NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2568 8.3344 116.7848 58.4909 65.3944 173.1471 -7 D 5.1323 7.7829 125.1683 52.7367 41.5996 174.6181 -6 P 4.1006 0.0000 0.0000 65.6906 32.2342 177.7510 -5 S 4.9397 8.2125 110.9950 58.7849 63.2504 174.5467 -4 S 4.7607 8.4140 117.0567 58.3708 64.1449 176.0124 -3 I 4.2838 7.8284 122.4327 62.8878 37.8504 177.6788 -2 N 4.9841 7.5454 115.9870 52.3193 39.5277 176.4218 -1 G 3.9034 7.8469 105.2673 44.8066 0.0000 172.1147 -7 G 4.4523 7.7729 113.5683 43.6367 0.0000 173.2181 -6 I 3.8506 9.3509 128.5043 63.4906 38.9342 176.8510 -5 V 4.5897 7.9325 114.4950 62.6849 32.3504 176.2467 -4 V 4.4107 8.1340 120.5567 62.2708 33.2449 177.7124 -3 A 4.4338 8.0684 126.3327 54.2878 18.1504 179.0789 -2 M 4.7241 7.4254 116.8870 54.6193 33.5277 177.5218 -1 T 4.2934 7.6669 110.0673 61.5066 67.8089 171.9147 8 G 4.0277 8.9705 111.9263 43.7796 0.0000 171.1888 9 K 4.1766 8.5658 120.6741 57.2548 31.0883 176.2818 10 D 4.4836 8.7583 127.5294 54.6603 38.4317 173.5320 11 C 4.6988 7.4391 110.9989 57.6007 32.6094 172.6607 12 V 4.9964 7.9719 112.2829 59.7485 35.3256 174.7966 13 A 4.7091 8.3810 122.8439 50.3873 22.3158 175.4247 14 I 5.3821 8.0647 119.3849 59.6774 41.0360 173.8900 15 A 4.9873 8.5251 129.5862 50.6947 22.5193 174.2878 16 C 5.3330 8.2715 112.3235 57.2329 32.6701 173.5997 17 D 4.7664 8.5215 120.2257 52.9004 41.4025 175.6850 18 L 5.0572 8.2824 115.0379 53.5692 43.5944 176.7688 19 R 4.5764 8.1965 119.7546 56.3451 31.3165 175.9392 20 L 4.3106 8.7377 126.6195 54.0406 45.0675 174.7522 21 G 4.5485 8.4682 113.1356 44.4701 0.0000 172.0913 22 S 4.5604 8.6201 113.6354 56.6730 63.3638 175.5746 23 Q 3.6832 8.1128 128.8704 56.1137 26.2224 176.0847 24 S 4.1461 8.8050 118.4599 61.9529 63.2585 174.6388 25 L 3.9753 7.8643 123.9757 54.4417 41.9961 175.8204 26 G 4.0090 8.6266 116.1703 45.3985 0.0000 172.7032 27 V 4.1741 8.4489 124.0794 63.7139 33.5823 175.8046 28 S 4.7113 7.6485 112.2334 56.9020 65.1904 173.2169 29 N 5.2870 8.7774 122.5833 52.6958 37.3790 174.7090 30 K 4.5521 8.0697 114.1051 56.6656 34.6165 177.2236 31 F 4.4084 8.4570 124.9452 57.6419 38.4465 174.0219 32 E 4.1505 8.1656 123.3818 55.5002 30.4511 176.4367 33 K 4.3757 8.3819 120.6493 55.9678 34.0686 174.9963 34 I 4.7727 7.0404 120.6480 59.4922 39.7159 174.7316 35 F 5.0095 9.3397 124.6665 56.0470 43.8761 173.2094 36 H 5.0008 7.4134 113.1341 54.1486 31.8589 172.6414 *38 Y 4.6840 7.9460 116.5701 58.8774 39.0850 175.6807 39 G 3.9494 8.1795 117.4076 47.1959 0.0000 172.8254 40 H 4.7475 8.8499 119.5492 54.7156 28.7882 173.5995 41 V 4.3177 7.2438 120.9021 61.6835 33.2185 174.5299 42 F 4.9944 9.5737 126.7517 55.7303 41.8871 174.5323 43 L 5.2727 9.5116 124.5694 53.4754 45.1508 175.1291 44 G 4.5725 9.4737 114.1985 44.6910 0.0000 172.3294 45 I 5.1413 8.9100 124.7827 59.7659 40.4767 175.2540 46 T 4.4784 8.3817 117.7513 60.2728 71.5640 172.4065 47 G 4.1527 8.8050 105.3985 43.9817 0.0000 173.4198 48 L 4.1089 9.0876 124.7013 54.9521 42.6910 178.1210 49 A 4.1108 10.4492 128.7301 55.9214 18.1385 178.8083 50 T 3.8829 8.0648 110.7216 65.8116 67.2698 175.6680 51 D 4.4643 8.1777 120.1098 57.0719 40.9503 178.6108 52 V 3.6687 8.0508 118.9621 66.3674 31.5705 178.2306 53 T 3.8209 8.4902 115.6586 67.0226 68.3926 176.6396 54 T 3.7727 8.1973 117.9209 66.7077 68.4407 176.6049 55 L 3.3042 8.1696 120.9192 57.4379 41.6021 178.9917 56 N 4.3665 7.6461 118.2203 56.2396 38.8455 176.7378 57 E 3.9527 8.0570 119.7901 59.3804 29.3480 179.2211 58 M 3.7517 7.6247 118.2690 58.6859 32.3202 178.4470 59 F 4.3621 7.8973 118.1838 60.0922 38.8485 177.7957 60 R 3.8709 7.9622 120.0098 58.9909 30.0765 177.5004 61 Y 4.0704 7.7821 118.8325 61.0006 38.6582 178.5890 62 K 4.2646 8.6526 119.5746 59.8481 32.3291 179.6290 63 T 3.9345 8.4450 110.4142 64.5600 68.5990 176.4805 64 N 4.4422 8.5772 119.9042 56.3905 38.6483 177.3633 65 L 3.9907 7.8200 120.0950 57.7209 41.6276 178.9546 66 Y 3.9787 8.3160 119.7341 60.6650 38.6974 178.1598 67 K 4.3520 8.2606 