NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8046 8.3049 120.6637 55.5819 33.8473 174.2123 2 I 4.3020 8.3102 126.8685 59.2766 39.3025 173.0694 3 I 4.6719 8.0398 127.7579 59.7108 40.4144 174.4754 4 S 4.2657 7.6235 119.5668 57.8531 66.9454 173.4501 5 S 4.9486 7.9384 114.4956 56.0816 65.1308 174.4905 6 L 4.3245 9.4639 129.2728 55.2607 40.7062 178.3094 7 T 4.6252 7.5512 110.7439 62.7542 72.3608 173.6267 8 N 5.0787 8.8152 120.9573 49.9069 39.0775 174.1167 9 P 4.5838 0.0000 0.0000 64.9795 31.5975 176.3699 10 N 4.8286 7.8585 115.3254 53.7243 39.7827 177.4370 11 F 4.0891 9.1539 114.8432 59.7381 38.8466 177.6760 12 K 3.7673 6.5838 121.8916 57.9982 32.0012 177.4229 13 V 3.6845 7.7610 119.0931 63.6512 31.0675 176.5711 14 G 3.9734 9.0568 113.5513 44.8707 0.0000 172.7085 15 L 4.5025 7.8716 120.4062 52.7361 42.9917 175.0264 16 P 4.3971 0.0000 0.0000 62.9663 32.0393 177.5000 17 K 3.9609 8.8118 121.2744 59.7303 31.9244 179.6372 18 V 3.5448 7.9078 117.9570 66.4176 31.2820 177.8761 19 I 3.8512 7.7776 118.5765 63.6201 36.8795 178.2949 20 A 4.0777 7.7851 121.6229 55.0915 18.3531 178.9630 21 E 3.9058 9.1801 118.2390 59.9608 29.3434 180.0465 22 V 3.6339 7.3156 116.9032 65.9792 31.7746 177.5956 23 C 4.0993 8.2419 116.5936 63.3621 28.0339 174.8189 24 D 4.2066 8.8497 117.2130 58.0387 40.0674 178.4387 25 Y 4.1141 7.9605 126.0180 60.9404 39.7794 178.5386 26 L 4.2173 8.0031 119.7931 57.4312 41.8616 178.7202 27 N 4.5143 8.4914 112.0887 53.9506 38.8432 175.1531 28 T 4.5709 7.6909 114.4317 60.4090 67.5535 172.1114 29 L 4.1651 7.0769 118.8782 54.7064 45.8953 174.7038 30 D 4.7463 7.9818 119.0620 52.5998 41.0438 175.7748 31 L 4.1149 8.1857 125.8117 56.8198 42.0091 178.5724 32 N 4.3609 8.2142 115.7243 56.0460 38.5668 176.0557 33 A 4.3376 7.8933 118.5095 52.4434 18.9008 176.9901 34 L 4.3326 7.2554 116.4894 53.1824 42.5366 176.5536 35 E 3.9815 8.8413 124.5062 56.2026 29.9646 176.3861 36 N 4.5199 8.6093 123.5949 54.1491 39.3163 174.1449 37 G 3.8302 8.5421 106.2554 43.9808 0.0000 172.8986 38 R 4.3891 8.3872 119.0915 57.3372 29.9351 175.1396 39 H 5.0313 9.4024 124.4755 54.3115 31.2135 173.8121 40 D 4.6945 8.7544 122.1249 53.5176 42.1024 175.8309 41 I 4.2071 9.2039 122.5415 62.3473 39.2779 175.0010 42 N 4.9071 7.4439 114.7619 51.9423 39.3512 173.1413 43 D 4.5157 8.8532 115.9681 57.6293 41.2307 177.3568 44 Q 4.3475 8.1506 116.4193 56.7899 29.7552 175.6915 45 I 4.9371 9.2890 119.8170 59.4791 40.2977 174.6468 46 Y 5.4153 8.3793 123.2931 55.4168 41.8386 173.8788 47 M 5.1852 10.2405 118.2327 53.6865 34.8193 174.0547 48 N 5.1593 8.9885 118.6182 51.8510 40.9904 173.9078 49 V 4.7206 8.2523 124.7976 61.9188 33.5093 174.6431 50 M 5.0658 10.6600 125.9683 53.2702 36.8055 175.2632 51 E 5.1206 8.4060 122.1669 54.3309 31.1093 174.5485 52 P 4.6060 0.0000 0.0000 61.0444 30.9939 175.6040 *61 K 4.1820 8.3687 121.4802 56.9601 33.5825 175.8019 62 A 4.3359 8.8097 124.3208 51.9863 19.8818 176.1702 63 E 5.1065 8.7654 121.8183 54.3041 32.6240 174.6098 64 L 4.9330 9.0106 127.2994 53.7044 46.2390 174.5435 65 H 5.3514 8.2346 117.9908 54.9769 33.1004 173.6816 66 H 4.1307 9.6185 117.0935 56.6877 30.2996 175.8273 67 E 4.7966 8.6770 116.7380 56.4959 32.5580 175.8023 68 Y 5.1760 8.2116 115.6481 55.8776 41.7861 175.2871 69 L 4.7651 9.4944 124.2468 54.9337 43.1377 175.1715 70 D 5.0671 8.6543 121.5741 53.6060 42.1952 175.5163 71 V 4.4885 9.3396 125.7132 61.7578 33.0827 174.4314 72 Q 4.8969 8.9800 127.6543 54.1748 31.8020 175.0157 73 V 4.9888 8.4734 121.9895 59.9529 35.7803 173.5091 74 L 4.8467 8.5305 128.5710 53.9032 43.4125 176.3839 75 I 4.2888 8.7245 126.7723 62.7633 39.2599 176.1617 76 R 4.4392 7.9462 118.0139 56.3778 34.5108 175.8453 77 G 4.1155 9.5206 107.0439 44.3619 0.0000 172.3797 78 T 4.9427 7.9917 114.0864 61.9632 72.1463 173.3305 79 E 4.7832 9.3507 125.3797 54.5789 33.9220 173.5755 80 N 5.3868 8.7699 122.0752 51.5693 42.4843 173.3496 81 I 4.9409 8.6013 123.4940 59.6568 41.2801 174.4675 82 E 5.2012 8.8098 127.0847 55.4436 31.1840 175.9881 83 V 4.5095 7.8752 121.5917 