NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2866 8.3001 118.7933 53.1900 33.5584 175.1784 2 A 3.4483 7.8481 123.6761 52.3699 16.9857 179.1599 *3 H 4.7124 8.2546 116.8096 53.6090 32.4225 175.0821 4 K 4.3277 8.4616 127.7120 56.2156 38.7754 173.7397 5 K 4.3391 8.9179 111.1259 54.4726 36.0840 176.6725 6 A 4.5753 7.9382 127.5273 50.9741 22.0820 175.1577 7 L 4.4726 7.7978 118.3867 54.7747 44.5968 172.5774 8 A 4.2212 8.3555 122.2777 53.5968 20.6113 177.2519 9 S 4.6606 8.7221 114.2826 57.4634 64.0129 170.3839 10 T 4.7005 7.7950 122.4895 61.1854 71.0354 174.4683 11 R 4.6604 7.8274 119.0459 55.9923 31.4748 174.5260 12 N 4.9997 8.1446 110.8252 53.0526 42.6949 176.9940 13 G 4.0232 7.8440 108.2767 45.1343 0.0000 172.5860 14 R 4.5527 7.0834 120.2510 55.2322 34.5606 174.5742 15 D 4.2162 8.0899 115.3328 53.6127 43.4321 175.9750 16 S 4.1897 9.2118 124.2425 59.1453 62.5331 173.6205 17 Q 3.7301 8.1562 123.3156 53.6870 30.0526 177.4327 18 A 4.0573 8.4851 122.8142 53.0337 18.7265 177.7404 19 K 4.2724 8.4618 119.6243 55.9327 33.5503 177.5909 20 R 3.4834 7.4660 107.4304 57.4563 27.6618 175.5613 21 L 4.7696 7.5701 129.2327 53.8670 44.8640 174.1901 22 G 3.8727 7.8198 104.9010 45.3402 0.0000 173.0284 23 V 4.4291 7.9493 120.9518 61.2624 33.5943 176.2060 24 K 4.2115 8.3103 121.7803 56.3074 34.1902 176.7464 25 R 4.4962 7.5256 116.8971 54.4648 31.3844 175.0116 26 Y 4.7530 8.6710 120.6579 56.3380 39.2243 175.1186 27 E 4.1174 9.4942 121.9990 59.1298 29.6451 177.2086 28 G 4.1434 9.2809 116.3130 45.7989 0.0000 172.5358 29 Q 4.7181 8.0681 116.9328 53.4026 32.4947 175.5563 30 V 4.2261 8.4947 122.8356 63.0799 31.5681 175.5194 31 V 4.3025 8.9076 122.3705 60.1002 33.7865 176.3478 32 R 4.5930 8.3172 122.7083 55.8996 30.6272 176.8145 33 A 4.3895 8.5917 128.2961 55.1118 18.9294 177.0971 34 G 4.0024 8.4553 110.2698 45.5814 0.0000 172.3038 35 N 4.6220 8.0846 118.6093 52.8446 39.4926 174.5144 36 I 4.3695 8.4706 118.2759 61.2270 38.1158 175.7358 37 L 4.5417 9.7389 125.3307 55.4346 44.1449 176.3644 38 V 4.8152 7.3561 116.7695 61.4820 35.4115 173.3284 39 R 5.0542 9.1772 124.7983 54.4001 33.4446 174.5162 40 Q 4.6744 8.5617 121.0030 55.1638 30.8239 175.2123 41 R 4.1631 9.0414 122.0537 58.0633 30.5336 176.2695 42 G 3.7681 7.5124 104.7786 43.4799 0.0000 172.9700 43 T 3.5692 7.0024 113.5792 60.3063 66.0856 174.3466 44 R 3.9246 7.5255 124.7224 59.3770 30.8805 177.3364 45 F 4.6910 8.6469 115.6609 56.0264 40.8462 175.2058 46 K 4.5979 9.1431 122.4130 53.5473 34.7499 174.1364 47 P 4.4832 0.0000 0.0000 62.1399 31.7954 175.8558 48 G 4.5047 8.6151 108.4775 46.6777 0.0000 175.6076 49 K 4.2770 9.0341 127.1212 56.5725 32.4891 176.4764 50 N 4.3794 8.8944 121.5118 54.4628 35.8553 173.5123 51 V 4.4685 7.8604 116.8749 61.0601 34.0193 174.8070 52 G 3.9190 7.4170 114.2341 44.8082 0.0000 171.9992 53 M 5.7097 7.7500 119.4186 54.1423 34.8439 174.1793 54 G 3.6663 9.0414 112.9202 45.6298 0.0000 176.3730 55 R 2.8744 8.0208 114.3461 57.4019 32.2845 177.5143 56 D 4.6223 7.6688 121.4992 54.4629 39.5245 176.5289 57 F 3.8892 8.3649 115.1298 59.5337 37.9406 175.9731 58 T 4.2554 8.3658 118.1907 64.3906 69.2053 172.9650 59 L 5.2288 8.8556 126.7253 53.2375 44.4139 175.5635 60 F 5.1664 7.6916 116.2974 55.6925 41.3730 173.2653 61 A 4.6386 8.8225 121.7534 52.0323 19.2746 178.1089 62 L 4.6805 9.2585 119.6031 55.5533 43.4702 177.5451 63 V 4.5957 7.6307 109.9664 59.2469 35.3358 174.5129 64 D 4.5847 8.7031 123.3516 54.2744 42.0566 177.5220 65 G 4.4578 7.6173 107.2205 46.5597 0.0000 171.3734 66 V 5.0413 7.4785 120.6332 60.7979 35.3806 176.4501 67 V 4.0343 8.7097 126.6513 63.3046 32.7077 174.6793 68 E 4.9952 8.3190 126.2231 55.4629 33.4077 173.6058 69 F 5.1857 9.4730 125.9848 56.2147 41.7019 174.9262 70 Q 4.8363 9.8344 124.3236 55.0298 31.9784 174.2017 71 D 4.4113 8.5591 119.6205 53.6864 42.8174 175.3130 72 R 4.6111 8.6059 125.9373 55.6308 32.4353 180.0858 73 G 3.8022 9.0106 111.2013 46.9667 0.0000 176.3932 74 R 4.4382 9.0812 116.0842 56.2846 29.7774 176.7980 75 L 4.5611 8.4608 