121.8379 59.0186 32.0652 178.6817 68 L 3.9610 7.7056 118.3356 57.5169 41.5831 179.3327 69 K 4.1105 7.7146 117.1443 59.3437 32.9746 179.1075 70 E 3.8728 8.4684 118.7029 56.8320 29.0581 177.3722 71 E 4.3751 8.4422 117.3889 56.4794 27.3290 174.2312 72 R 4.5577 7.1109 109.6794 54.9085 32.4834 174.0409 73 A 4.2293 8.5146 123.2727 51.8725 19.1139 177.6010 74 I 3.7762 8.1393 121.6638 61.0559 38.7698 175.7759 75 E 4.6210 8.2671 124.4109 54.0970 32.5746 175.4436 76 P 4.2912 0.0000 0.0000 66.1637 31.3748 178.5802 77 E 3.9746 8.2552 116.3789 60.0035 29.4479 179.6559 78 T 3.8658 7.8470 114.9232 66.5878 68.6203 176.3728 79 F 4.0152 8.6000 122.9974 61.4845 39.2635 177.1557 80 T 3.6298 8.2095 115.6789 66.8002 68.1811 176.5247 81 Q 3.9043 7.7752 119.4315 58.7417 28.5996 178.6540 82 L 3.8328 7.6883 121.3897 57.9572 42.0744 179.1820 83 V 3.1836 7.4244 118.5292 65.8126 31.3714 177.6526 84 S 4.0654 8.1226 113.3779 61.6006 62.3597 176.3087 85 S 4.1673 8.2914 116.9089 61.6135 62.4669 176.4288 86 S 4.1806 8.1477 118.0416 61.3130 62.8147 176.5096 87 L 4.2465 8.1770 121.5542 58.0879 41.4951 178.9543 88 Y 3.7752 8.2057 118.8374 59.8368 38.4539 177.1011 89 E 4.2009 7.9523 118.7251 57.9316 30.0492 176.8876 90 R 4.4506 7.6751 118.4303 55.9782 31.0572 177.9423 91 R 3.1612 7.0014 120.7744 58.8754 30.0635 177.3124 92 F 4.9433 8.2134 114.8186 55.1832 39.7158 176.0401 93 G 4.9890 6.7804 121.0358 45.7873 0.0000 170.5104 94 P 4.0927 0.0000 0.0000 62.1719 32.6164 175.8543 95 Y 4.1367 7.7401 116.5595 57.8048 38.8734 176.7616 96 F 4.7220 8.9794 124.3094 56.3384 37.5353 174.8469 97 V 5.0556 7.8335 113.7992 59.5899 36.5435 176.2061 98 G 4.1730 9.0159 108.7113 43.7377 0.0000 170.1268 99 P 4.9552 0.0000 0.0000 62.8426 32.8942 175.7850 100 V 4.4820 9.0070 122.1577 61.3566 34.9846 173.9413 101 V 5.1154 8.6480 127.1175 61.2139 33.7415 174.4705 102 A 4.7735 9.4045 128.4855 49.7306 22.7963 175.4142 103 G 4.2969 7.8204 108.0581 46.7179 0.0000 171.7608 104 I 4.6443 8.1171 120.1395 58.9094 39.7359 175.6769 105 N 5.1583 8.7860 121.5446 53.5214 38.7514 174.3309 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 S 8.33 4.26 0.00 3.84 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 -7 D 7.78 5.13 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 1.31 1.41 0.00 3.30 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 0.75 1.59 0.00 -5 S 8.21 4.94 0.00 4.04 3.95 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 0.00 0.00 0.00 -4 S 8.41 4.76 0.00 3.87 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 -3 I 7.83 4.28 1.83 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 1.38 2.18 0.87 0.00 0.00 -2 N 7.55 4.98 0.00 2.87 2.69 0.00 0.00 7.59 7.58 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 -1 G 7.85 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 0.00 0.00 0.00 -7 G 7.77 4.45 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 0.00 -6 I 9.35 3.85 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 0.80 0.91 0.00 0.00 -5 V 7.93 4.59 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 8.13 4.41 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 0.92 0.00 0.00 0.93 0.00 0.00 -3 A 8.07 4.43 1.30 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 0.00 0.00 0.00 -2 M 7.43 4.72 0.00 2.15 1.95 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 2.63 2.48 0.00 -1 T 7.67 4.29 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 8 G 8.97 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 9 K 8.57 4.18 0.00 1.70 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.76 4.48 0.00 2.84 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 11 C 7.44 4.70 0.00 2.97 2.95 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 0.00 0.00 0.00 12 V 7.97 5.00 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 0.76 0.00 0.00 0.89 0.00 0.00 13 A 8.38 4.71 1.11 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 14 I 8.06 5.38 1.82 0.00 0.00 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 