NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5316 8.1627 120.6148 55.1981 34.9509 174.7872 2 V 4.7964 7.4459 113.6052 60.7933 34.9265 171.3311 3 E 4.9040 10.3291 126.7340 54.4951 34.1159 174.1992 4 L 5.3283 8.2645 121.1387 52.8954 44.8955 176.6712 5 T 4.0477 8.7690 114.0313 60.9032 69.2525 173.7444 6 P 4.1998 0.0000 0.0000 65.9569 31.3681 178.8410 7 A 3.8261 7.9295 118.7709 54.9483 18.3357 179.2559 8 A 3.9500 8.0611 119.2421 55.6775 18.3097 179.7584 9 I 3.0019 6.8787 116.3536 64.2921 37.5589 177.2453 10 Q 4.4487 7.4624 118.7665 57.3896 29.3646 177.0362 11 E 3.6679 7.6671 119.7568 58.9174 29.7556 177.6642 12 L 4.0690 8.1575 117.7674 55.8655 41.8059 176.0974 13 E 4.5737 8.3640 119.0247 56.3785 29.2151 176.2711 14 R 5.3709 8.3919 135.0000 57.4189 30.0666 174.8043 15 L 4.3650 7.0844 118.3241 55.5097 39.4482 178.3323 16 Q 3.5710 7.6855 115.7834 57.3616 28.8957 174.6987 *27 I 4.3154 7.3098 117.2273 60.9485 38.8498 174.3403 28 L 5.3543 9.4445 128.3695 53.2417 45.5462 175.0486 29 R 5.0950 9.0176 125.3786 54.8194 33.0248 173.7730 30 I 5.0317 8.7328 128.6361 60.1170 39.4474 175.3540 31 Q 4.8310 8.7023 123.5455 55.2684 32.3774 173.5552 32 V 5.0427 8.1831 110.8250 59.8300 35.4840 175.2527 33 Q 4.8882 9.3614 119.5998 53.7371 32.3753 172.6985 34 P 4.5762 0.0000 0.0000 63.1859 31.9389 175.7805 35 S 4.5352 8.2181 116.5047 56.8386 65.9768 174.0808 36 E 3.9650 8.9741 120.4532 59.6778 29.5871 177.5681 37 C 4.0659 7.8991 115.6089 60.8719 29.1690 175.6412 38 G 3.7581 8.4663 112.8239 46.0715 0.0000 172.2144 39 D 4.3719 8.7264 117.0077 54.7088 43.5856 176.9399 40 W 5.2803 7.1502 116.6669 54.5483 33.2642 174.3825 41 R 5.4116 8.9284 124.0199 53.4780 32.2874 174.6423 42 Y 4.5356 8.4359 123.4941 58.5071 38.9741 175.0150 43 D 5.0208 9.4936 122.8583 52.4132 44.2516 174.3757 44 L 5.2973 8.7284 124.8456 52.9519 44.4116 175.6561 45 A 4.8459 8.8530 124.8127 49.9885 23.0142 174.4507 46 L 4.7966 8.5091 119.8138 53.9895 42.7242 176.7887 47 V 4.6004 8.5535 116.2101 59.3653 35.0460 176.0831 48 A 4.0971 8.7707 125.8857 54.8759 18.6744 177.6944 49 E 4.7012 7.5697 114.0378 54.0643 32.6442 172.6346 50 P 4.4847 0.0000 0.0000 61.7697 32.6702 175.9667 51 K 3.8553 8.6367 122.1485 56.3772 32.5685 175.8871 52 P 4.3137 0.0000 0.0000 65.1717 31.4139 177.3227 53 T 4.4468 7.6633 105.8920 61.2276 68.8313 174.3510 54 D 4.6687 7.8688 122.3138 54.9226 42.4766 175.6474 55 L 4.6538 9.4217 122.9956 53.6974 42.6813 175.7874 56 L 5.1994 8.4394 124.5794 53.9080 43.2863 176.6095 57 T 4.7068 8.7750 112.3511 59.9020 72.1345 173.3834 58 Q 5.0559 9.0910 125.7131 55.1476 30.9205 174.8733 59 S 5.7780 8.9972 124.6296 59.2452 63.7536 176.4177 60 Q 3.5497 7.8721 131.7924 58.6304 24.4695 174.1042 61 G 4.1516 7.9822 98.7527 46.0829 0.0000 172.2238 62 W 4.6968 7.7028 116.5979 54.7901 32.3753 175.0861 63 T 5.2829 8.2911 119.1923 61.7399 70.4781 173.5951 64 I 4.9471 8.8594 126.1837 59.5997 40.1729 174.4849 65 A 4.7937 9.7241 131.2667 50.4646 20.3581 175.0903 66 I 4.6313 8.5002 123.0900 60.7124 39.0083 175.8175 67 A 4.6328 8.8456 129.4252 51.3316 19.0624 178.3631 68 A 3.9086 8.8701 124.7468 55.1063 18.3733 179.7961 69 E 3.9508 8.1991 114.3439 58.5488 29.9623 177.9667 70 A 4.3179 7.9037 119.9844 51.5601 19.6458 178.1605 71 A 3.8513 7.4584 120.0864 55.3094 18.2200 179.4601 72 E 3.8901 8.1548 114.7372 59.7221 29.6078 178.8864 73 L 4.2992 8.0549 116.5783 56.1609 42.1418 177.4294 74 L 4.6378 8.0348 117.0497 53.7483 43.6863 176.3197 75 R 3.9525 7.9853 119.3041 58.2849 30.0312 176.0464 76 G 4.0255 9.0352 114.0012 44.8335 0.0000 173.0767 77 L 4.4030 7.9146 122.0295 54.9514 43.6543 175.8849 78 R 5.1416 8.6355 122.0982 54.3788 33.9350 174.5481 79 V 4.5967 8.9269 123.4328 61.0846 34.3674 173.7470 80 D 5.0022 8.9211 126.4161 52.8036 45.1627 172.8188 81 Y 4.7584 8.4507 124.1538 55.8528 41.4955 174.3229 82 I 4.3319 7.1805 125.6786 59.3973 41.8272 173.7406 83 E 4.5253 8.5254 128.0257 54.9764 30.3829 173.9057 84 D 5.2082 8.3768 131.0909 52.0017 41.5927 176.4495 85 L 4.1605 8.4835 116.9786 57.3855 41.8662 177.3155 86 M 4.2556 8.6119 117.5983 54.5177 32.8948 174.7014 87 G 3.7912 7.5722 104.8766 43.6398 0.0000 172.0282 88 G 4.2189 8.4400 105.9095 43.6763 0.0000 173.0036 89 A 4.7245 7.4083 123.3140 50.7477 23.1614 175.8247 90 F 4.5685 8.9509 118.5480 57.7498 39.9310 175.0805 91 R 4.5875 9.3092 120.1084 54.4474 34.6316 174.3934 92 F 4.9064 8.3331 118.6547 56.2836 42.9730 174.3998 93 H 4.7473 9.1793 121.0691 53.9008 30.6128 171.2143 94 N 4.8272 8.3631 121.7969 51.2434 39.5792 173.6029 95 P 4.3644 0.0000 0.0000 64.7770 31.7173 177.4037 96 N 4.5201 8.4836 114.6529 54.1508 38.9209 175.4020 97 A 4.3916 7.8416 122.9456 52.5650 18.5636 177.3680 98 S 4.7151 8.9259 117.9350 59.1640 64.3330 174.4034 99 Q 4.8799 7.8236 118.4534 55.2315 32.9513 173.1362 100 