880 103 L 4.0143 7.9169 118.3688 57.7854 41.8080 179.2143 104 A 3.9822 8.0730 120.6730 54.9605 18.4148 179.7415 105 K 3.8428 8.0138 116.9917 60.1757 32.2000 179.3501 106 H 4.3570 8.3531 116.0808 58.5077 28.5101 177.7879 107 A 3.9988 8.3511 123.0984 55.1302 18.1570 179.7976 108 V 3.4977 8.2578 117.1787 66.0759 31.4972 178.0885 109 S 4.0780 7.9340 112.3837 61.6139 62.2841 176.0736 110 E 4.0654 8.3773 121.3237 59.2829 29.1807 179.6597 111 G 3.5778 8.4265 106.1305 48.0308 0.0000 175.9662 112 T 3.8644 8.2021 118.6993 66.1963 68.5296 176.5767 113 K 3.8583 8.3139 121.5399 59.6007 32.0793 178.6219 114 A 4.0346 8.1501 120.9383 55.1577 18.3223 179.8477 115 V 3.5905 7.8996 116.8360 66.3680 31.3811 178.4004 116 T 3.9119 8.0151 114.9082 66.3730 68.5087 176.2680 117 K 4.0773 8.1770 121.4536 59.7775 32.3903 177.9280 118 Y 4.0812 8.3591 120.4159 61.0299 38.4616 177.7830 119 T 4.2903 7.9931 107.6086 62.6567 69.4686 175.8242 120 S 4.3715 7.9946 116.2674 58.2104 63.9825 173.5168 121 A 4.5443 6.8046 124.2912 51.6903 20.8042 177.1034 122 K 4.1550 8.6016 118.9490 56.6257 31.5117 176.5838 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 8 K 8.31 4.13 0.00 1.73 1.90 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 9 K 7.11 4.34 0.00 1.88 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.44 7.81 10 G 8.49 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.48 4.55 0.00 4.01 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 12 K 8.97 3.97 0.00 2.03 2.15 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.53 7.81 13 K 8.58 3.63 0.00 1.96 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *22 D 8.57 4.30 0.00 2.69 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 23 G 8.53 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 24 K 8.54 3.62 0.00 1.90 1.88 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.49 7.81 25 K 8.01 3.87 0.00 1.72 1.79 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 26 R 9.05 3.96 0.00 1.84 2.07 0.00 3.08 0.00 0.00 3.80 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 R 7.81 3.46 0.00 2.01 1.83 0.00 3.35 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 28 K 8.42 4.18 0.00 1.75 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.41 7.81 29 T 8.26 4.08 4.23 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 1.20 0.00 0.00 30 R 8.51 3.85 0.00 1.91 1.97 0.00 2.98 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 31 K 8.43 4.31 0.00 1.68 1.74 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.43 7.81 32 E 8.41 4.30 0.00 2.01 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 2.16 2.09 0.00 33 S 7.80 4.46 0.00 4.11 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 34 Y 9.29 4.63 0.00 3.23 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 35 A 8.04 4.11 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 36 I 7.52 3.59 1.58 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.72 0.00 0.00 37 Y 7.40 4.20 0.00 3.44 3.17 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 38 V 8.47 3.73 2.37 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 1.17 0.00 0.00 1.14 0.00 0.00 39 Y 8.50 3.91 0.00 3.26 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 40 K 8.13 3.99 0.00 2.18 1.93 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.71 7.81 41 V 7.98 3.78 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 1.01 0.00 0.00 1.05 0.00 0.00 42 L 8.08 3.87 0.00 1.69 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.78 4.04 0.00 1.87 1.77 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.18 1.47 7.81 44 Q 7.49 4.08 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 45 V 7.55 4.03 1.91 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 0.74 0.00 0.00 0.92 0.00 0.00 46 H 8.60 4.89 0.00 3.03 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.86 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 4.33 0.00 2.02 2.13 0.00 3.70 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 48 D 8.01 4.89 0.00 2.64 2.65 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 49 T 7.86 4.49 4.34 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 1.16 0.00 0.00 50 G 8.31 4.18 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 0.00 0.00 0.00 51 I 7.89 4.56 1.91 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 1.52 0.85 1.06 0.00 0.00 52 S 8.56 4.48 0.00 4.10 3.99 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 0.00 0.00 0.00 53 S 8.54 4.13 0.00 4.08 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 54 K 8.04 3.98 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 55 A 7.97 4.05 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 56 M 8.40 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 57 S 8.40 4.13 0.00 3.94 4.01 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 58 I 7.90 3.73 2.06 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 1.85 0.78 0.93 0.00 0.00 59 M 8.39 4.18 0.00 2.13 2.33 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 2.91 0.00 60 N 8.58 4.48 0.00 3.05 3.02 0.00 0.00 7.18 7.65 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 61 S 8.23 4.20 0.00 4.21 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 62 F 8.58 4.19 0.00 3.11 3.28 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 