1.27 1.05 0.77 0.00 0.00 15 A 8.53 4.99 1.15 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 0.00 0.00 0.00 0.00 0.00 16 C 8.27 5.33 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.52 4.77 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 18 L 8.28 5.06 0.00 1.61 1.73 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.20 4.58 0.00 1.85 2.02 0.00 3.22 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 20 L 8.74 4.31 0.00 1.54 1.40 0.78 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.47 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.62 4.56 0.00 3.71 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 23 Q 8.11 3.68 0.00 2.24 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 24 S 8.80 4.15 0.00 3.97 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 25 L 7.86 3.98 0.00 1.73 1.77 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.63 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 0.00 0.00 0.00 27 V 8.45 4.17 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 0.78 0.00 0.00 0.97 0.00 0.00 28 S 7.65 4.71 0.00 3.88 3.67 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 29 N 8.78 5.29 0.00 2.85 2.86 0.00 0.00 5.86 7.13 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 30 K 8.07 4.55 0.00 1.69 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.46 4.41 0.00 3.22 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 32 E 8.17 4.15 0.00 1.61 1.61 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 2.23 2.41 0.00 33 K 8.38 4.38 0.00 1.67 2.01 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.67 7.81 34 I 7.04 4.77 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.99 0.00 0.00 35 F 9.34 5.01 0.00 2.70 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 36 H 7.41 5.00 0.00 1.96 1.76 0.00 5.85 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 *38 Y 7.95 4.68 0.00 2.69 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.18 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.85 4.75 0.00 3.33 3.39 0.00 5.51 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.24 4.32 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 0.74 0.00 0.00 0.73 0.00 0.00 42 F 9.57 4.99 0.00 3.12 2.95 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 0.00 0.00 0.00 43 L 9.51 5.27 0.00 2.08 1.83 1.19 1.06 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 44 G 9.47 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.91 5.14 2.15 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 1.52 1.08 1.05 0.00 0.00 46 T 8.38 4.48 4.32 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 1.28 0.00 0.00 47 G 8.81 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.09 4.11 0.00 1.87 1.76 0.98 1.33 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 49 A 10.45 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.06 3.88 4.29 0.00 0.00 0.00 0.00 0.00 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 51 D 8.18 4.46 0.00 3.09 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 52 V 8.05 3.67 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 1.43 0.00 0.00 1.26 0.00 0.00 53 T 8.49 3.82 4.49 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 1.25 0.00 0.00 54 T 8.20 3.77 4.28 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 1.11 0.00 0.00 55 L 8.17 3.30 0.00 1.50 1.47 0.84 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.65 4.37 0.00 1.44 2.34 0.00 0.00 6.77 7.81 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 57 E 8.06 3.95 0.00 2.10 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 2.30 2.41 0.00 58 M 7.62 3.75 0.00 1.49 1.62 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 59 F 7.90 4.36 0.00 2.82 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 60 R 7.96 3.87 0.00 2.18 2.15 0.00 3.21 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 61 Y 7.78 4.07 0.00 3.14 2.95 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 0.00 0.00 0.00 62 K 8.65 4.26 