NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.6353 0.0000 0.0000 62.0142 33.0470 176.0050 4 K 4.0787 8.8324 122.9665 56.0522 33.5053 174.4173 5 L 5.2575 9.2563 123.8490 53.1318 45.3535 175.1417 6 I 5.0191 8.6401 122.7541 59.7317 41.2794 175.1134 7 L 5.4461 9.1381 126.9139 52.3300 44.6620 175.5551 *9 S 4.8149 8.3024 113.9320 58.1356 63.9038 173.2991 10 H 4.1370 9.3369 119.0992 56.9797 29.4086 177.8473 11 G 3.7157 8.4405 111.7648 46.6317 0.0000 175.0395 12 R 4.1841 8.1561 115.5721 54.7005 29.4898 176.2281 *14 A 4.2388 8.1433 124.8608 51.9073 20.9976 178.7057 15 E 3.9392 8.2044 115.5671 59.7426 29.5774 178.8106 16 E 4.0754 8.3440 118.2941 59.3182 29.4451 179.2802 17 T 3.8908 7.8829 115.6345 66.4081 68.5257 176.1163 18 L 3.9051 8.0660 121.9427 58.1217 41.9443 178.8495 19 A 4.1652 7.6755 119.2524 55.4141 18.3907 179.4198 20 S 4.2183 8.3179 112.9459 62.0767 63.1051 176.7368 21 T 4.0288 8.1915 118.7478 66.3144 68.9249 176.2667 22 Q 4.5710 8.0659 121.5099 55.7516 26.4173 177.8386 *24 I 4.1051 7.4799 121.4222 60.8901 39.4149 177.6323 25 V 4.3029 7.8838 109.5884 59.9202 33.9934 178.0220 26 G 3.7812 7.9537 108.9983 46.3683 0.0000 175.8841 27 E 4.2169 8.7927 121.1599 57.9693 29.7657 177.9098 28 L 3.9026 7.9250 118.2996 57.1023 41.8060 176.8780 29 A 4.3987 7.6698 121.3514 51.3809 17.6123 176.5979 30 D 4.7976 8.2400 123.2620 53.4824 40.0856 175.8493 31 A 4.3730 8.1151 120.5157 52.8545 19.2642 178.3519 32 A 4.2625 8.5938 122.4002 52.0361 20.0257 176.6473 33 I 4.9683 8.1591 119.3714 59.4354 40.5404 175.1897 34 V 4.2339 8.6763 127.0098 61.6912 32.9535 174.6178 35 S 5.0545 8.3251 127.0159 57.0355 65.6164 173.1234 *37 T 4.1102 8.0810 110.0317 61.9740 69.5004 174.5270 38 A 4.0119 8.3967 123.9850 54.8860 18.6169 178.7838 39 E 4.0985 8.1357 116.0778 59.2538 30.3997 177.6892 40 D 4.3445 8.3627 119.1978 57.1078 41.3476 178.0568 41 G 4.0885 7.5656 107.0402 45.1842 0.0000 173.1512 42 L 3.9036 8.4771 118.7214 58.3515 42.0883 180.0915 43 S 4.2484 8.0711 113.9018 61.3446 63.0950 176.4411 44 G 3.5808 8.1821 109.4165 47.7219 0.0000 175.7881 45 T 3.8645 7.8812 118.3232 66.4991 68.4246 176.5546 46 Q 4.0038 8.4630 120.0689 59.1572 28.7704 179.1437 47 A 4.0156 8.1888 121.5882 54.9085 18.3822 179.8988 48 K 3.9090 8.1074 117.0945 59.5814 32.1029 179.4052 49 L 4.0157 8.0634 120.3841 58.0512 41.9276 178.7853 50 A 3.9923 8.4471 120.9666 55.0798 18.1993 179.4265 51 A 3.9376 8.1717 119.3471 55.2621 18.5135 180.0661 52 I 3.6435 7.3868 116.8966 64.6309 37.3002 178.7366 53 L 3.7662 8.0082 119.9651 57.2872 41.0542 179.5217 54 K 4.1103 8.1511 119.4797 59.4592 32.2637 178.3543 55 E 4.0519 7.9243 118.0925 58.7645 29.5699 178.0778 56 A 4.2131 7.8255 119.8961 54.0963 19.3443 178.7555 57 G 3.8734 8.2395 105.3308 45.3832 0.0000 173.4161 58 N 4.8525 8.6195 113.5486 52.8392 37.2035 175.4780 59 V 4.5286 7.2134 112.4375 58.1126 35.6249 174.2119 60 P 4.6041 0.0000 0.0000 63.9167 32.2682 175.4104 61 T 5.0531 8.9531 119.8473 61.8927 73.5978 172.5296 62 L 5.0773 9.1292 127.4553 53.2977 45.2463 175.0511 63 V 4.5344 8.7768 127.1131 61.7891 33.2702 174.5038 64 L 5.0268 8.9339 128.7314 53.5798 42.9627 175.4845 65 A 4.7593 8.9560 127.1841 50.2219 21.3296 177.4185 66 D 4.3015 8.7203 120.1770 55.9282 40.4689 174.4639 67 L 4.1411 7.6605 124.9057 53.9866 44.4710 176.8917 *69 G 3.9636 8.7492 105.1884 44.4311 0.0000 173.2628 70 G 3.9110 7.8403 107.1672 44.2695 0.0000 174.6677 71 T 3.8818 8.4810 118.2520 66.1909 68.4748 174.9149 72 P 4.1833 0.0000 0.0000 65.8568 31.1990 178.1968 73 C 4.1329 7.9568 115.3960 62.5143 31.3603 174.7822 74 N 4.4714 8.5798 118.6042 56.2591 37.8808 177.5428 75 V 3.6890 7.9431 118.8235 65.1588 32.9404 177.6548 76 A 4.2241 7.5531 120.8031 51.8621 15.8513 177.1931 *79 A 4.0808 7.8649 130.9898 51.4711 20.1961 178.8120 *81 G 3.9245 7.8052 109.8084 45.4074 0.0000 173.5252 82 T 4.0391 8.0373 115.1829 64.6252 69.9146 174.3270 83 Y 4.4685 7.6380 121.4512 55.4645 38.2726 174.5404 84 P 4.4817 0.0000 0.0000 64.4792 32.0825 177.1516 85 Q 4.5526 8.1165 117.5279 55.5141 29.1769 173.8142 86 L 5.0617 7.6638 120.4706 54.1896 43.1377 176.0222 