61.4585 35.3284 172.7844 84 G 4.4431 8.4634 114.1500 44.5040 0.0000 172.5758 85 A 4.8316 9.0889 126.5166 52.2366 20.2338 176.2106 86 T 4.6440 7.5396 112.1915 61.4341 70.5754 173.9291 87 Y 4.1745 8.5080 125.1785 56.9390 39.2285 174.4187 88 P 4.3791 0.0000 0.0000 62.5338 32.1709 175.5521 89 N 4.6700 8.6615 118.7851 52.9568 38.3565 175.6540 90 L 4.3820 8.5302 126.5106 56.3609 42.4561 179.3973 91 S 4.2627 8.2625 113.7507 61.3295 62.9004 176.1606 92 K 4.1070 7.9843 119.7229 58.9163 31.9870 177.3969 93 Y 4.1969 7.4172 114.0979 58.3529 38.5960 176.5728 94 E 4.1366 9.2072 121.2981 57.4531 30.0002 176.3903 95 D 5.4116 7.9480 127.5253 53.7677 43.6227 175.5289 96 Y 4.3296 8.1429 128.0707 58.0366 39.4103 174.2576 97 N 4.5896 7.5267 124.3945 51.5061 40.0636 175.2403 98 E 3.3177 8.1817 125.5568 58.5500 30.1707 178.3456 99 A 4.1123 7.9378 121.0445 54.6247 18.6487 178.2359 100 D 4.7925 8.1397 114.7340 56.2750 42.0127 176.6782 101 D 4.4066 8.3156 113.0728 53.5830 39.5040 170.9100 102 Y 5.7978 6.7840 119.8178 56.9879 42.6020 175.3317 103 Q 5.0440 8.7100 116.9966 54.7321 33.8905 173.7195 104 L 6.0436 8.3071 120.2845 52.8690 46.4745 174.3056 105 C 5.0333 8.0337 116.9097 59.6531 34.0780 174.4699 106 A 4.1638 8.6632 125.1239 53.9161 18.3449 177.3102 107 D 5.0308 7.5683 113.8043 52.3981 44.1232 175.1701 108 I 4.5579 7.9448 120.6799 59.5872 40.2334 175.2707 109 D 4.6064 8.5865 124.6863 54.9765 41.6309 176.3765 110 D 4.9627 8.8314 121.9962 54.8981 37.8096 174.2929 111 K 4.2814 7.2410 115.6348 57.5019 32.8757 176.1898 112 F 5.1809 9.1963 118.0969 55.8125 42.3599 173.0999 113 T 5.0955 8.8181 114.8445 61.8525 70.9366 173.9021 114 V 4.5246 9.1025 126.9510 61.5120 34.2572 174.4153 115 T 5.1274 8.4864 123.4001 62.2459 70.3339 173.5714 116 M 4.4728 9.9376 127.8774 54.3109 33.5260 175.8834 117 K 5.0243 8.4239 121.7184 53.5485 36.5049 173.9896 118 P 4.9386 0.0000 0.0000 63.3908 31.9028 177.0522 119 K 4.0294 8.8332 117.8778 56.9630 28.9990 175.2165 120 M 5.3622 7.6435 118.6261 53.3985 35.6635 174.7122 121 F 5.9081 9.4542 117.1704 54.1224 41.6998 173.1127 122 A 5.4284 8.4991 124.1027 49.4367 21.3458 175.0967 123 V 4.3281 7.7803 122.7701 61.4055 33.8961 174.4869 124 F 5.2914 8.8088 126.6118 55.9615 41.6910 174.7901 125 Y 4.8334 9.8178 122.6008 56.2906 39.5914 173.6001 126 P 5.0364 0.0000 0.0000 64.3753 31.7439 176.6539 127 Y 3.2280 8.1718 117.6246 58.0534 35.2800 169.0133 128 E 4.4734 8.1422 120.7269 54.6832 29.8825 174.8938 129 P 4.6684 0.0000 0.0000 63.2033 32.9838 175.0262 130 H 4.9821 8.4788 116.1028 54.7750 32.4709 172.9522 131 K 4.8106 8.7374 119.5877 53.6530 34.4364 173.1589 132 P 4.7881 0.0000 0.0000 62.7780 28.3881 175.4711 133 C 3.9454 8.1981 118.8997 61.5667 29.3284 174.4644 134 C 3.9409 8.2004 115.9077 59.2921 29.0954 172.0751 135 V 3.5211 8.1919 124.2190 65.4794 31.2711 176.2589 *143 I 4.2573 7.5381 119.2673 60.9993 38.8855 174.7837 144 K 5.0232 8.8632 125.3942 54.5265 35.5145 175.5476 145 K 5.0018 9.1844 123.1527 55.6553 36.9930 174.3603 146 L 5.1636 8.6718 120.6273 53.4263 46.0764 175.1490 147 V 4.7203 9.4333 124.6645 61.1459 34.6442 174.2794 148 V 4.1512 9.6327 129.4732 62.0411 32.9752 174.5639 149 K 5.0636 8.3575 127.7003 54.9366 33.9634 175.7912 150 V 4.6650 8.4320 124.3204 60.4865 35.2449 172.1931 151 P 4.5125 0.0000 0.0000 62.1498 32.3220 177.6588 152 V 3.7048 8.5169 123.8240 65.4328 31.7739 177.9667 153 K 3.9285 7.9556 118.4456 58.9093 31.9285 176.9657 154 L 4.4444 7.8391 116.8374 54.9262 42.7994 176.3142 155 I 3.9737 7.4619 123.0212 61.1170 37.8683 175.1082 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 4.80 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00 2 I 8.31 4.30 1.84 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.86 0.00 0.00 3 I 8.04 4.67 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.56 0.84 0.00 0.00 4 S 7.62 4.27 0.00 3.51 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 5 S 7.94 4.95 0.00 3.84 3.63 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 6 L 9.46 4.32 0.00 1.39 1.44 