T 5.3177 8.4618 112.3743 59.7235 71.7914 173.2090 101 C 4.3915 9.6143 119.8747 57.7550 30.9481 174.4728 102 G 3.8964 8.9521 107.8070 48.8209 0.0000 174.3884 103 C 4.2863 8.0770 112.5124 58.4061 30.4103 174.5601 104 G 4.1538 8.0509 108.1515 45.3972 0.0000 173.8345 105 M 4.7184 8.1780 117.5797 55.8926 33.4525 175.4777 106 A 5.3949 8.1153 121.0798 50.1555 22.8380 175.1375 107 F 5.5074 9.0394 115.7152 55.8257 42.2200 173.1944 108 R 4.8952 9.0052 113.1192 55.2287 32.9682 174.7577 109 V 5.1530 8.3587 113.7329 59.3900 34.8984 175.2913 110 S 4.4461 8.5390 115.8039 57.7921 63.7885 174.4556 111 R 4.0641 8.4055 122.1451 56.4624 30.5514 176.9565 112 S 4.3740 8.5551 114.9929 58.5861 63.3536 173.9746 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 8.16 4.53 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 2 V 7.45 4.80 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 0.80 0.00 0.00 0.94 0.00 0.00 3 E 10.33 4.90 0.00 1.85 1.76 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 2.21 2.25 0.00 4 L 8.26 5.33 0.00 1.39 1.42 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.77 4.05 4.21 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 1.27 0.00 0.00 6 P 0.00 4.20 0.00 2.16 2.16 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 7 A 7.93 3.83 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 8 A 8.06 3.95 1.46 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 9 I 6.88 3.00 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.77 0.00 0.00 10 Q 7.46 4.45 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 11 E 7.67 3.67 0.00 1.16 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 1.47 1.80 0.00 12 L 8.16 4.07 0.00 1.16 0.99 0.31 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.36 4.57 0.00 2.06 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 2.55 2.60 0.00 14 R 8.39 5.37 0.00 1.97 2.06 0.00 3.31 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 15 L 7.08 4.37 0.00 1.81 1.69 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.69 3.57 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.36 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 *27 I 7.31 4.32 1.83 0.00 0.00 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 1.17 0.64 0.95 0.00 0.00 28 L 9.44 5.35 0.00 1.95 1.62 0.92 0.48 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 29 R 9.02 5.10 0.00 1.90 1.76 0.00 3.14 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 30 I 8.73 5.03 1.91 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 1.34 0.71 1.01 0.00 0.00 31 Q 8.70 4.83 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 32 V 8.18 5.04 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 0.55 0.00 0.00 0.12 0.00 0.00 33 Q 9.36 4.89 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 34 P 0.00 4.58 0.00 1.85 1.74 0.00 3.71 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 35 S 8.22 4.54 0.00 3.77 3.89 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 36 E 8.97 3.96 0.00 1.95 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 2.27 2.25 0.00 37 C 7.90 4.07 0.00 2.96 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 38 G 8.47 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 39 D 8.73 4.37 0.00 2.28 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 40 W 7.15 5.28 0.00 1.78 2.40 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 41 R 8.93 5.41 0.00 1.78 1.75 0.00 3.18 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.45 0.00 42 Y 8.44 4.54 0.00 2.35 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 43 D 9.49 5.02 0.00 2.74 2.60 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 44 L 8.73 5.30 0.00 1.49 1.42 0.34 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.85 4.85 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 46 L 8.51 4.80 0.00 1.60 1.70 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.55 4.60 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 0.68 0.00 0.00 1.06 0.00 0.00 48 A 8.77 4.10 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 49 E 7.57 4.70 0.00 1.87 1.76 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 2.19 2.29 0.00 50 P 0.00 4.48 0.00 2.22 2.04 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 51 K 8.64 3.86 0.00 1.87 1.89 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.45 7.81 52 P 0.00 4.31 0.00 2.08 2.10 0.00 3.71 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 2.02 2.07 0.00 53 T 7.66 4.45 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 1.21 0.00 0.00 54 D 7.87 4.67 0.00 2.66 2.72 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 55 L 9.42 4.65 0.00 1.49 1.62 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.44 5.20 0.00 1.54 1.60 0.92 0.87 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 57 T 8.77 4.71 