0.00 1.99 1.99 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.61 1.71 7.81 63 T 8.44 3.93 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 0.95 0.00 0.00 64 N 8.58 4.44 0.00 2.92 2.86 0.00 0.00 6.91 6.28 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 65 L 7.82 3.99 0.00 1.91 1.73 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.32 3.98 0.00 3.17 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 67 K 8.26 4.35 0.00 2.14 1.98 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 68 L 7.71 3.96 0.00 1.85 1.69 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.71 4.11 0.00 1.60 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.57 7.81 70 E 8.47 3.87 0.00 1.57 1.69 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 1.56 1.47 0.00 71 E 8.44 4.38 0.00 2.07 2.04 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 2.21 2.34 0.00 72 R 7.11 4.56 0.00 2.06 2.00 0.00 2.83 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 73 A 8.51 4.23 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 74 I 8.14 3.78 1.02 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.14 0.66 0.00 0.00 75 E 8.27 4.62 0.00 2.05 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 2.41 2.39 0.00 76 P 0.00 4.29 0.00 2.19 2.17 0.00 3.67 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 2.18 2.23 0.00 77 E 8.26 3.97 0.00 2.07 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 2.42 2.50 0.00 78 T 7.85 3.87 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 1.24 0.00 0.00 79 F 8.60 4.02 0.00 3.01 3.15 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 0.00 0.00 0.00 80 T 8.21 3.63 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 1.16 0.00 0.00 81 Q 7.78 3.90 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 82 L 7.69 3.83 0.00 1.64 1.46 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.42 3.18 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 0.78 0.00 0.00 -0.64 0.00 0.00 84 S 8.12 4.07 0.00 3.92 3.95 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 0.00 0.00 0.00 85 S 8.29 4.17 0.00 4.09 4.10 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 86 S 8.15 4.18 0.00 4.21 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 87 L 8.18 4.25 0.00 1.92 1.76 0.97 0.73 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 88 Y 8.21 3.78 0.00 3.07 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 89 E 7.95 4.20 0.00 2.16 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 0.00 2.30 2.35 0.00 90 R 7.68 4.45 0.00 1.71 1.66 0.00 2.96 0.00 0.00 2.86 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.29 0.00 91 R 7.00 3.16 0.00 0.67 1.00 0.00 2.57 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 8.21 4.94 0.00 2.99 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 93 G 6.78 4.99 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 94 P 0.00 4.09 0.00 1.86 1.80 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.78 0.00 95 Y 7.74 4.14 0.00 2.89 2.81 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 96 F 8.98 4.72 0.00 3.07 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 97 V 7.83 5.06 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 0.80 0.00 0.00 1.01 0.00 0.00 98 G 9.02 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 0.00 0.00 0.00 99 P 0.00 4.96 0.00 1.99 2.08 0.00 3.68 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 2.10 2.18 0.00 100 V 9.01 4.48 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 0.99 0.00 0.00 0.98 0.00 0.00 101 V 8.65 5.12 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 1.03 0.00 0.00 1.03 0.00 0.00 102 A 9.40 4.77 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 0.00 103 G 7.82 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 0.00 0.00 0.00 0.00 104 I 8.12 4.64 1.91 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 1.31 0.74 0.93 0.00 0.00 105 N 8.79 5.16 0.00 2.71 2.73 0.00 0.00 7.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.