0.67 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.55 4.63 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 1.22 0.00 0.00 8 N 8.82 5.08 0.00 2.95 2.96 0.00 0.00 6.57 8.25 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 9 P 0.00 4.58 0.00 2.23 2.28 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 10 N 7.86 4.83 0.00 2.77 2.85 0.00 0.00 6.91 8.13 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 11 F 9.15 4.09 0.00 3.31 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 12 K 6.58 3.77 0.00 1.41 1.68 0.00 1.36 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 0.21 7.81 13 V 7.76 3.68 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 0.66 0.00 0.00 0.91 0.00 0.00 14 G 9.06 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 15 L 7.87 4.50 0.00 1.88 1.68 1.20 1.24 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 16 P 0.00 4.40 0.00 2.26 2.07 0.00 3.72 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 17 K 8.81 3.96 0.00 1.81 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.51 7.81 18 V 7.91 3.54 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 1.06 0.00 0.00 0.99 0.00 0.00 19 I 7.78 3.85 2.07 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 1.45 0.62 0.95 0.00 0.00 20 A 7.79 4.08 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 21 E 9.18 3.91 0.00 2.04 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 2.35 2.53 0.00 22 V 7.32 3.63 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 0.76 0.00 0.00 0.91 0.00 0.00 23 C 8.24 4.10 0.00 3.17 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 24 D 8.85 4.21 0.00 3.03 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.96 4.11 0.00 2.96 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 26 L 8.00 4.22 0.00 1.98 1.61 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.49 4.51 0.00 2.73 2.82 0.00 0.00 6.80 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 28 T 7.69 4.57 4.16 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 0.00 0.00 1.02 0.00 0.00 29 L 7.08 4.17 0.00 1.62 1.41 0.60 0.84 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 30 D 7.98 4.75 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.11 0.00 1.65 1.68 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.21 4.36 0.00 2.74 2.86 0.00 0.00 7.06 7.54 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 33 A 7.89 4.34 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 34 L 7.26 4.33 0.00 1.77 1.57 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.84 3.98 0.00 2.00 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 2.30 2.36 0.00 36 N 8.61 4.52 0.00 2.77 2.77 0.00 0.00 7.37 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 37 G 8.54 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 0.00 0.00 0.00 38 R 8.39 4.39 0.00 1.83 1.87 0.00 3.00 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 39 H 9.40 5.03 0.00 3.18 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.75 4.69 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.20 4.21 1.88 0.00 0.00 0.56 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 0.53 0.22 0.00 0.00 42 N 7.44 4.91 0.00 2.72 2.74 0.00 0.00 6.05 8.06 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 43 D 8.85 4.52 0.00 2.70 2.79 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 44 Q 8.15 4.35 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 45 I 9.29 4.94 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.13 0.86 0.00 0.00 46 Y 8.38 5.42 0.00 3.10 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 47 M 10.24 5.19 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 48 N 8.99 5.16 0.00 2.68 2.81 0.00 0.00 6.65 8.48 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 49 V 8.25 4.72 2.22 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 1.09 0.00 0.00 0.84 0.00 0.00 50 M 10.66 5.07 0.00 1.96 1.87 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 2.52 2.48 0.00 51 E 8.41 5.12 0.00 2.06 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 2.19 