87 R 4.8853 9.0428 123.9696 54.4861 34.7788 174.3995 88 V 4.8771 8.2208 119.3425 61.3804 34.8887 174.4470 89 V 4.4879 9.0548 127.1608 61.1269 34.3046 174.6726 90 A 4.7914 8.8139 129.2200 50.7891 21.1662 176.5766 91 G 3.7665 8.3605 104.7894 45.5946 0.0000 173.3946 92 L 3.7119 7.3067 120.2813 55.0367 41.9672 176.0687 93 N 5.1273 8.2916 121.8062 50.4733 40.8682 174.0705 94 L 4.0028 8.4357 119.2917 58.1152 42.3711 179.1973 95 A 4.1633 7.9798 119.1018 52.5804 18.1381 178.7185 *97 A 4.2626 8.1399 124.0362 53.9277 20.8294 180.2495 98 I 3.7217 8.0480 116.6588 64.7381 37.1959 178.6445 99 E 4.0933 8.5339 119.4000 59.1873 29.0035 179.2741 100 A 4.0591 7.9951 119.6445 55.0930 18.5930 178.9981 101 A 4.0891 7.9740 118.3904 54.7795 18.5799 179.3647 102 V 4.1177 7.3809 107.6116 60.5996 32.7355 176.5321 103 S 4.2181 7.5641 114.8851 57.6496 62.6421 171.7527 104 P 4.5817 0.0000 0.0000 62.6029 31.5067 176.0875 105 V 3.5763 7.5520 120.1850 63.4345 31.8517 175.3453 106 E 4.1050 8.8022 128.2693 58.7723 30.1651 176.7852 107 N 4.5279 7.9274 117.7143 53.1954 40.4082 175.9050 108 V 3.6417 8.4127 127.9440 64.9604 31.6868 178.2870 109 D 4.3611 8.1441 119.2050 57.1635 40.7643 178.1206 110 E 3.9867 8.7680 120.1103 59.0500 29.5343 178.6498 111 L 4.0423 8.3323 120.5836 57.9180 42.1332 178.6774 112 A 3.9814 8.1908 120.5393 55.2508 18.3808 179.4176 113 A 3.9479 8.0492 119.1839 55.4936 18.3735 179.2430 114 Y 4.1076 8.2106 117.9633 60.9981 38.8490 178.3059 115 L 3.7576 8.3737 120.1111 57.6172 41.6505 179.5905 116 T 3.8333 8.0818 116.3791 66.6083 68.3337 176.6103 117 Q 3.9539 7.9666 119.5435 59.1554 28.7605 178.4032 118 I 3.5726 7.7840 122.2831 64.1285 36.9316 178.5981 119 G 3.6012 7.9714 105.1913 47.9040 0.0000 175.4387 120 Q 4.1357 8.0246 120.3631 58.8752 28.5673 178.9002 121 S 4.2162 8.1389 114.6682 60.8283 62.9120 175.9043 122 A 4.3366 7.5724 121.8644 52.3955 18.3463 177.1913 123 V 4.0620 7.1582 117.4839 61.6467 31.6620 175.1025 124 T 4.7020 7.9071 116.0715 60.3584 71.5852 173.3473 125 T 4.1124 8.2435 119.6656 63.1395 69.2819 174.7961 126 I 3.9988 8.2425 127.1715 60.5665 37.0107 175.3143 127 D 4.7891 8.4487 126.5968 52.3323 41.4559 176.3107 128 L 4.3389 8.4960 124.5934 53.4458 42.7701 175.6318 129 P 4.3999 0.0000 0.0000 62.5176 30.9513 175.8810 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 3 P 0.00 4.64 0.00 1.96 2.05 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.25 0.00 4 K 8.83 4.08 0.00 1.68 1.70 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.47 7.81 5 L 9.26 5.26 0.00 1.56 1.53 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.64 5.02 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.94 0.00 0.00 7 L 9.14 5.45 0.00 1.55 1.58 0.92 0.61 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 *9 S 8.30 4.81 0.00 4.17 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 10 H 9.34 4.14 0.00 3.09 3.30 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.44 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.16 4.18 0.00 1.88 1.89 0.00 3.16 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 *14 A 8.14 4.24 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.20 3.94 0.00 2.04 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 2.38 2.41 0.00 16 E 8.34 4.08 0.00 2.04 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 2.47 2.49 0.00 17 T 7.88 3.89 4.39 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 1.21 0.00 0.00 18 L 8.07 3.91 0.00 1.76 1.81 0.95 0.80 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 19 A 7.68 4.17 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 20 S 8.32 4.22 0.00 3.98 3.94 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 21 T 8.19 4.03 4.40 0.00 0.00 0.00 0.00 0.00 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 22 Q 8.07 4.57 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.39 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 *24 I 7.48 4.11 2.02 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 1.41 0.48 0.91 0.00 0.00 25 V 7.88 4.30 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 0.70 0.00 0.00 1.01 0.00 0.00 26 G 