120.7635 54.9198 44.5478 175.8167 76 G 4.2135 7.9690 103.1646 43.2341 0.0000 172.4151 77 R 4.6946 8.2395 119.7118 55.4851 30.9847 175.3644 78 Y 4.8779 8.8214 120.2615 56.1942 42.1768 174.6784 79 V 4.5098 8.4682 120.7165 61.7567 34.6392 174.2541 80 H 5.4609 9.7241 124.8783 53.9235 33.1190 172.8562 81 V 4.6105 8.4341 118.5677 60.9687 33.5805 175.1872 82 R 4.0171 8.8101 130.2227 55.5656 30.7794 173.0316 83 P 4.6173 0.0000 0.0000 61.9178 30.8414 175.8998 84 L 4.0592 8.2368 126.5425 56.6024 40.5121 177.6488 85 A 4.1417 8.1643 119.9883 52.9086 18.9359 176.0882 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 4.29 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.85 3.45 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 *3 H 8.25 4.71 0.00 2.94 2.90 0.00 7.24 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 4 K 8.46 4.33 0.00 1.71 1.39 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.20 0.93 7.81 5 K 8.92 4.34 0.00 1.70 1.54 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.18 0.92 7.81 6 A 7.94 4.58 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 7 L 7.80 4.47 0.00 1.64 1.42 0.92 0.65 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 8 A 8.36 4.22 1.17 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 9 S 8.72 4.66 0.00 3.60 3.65 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 10 T 7.80 4.70 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 11 R 7.83 4.66 0.00 1.71 1.81 0.00 3.21 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 12 N 8.14 5.00 0.00 2.69 2.76 0.00 0.00 7.17 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 13 G 7.84 4.02 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 0.00 14 R 7.08 4.55 0.00 1.76 1.79 0.00 3.27 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 15 D 8.09 4.22 0.00 2.56 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.21 4.19 0.00 3.91 3.84 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 Q 8.16 3.73 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 18 A 8.49 4.06 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 19 K 8.46 4.27 0.00 1.74 1.85 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.35 7.81 20 R 7.47 3.48 0.00 2.00 2.13 0.00 3.18 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 L 7.57 4.77 0.00 1.65 1.84 0.95 1.11 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 22 G 7.82 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 23 V 7.95 4.43 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 0.54 0.00 0.00 0.66 0.00 0.00 24 K 8.31 4.21 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.46 7.81 25 R 7.53 4.50 0.00 1.65 1.80 0.00 3.20 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 26 Y 8.67 4.75 0.00 3.15 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 27 E 9.49 4.12 0.00 2.53 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 2.48 2.74 0.00 28 G 9.28 4.14 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 0.00 29 Q 8.07 4.72 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 30 V 8.49 4.23 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 0.78 0.00 0.00 0.95 0.00 0.00 31 V 8.91 4.30 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 0.71 0.00 0.00 0.99 0.00 0.00 32 R 8.32 4.59 0.00 1.80 1.79 0.00 3.19 0.00 0.00 3.23 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 33 A 8.59 4.39 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 34 G 8.46 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 0.00 0.00 0.00 35 N 8.08 4.62 0.00 2.68 2.77 0.00 0.00 6.84 7.38 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 36 I 8.47 4.37 1.92 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 1.34 0.51 0.90 0.00 0.00 37 L 9.74 4.54 0.00 1.34 1.54 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.36 4.82 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 0.83 0.00 0.00 0.72 0.00 0.00 39 R 9.18 5.05 0.00 1.75 1.79 0.00 3.37 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 40 Q 8.56 4.67 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.12 