2.25 0.00 52 P 0.00 4.61 0.00 2.07 1.94 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 *61 K 8.37 4.18 0.00 1.63 1.73 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 62 A 8.81 4.34 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 63 E 8.77 5.11 0.00 1.85 1.43 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 2.21 2.12 0.00 64 L 9.01 4.93 0.00 1.43 1.39 0.18 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.23 5.35 0.00 3.22 3.58 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.62 4.13 0.00 3.21 3.22 0.00 5.62 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 67 E 8.68 4.80 0.00 2.42 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 0.00 2.42 2.48 0.00 68 Y 8.21 5.18 0.00 2.72 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 69 L 9.49 4.77 0.00 1.67 1.87 0.84 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.65 5.07 0.00 2.88 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 71 V 9.34 4.49 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 0.90 0.00 0.00 0.86 0.00 0.00 72 Q 8.98 4.90 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 73 V 8.47 4.99 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 1.18 0.00 0.00 0.89 0.00 0.00 74 L 8.53 4.85 0.00 1.82 1.51 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.72 4.29 1.98 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 0.73 0.91 0.00 0.00 76 R 7.95 4.44 0.00 1.72 1.76 0.00 3.08 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 77 G 9.52 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.99 4.94 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 1.27 0.00 0.00 79 E 9.35 4.78 0.00 1.99 1.73 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 2.21 2.29 0.00 80 N 8.77 5.39 0.00 2.65 2.68 0.00 0.00 6.82 7.39 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 81 I 8.60 4.94 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.95 0.00 0.00 82 E 8.81 5.20 0.00 1.87 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 2.29 2.07 0.00 83 V 7.88 4.51 1.75 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 0.02 0.00 0.00 0.64 0.00 0.00 84 G 8.46 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 0.00 0.00 0.00 0.00 85 A 9.09 4.83 1.54 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 86 T 7.54 4.64 4.36 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 1.30 0.00 0.00 87 Y 8.51 4.17 0.00 2.81 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 88 P 0.00 4.38 0.00 1.99 1.95 0.00 2.56 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 89 N 8.66 4.67 0.00 2.82 2.84 0.00 0.00 7.01 6.66 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 90 L 8.53 4.38 0.00 1.80 1.74 0.93 0.59 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 91 S 8.26 4.26 0.00 4.03 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 92 K 7.98 4.11 0.00 1.68 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.44 7.81 93 Y 7.42 4.20 0.00 3.01 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 94 E 9.21 4.14 0.00 2.21 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 2.30 2.20 0.00 95 D 7.95 5.41 0.00 2.78 2.66 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 96 Y 8.14 4.33 0.00 2.96 2.79 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 97 N 7.53 4.59 0.00 2.00 1.42 0.00 0.00 7.15 6.98 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 98 E 8.18 3.32 0.00 1.91 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 2.12 2.16 0.00 99 A 7.94 4.11 1.26 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 0.00 0.00 0.00 100 D 8.14 4.79 0.00 2.98 3.02 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 0.00 0.00 0.00 101 D 8.32 4.41 0.00 2.73 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 0.00 102 Y 6.78 5.80 0.00 3.17 3.25 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 0.00 103 Q 8.71 5.04 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 104 L 8.31 6.04 0.00 1.83 1.64 1.06 1.20 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 0.00 105 C 8.03 5.03 0.00 2.18 1.70 