7.95 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.79 4.22 0.00 1.97 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 2.31 2.27 0.00 28 L 7.93 3.90 0.00 1.82 1.74 0.93 0.79 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 29 A 7.67 4.40 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 30 D 8.24 4.80 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.37 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 32 A 8.59 4.26 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 33 I 8.16 4.97 1.86 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 1.22 0.98 0.93 0.00 0.00 34 V 8.68 4.23 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 0.76 0.00 0.00 0.91 0.00 0.00 35 S 8.33 5.05 0.00 3.86 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 *37 T 8.08 4.11 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 1.29 0.00 0.00 38 A 8.40 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.14 4.10 0.00 1.94 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 2.29 2.27 0.00 40 D 8.36 4.34 0.00 2.95 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 41 G 7.57 4.09 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 0.00 0.00 0.00 42 L 8.48 3.90 0.00 1.77 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.07 4.25 0.00 4.09 4.11 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 44 G 8.18 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 45 T 7.88 3.86 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 46 Q 8.46 4.00 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 47 A 8.19 4.02 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 48 K 8.11 3.91 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.55 7.81 49 L 8.06 4.02 0.00 1.75 1.65 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.45 3.99 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 51 A 8.17 3.94 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 52 I 7.39 3.64 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.05 0.85 0.00 0.00 53 L 8.01 3.77 0.00 1.38 0.47 0.59 0.48 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 54 K 8.15 4.11 0.00 1.86 1.93 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 55 E 7.92 4.05 0.00 2.22 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 2.33 2.47 0.00 56 A 7.83 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.24 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.62 4.85 0.00 2.74 2.81 0.00 0.00 6.61 7.71 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 59 V 7.21 4.53 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 0.90 0.00 0.00 0.92 0.00 0.00 60 P 0.00 4.60 0.00 2.07 2.01 0.00 3.57 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 2.12 2.36 0.00 61 T 8.95 5.05 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 1.19 0.00 0.00 62 L 9.13 5.08 0.00 1.69 1.48 0.95 0.75 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 63 V 8.78 4.53 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 0.94 0.00 0.00 0.90 0.00 0.00 64 L 8.93 5.03 0.00 1.62 1.59 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.96 4.76 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 66 D 8.72 4.30 0.00 2.75 2.96 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 67 L 7.66 4.14 0.00 1.71 1.40 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.75 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 70 G 7.84 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.48 3.88 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 1.19 0.00 0.00 72 P 0.00 4.18 0.00 2.10 2.05 0.00 3.36 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 73 C 7.96 4.13 0.00 3.01 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 74 N 8.58 4.47 0.00 2.89 2.85 0.00 0.00 6.64 7.22 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 75 V 7.94 3.69 2.27 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 0.84 0.00 0.00 0.95 0.00 0.00 76 A 7.55 4.22 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 *79 A 7.86 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.81 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 82 T 8.04 4.04 