63 V 8.05 3.09 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 0.03 0.00 0.00 0.88 0.00 0.00 64 N 8.22 4.34 0.00 2.89 2.88 0.00 0.00 6.70 7.41 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 65 D 8.35 4.28 0.00 2.91 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 66 V 7.58 3.47 1.63 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 0.84 0.00 0.00 0.27 0.00 0.00 67 F 8.23 3.85 0.00 3.15 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 68 E 8.63 4.12 0.00 2.25 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 2.52 2.79 0.00 69 R 8.39 3.87 0.00 1.89 1.93 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 70 I 7.93 3.58 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.76 0.00 0.00 71 A 8.07 3.83 0.93 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 0.00 0.00 72 G 8.24 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 0.00 0.00 0.00 73 E 8.15 3.90 0.00 2.10 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 2.44 2.43 0.00 74 A 8.12 3.86 1.27 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 75 S 8.15 3.92 0.00 3.92 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 76 R 7.76 3.46 0.00 1.89 1.18 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 77 L 7.78 3.79 0.00 1.82 1.67 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.05 3.93 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 79 H 8.18 4.11 0.00 3.17 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.19 4.46 0.00 3.01 2.92 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 81 N 7.74 4.81 0.00 2.81 2.85 0.00 0.00 7.12 8.19 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 82 K 8.05 3.88 0.00 1.87 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.47 7.81 83 R 8.29 4.65 0.00 1.79 1.77 0.00 3.30 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 1.76 1.65 0.00 84 S 8.58 4.57 0.00 3.94 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 85 T 7.56 4.47 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 1.19 0.00 0.00 86 I 8.32 4.09 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.83 0.00 0.00 87 T 9.08 4.56 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 1.23 0.00 0.00 88 S 8.36 4.16 0.00 4.03 4.13 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 89 R 7.97 3.88 0.00 1.90 1.94 0.00 3.08 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 90 E 8.05 4.00 0.00 2.20 1.91 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 2.34 2.41 0.00 91 I 7.63 3.60 1.94 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 1.54 0.90 0.82 0.00 0.00 92 Q 8.30 3.92 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 93 T 7.96 3.87 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 1.21 0.00 0.00 94 A 8.16 3.95 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 95 V 8.09 3.49 2.23 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 1.10 0.00 0.00 0.91 0.00 0.00 96 R 7.74 3.92 0.00 1.97 1.97 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 97 L 7.87 4.13 0.00 1.79 1.73 0.94 0.87 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 98 L 8.09 4.13 0.00 1.61 1.73 0.91 0.93 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 99 L 7.48 4.52 0.00 1.66 1.58 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.37 0.00 2.22 2.18 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 101 G 8.05 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 0.00 0.00 0.00 102 E 8.95 3.94 0.00 1.99 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 2.39 2.35 0.00 103 L 7.92 4.01 0.00 1.90 1.75 0.96 0.94 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 0.00 104 A 8.07 3.98 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 0.00 105 K 8.01 3.84 0.00 1.89 1.79 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.75 7.81 106 H 8.35 4.36 0.00 3.19 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.35 4.00 1.39 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 0.00 0.00 0.00 108 V 8.26 3.50 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 1.07 0.00 0.00 0.98 0.00 0.00 109 S 7.93 4.08 0.00 3.99 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 0.00 110 E 8.38 4.07 0.00 2.17 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 2.45 2.49 0.00 111 G 8.43 3.58 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 0.00 0.00 0.00 112 T 8.20 3.86 4.38 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 1.22 0.00 0.00 113 K 8.31 3.86 0.00 1.89 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 114 A 8.15 4.03 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 0.00 115 V 7.90 3.59 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 1.06 0.00 0.00 0.96 0.00 0.00 116 T 8.02 3.91 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 1.23 0.00 0.00 117 K 8.18 4.08 0.00 1.95 2.03 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.47 7.81 118 Y 8.36 4.08 0.00 3.21 3.20 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 0.00 119 T 7.99 4.29 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 1.48 0.00 0.00 120 S 7.99 4.37 0.00 4.03 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 0.00 121 A 6.80 4.54 1.14 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 0.00 0.00 122 K 8.60 4.15 0.00 1.72 2.14 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.