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 41 R 9.04 4.16 0.00 1.86 2.11 0.00 3.38 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 42 G 7.51 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 43 T 7.00 3.57 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 1.09 0.00 0.00 44 R 7.53 3.92 0.00 2.20 2.09 0.00 3.37 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 45 F 8.65 4.69 0.00 2.99 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 46 K 9.14 4.60 0.00 0.79 0.93 0.00 1.17 0.00 0.00 1.40 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.11 1.00 7.81 47 P 0.00 4.48 0.00 2.13 1.96 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 48 G 8.62 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.03 4.28 0.00 1.83 1.74 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.30 7.81 50 N 8.89 4.38 0.00 2.90 2.91 0.00 0.00 6.51 7.68 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 51 V 7.86 4.47 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 0.56 0.00 0.00 0.96 0.00 0.00 52 G 7.42 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 53 M 7.75 5.71 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 54 G 9.04 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 0.00 0.00 0.00 55 R 8.02 2.87 0.00 1.90 2.01 0.00 3.10 0.00 0.00 3.36 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 56 D 7.67 4.62 0.00 2.83 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 57 F 8.36 3.89 0.00 3.45 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 58 T 8.37 4.26 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 1.40 0.00 0.00 59 L 8.86 5.23 0.00 1.50 1.43 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.69 5.17 0.00 3.19 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 61 A 8.82 4.64 1.29 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 0.00 0.00 0.00 62 L 9.26 4.68 0.00 1.55 1.77 0.89 0.83 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 63 V 7.63 4.60 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 0.94 0.00 0.00 64 D 8.70 4.58 0.00 2.68 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 65 G 7.62 4.46 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 66 V 7.48 5.04 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 1.03 0.00 0.00 0.95 0.00 0.00 67 V 8.71 4.03 2.44 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 0.94 0.00 0.00 1.04 0.00 0.00 68 E 8.32 5.00 0.00 2.09 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 2.31 2.38 0.00 69 F 9.47 5.19 0.00 3.07 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 70 Q 9.83 4.84 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 71 D 8.56 4.41 0.00 2.71 2.54 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 72 R 8.61 4.61 0.00 2.23 1.91 0.00 2.92 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.00 73 G 9.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.08 4.44 0.00 1.82 1.96 0.00 3.31 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 L 8.46 4.56 0.00 1.67 1.73 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.97 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 0.00 0.00 0.00 0.00 77 R 8.24 4.69 0.00 1.14 1.54 0.00 2.71 0.00 0.00 2.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 78 Y 8.82 4.88 0.00 2.90 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 79 V 8.47 4.51 1.90 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 0.35 0.00 0.00 0.91 0.00 0.00 80 H 9.72 5.46 0.00 2.91 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.43 4.61 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 0.77 0.00 0.00 0.97 0.00 0.00 82 R 8.81 4.02 0.00 1.97 1.85 0.00 3.18 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 83 P 0.00 4.62 0.00 2.11 2.12 0.00 3.46 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 84 L 8.24 4.06 0.00 1.76 1.80 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.16 4.14 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 * Residues marked with a * may have inaccurate shift predictions.