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 83 Y 7.64 4.47 0.00 3.04 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 84 P 0.00 4.48 0.00 2.19 2.18 0.00 3.78 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 2.01 1.98 0.00 85 Q 8.12 4.55 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 86 L 7.66 5.06 0.00 1.70 1.83 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.04 4.89 0.00 1.72 1.76 0.00 3.30 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 88 V 8.22 4.88 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 0.78 0.00 0.00 0.94 0.00 0.00 89 V 9.05 4.49 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 0.84 0.00 0.00 0.94 0.00 0.00 90 A 8.81 4.79 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 91 G 8.36 3.77 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 0.00 0.00 0.00 92 L 7.31 3.71 0.00 1.73 1.64 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.29 5.13 0.00 2.77 2.73 0.00 0.00 6.23 7.79 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 94 L 8.44 4.00 0.00 1.74 1.69 0.92 0.89 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 95 A 7.98 4.16 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 *97 A 8.14 4.26 1.33 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 0.00 0.00 0.00 98 I 8.05 3.72 2.01 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 1.52 1.11 0.92 0.00 0.00 99 E 8.53 4.09 0.00 1.95 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 2.49 2.41 0.00 100 A 8.00 4.06 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 0.00 101 A 7.97 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 4.12 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 0.81 0.00 0.00 1.07 0.00 0.00 103 S 7.56 4.22 0.00 4.11 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 0.00 104 P 0.00 4.58 0.00 2.18 2.10 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 105 V 7.55 3.58 2.03 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 0.76 0.00 0.00 0.71 0.00 0.00 106 E 8.80 4.11 0.00 1.95 1.93 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 2.26 2.28 0.00 107 N 7.93 4.53 0.00 2.79 2.67 0.00 0.00 6.91 7.71 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 0.00 108 V 8.41 3.64 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 0.85 0.00 0.00 0.99 0.00 0.00 109 D 8.14 4.36 0.00 2.90 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 0.00 110 E 8.77 3.99 0.00 2.03 2.11 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 2.29 2.31 0.00 111 L 8.33 4.04 0.00 1.89 1.82 1.03 1.46 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 0.00 112 A 8.19 3.98 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 0.00 113 A 8.05 3.95 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 0.00 114 Y 8.21 4.11 0.00 3.09 3.23 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 0.00 115 L 8.37 3.76 0.00 1.76 1.65 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.08 3.83 4.39 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 1.20 0.00 0.00 117 Q 7.97 3.95 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 118 I 7.78 3.57 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.44 0.81 0.00 0.00 119 G 7.97 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 4.14 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 121 S 8.14 4.22 0.00 3.96 3.90 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 0.00 122 A 7.57 4.34 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 0.00 123 V 7.16 4.06 2.18 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 0.82 0.00 0.00 0.91 0.00 0.00 124 T 7.91 4.70 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 1.24 0.00 0.00 125 T 8.24 4.11 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 1.24 0.00 0.00 126 I 8.24 4.00 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 1.41 0.76 0.91 0.00 0.00 127 D 8.45 4.79 0.00 2.63 2.61 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 0.00 128 L 8.50 4.34 0.00 1.63 1.59 0.92 1.10 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 0.00 129 P 0.00 4.40 0.00 2.06 1.95 0.00 3.97 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.