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 0.00 106 A 8.66 4.16 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 0.00 107 D 7.57 5.03 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 4.56 1.85 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 1.40 0.57 0.91 0.00 0.00 109 D 8.59 4.61 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.83 4.96 0.00 2.94 2.94 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 0.00 0.00 0.00 111 K 7.24 4.28 0.00 1.74 1.81 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 112 F 9.20 5.18 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 0.00 113 T 8.82 5.10 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 1.26 0.00 0.00 114 V 9.10 4.52 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 1.03 0.00 0.00 1.14 0.00 0.00 115 T 8.49 5.13 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 1.33 0.00 0.00 116 M 9.94 4.47 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 117 K 8.42 5.02 0.00 1.63 1.68 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 118 P 0.00 4.94 0.00 2.03 2.08 0.00 3.80 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 119 K 8.83 4.03 0.00 2.00 1.96 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.43 7.81 120 M 7.64 5.36 0.00 2.00 2.22 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 2.48 2.40 0.00 121 F 9.45 5.91 0.00 2.90 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 0.00 122 A 8.50 5.43 0.61 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 0.00 0.00 123 V 7.78 4.33 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 0.60 0.00 0.00 0.96 0.00 0.00 124 F 8.81 5.29 0.00 2.76 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 0.00 125 Y 9.82 4.83 0.00 3.03 2.99 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 0.00 126 P 0.00 5.04 0.00 2.36 2.17 0.00 4.11 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 127 Y 8.17 3.23 0.00 3.11 2.71 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 0.00 0.00 0.00 128 E 8.14 4.47 0.00 2.12 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 2.48 2.45 0.00 129 P 0.00 4.67 0.00 2.11 2.27 0.00 3.82 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 2.10 1.98 0.00 130 H 8.48 4.98 0.00 2.55 2.39 0.00 5.24 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.74 4.81 0.00 1.63 1.68 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.35 7.81 132 P 0.00 4.79 0.00 1.93 2.31 0.00 3.67 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 2.05 2.18 0.00 133 C 8.20 3.95 0.00 3.00 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 0.00 134 C 8.20 3.94 0.00 3.07 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 0.00 135 V 8.19 3.52 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 0.86 0.00 0.00 0.94 0.00 0.00 *143 I 7.54 4.26 1.87 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 1.35 0.63 0.92 0.00 0.00 144 K 8.86 5.02 0.00 1.67 1.66 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81 145 K 9.18 5.00 0.00 1.94 1.88 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.39 7.81 146 L 8.67 5.16 0.00 1.72 1.47 0.90 0.85 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 0.00 147 V 9.43 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 0.96 0.00 0.00 0.96 0.00 0.00 148 V 9.63 4.15 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 0.79 0.00 0.00 0.89 0.00 0.00 149 K 8.36 5.06 0.00 0.82 1.22 0.00 1.31 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.01 1.24 7.81 150 V 8.43 4.66 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 0.97 0.00 0.00 0.88 0.00 0.00 151 P 0.00 4.51 0.00 1.93 1.55 0.00 3.67 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 1.95 1.77 0.00 152 V 8.52 3.70 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 1.08 0.00 0.00 1.05 0.00 0.00 153 K 7.96 3.93 0.00 1.73 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.41 7.81 154 L 7.84 4.44 0.00 1.63 1.69 0.88 0.66 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 0.00 155 I 7.46 3.97 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.