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 1.25 0.00 0.00 58 Q 9.09 5.06 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.24 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 59 S 9.00 5.78 0.00 4.08 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 60 Q 7.87 3.55 0.00 2.38 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.25 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 61 G 7.98 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 62 W 7.70 4.70 0.00 3.32 3.12 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 63 T 8.29 5.28 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 1.29 0.00 0.00 64 I 8.86 4.95 1.92 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 1.07 0.94 0.00 0.00 65 A 9.72 4.79 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 66 I 8.50 4.63 2.02 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 1.18 0.76 0.90 0.00 0.00 67 A 8.85 4.63 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 68 A 8.87 3.91 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 69 E 8.20 3.95 0.00 2.08 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 2.16 2.23 0.00 70 A 7.90 4.32 1.13 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 0.00 0.00 71 A 7.46 3.85 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 72 E 8.15 3.89 0.00 1.94 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 2.32 2.35 0.00 73 L 8.05 4.30 0.00 1.61 1.77 -0.31 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.03 4.64 0.00 1.63 1.66 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.99 3.95 0.00 1.90 1.87 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 76 G 9.04 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 77 L 7.91 4.40 0.00 1.99 1.56 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.64 5.14 0.00 1.98 1.78 0.00 3.29 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 79 V 8.93 4.60 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 0.73 0.00 0.00 0.96 0.00 0.00 80 D 8.92 5.00 0.00 2.72 2.33 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 81 Y 8.45 4.76 0.00 2.80 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 82 I 7.18 4.33 1.61 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 0.96 1.05 0.74 0.00 0.00 83 E 8.53 4.53 0.00 1.83 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 2.15 2.20 0.00 84 D 8.38 5.21 0.00 2.83 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 85 L 8.48 4.16 0.00 1.64 1.75 0.91 0.81 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 86 M 8.61 4.26 0.00 1.95 2.16 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 2.56 2.47 0.00 87 G 7.57 3.79 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 0.00 0.00 0.00 88 G 8.44 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 0.00 0.00 0.00 0.00 89 A 7.41 4.72 1.20 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 90 F 8.95 4.57 0.00 2.99 2.60 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 91 R 9.31 4.59 0.00 1.26 1.59 0.00 3.14 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 92 F 8.33 4.91 0.00 2.62 2.40 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 93 H 9.18 4.75 0.00 3.03 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.36 4.83 0.00 2.68 2.54 0.00 0.00 7.11 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 95 P 0.00 4.36 0.00 2.08 2.10 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 96 N 8.48 4.52 0.00 2.93 2.92 0.00 0.00 6.93 8.21 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 97 A 7.84 4.39 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 98 S 8.93 4.72 0.00 3.92 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 99 Q 7.82 4.88 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 100 T 8.46 5.32 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 1.35 0.00 0.00 101 C 9.61 4.39 0.00 3.00 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 0.00 102 G 8.95 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 0.00 103 C 8.08 4.29 0.00 3.16 3.12 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 0.00 104 G 8.05 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 0.00 105 M 8.18 4.72 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 3.02 0.00 106 A 8.12 5.39 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 0.00 107 F 9.04 5.51 0.00 3.36 3.22 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 0.00 108 R 9.01 4.90 0.00 1.92 1.95 0.00 3.02 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 109 V 8.36 5.15 2.21 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 1.10 0.00 0.00 1.08 0.00 0.00 110 S 8.54 4.45 0.00 4.01 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 0.00 111 R 8.41 4.06 0.00 1.83 1.92 0.00 3.20 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 112 S 8.56 4.37 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.