NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2654 8.4445 119.1171 54.8594 29.0670 176.3112 3 T 4.0548 8.2705 117.3972 58.5831 66.3080 168.2197 4 K 4.4496 7.7322 127.0528 54.4000 36.2352 174.9656 5 V 3.5494 8.2050 122.5965 62.7746 31.7279 175.1324 6 I 4.1259 8.0554 128.2194 59.6682 38.4222 174.8937 7 N 4.5148 8.2598 124.1225 51.6821 40.2824 174.9976 8 F 4.3337 8.1894 127.1255 60.9573 39.2258 177.2336 9 N 4.6111 8.4918 115.5308 56.5543 38.1649 176.9977 10 D 4.3903 8.3510 119.1696 57.3670 41.3594 178.7688 11 K 4.1881 8.1099 118.9360 59.5362 31.9585 179.3130 12 F 4.0568 8.4951 118.7115 60.6588 38.6014 177.8936 13 S 4.1673 7.9963 112.7388 61.1016 62.8072 175.9728 14 L 4.2952 7.7328 120.8003 55.2473 41.8790 176.7804 15 F 5.0710 7.2715 113.1765 55.2921 40.8466 174.0813 16 N 4.7507 8.7247 118.8870 53.5155 40.4455 175.2737 17 Q 4.1066 8.1697 119.2686 56.3264 29.6543 175.3380 18 H 4.8944 8.7130 121.4404 55.5312 29.9315 174.7088 19 W 4.1320 8.1866 118.3782 58.1064 27.1175 175.8584 20 S 4.6492 7.4468 114.0864 55.4878 62.9671 171.6951 21 P 4.5353 0.0000 0.0000 62.4771 32.3080 175.5246 22 R 4.4105 8.4652 122.5879 53.9935 32.8522 175.3331 23 V 4.2275 8.4635 124.9807 63.0926 31.4939 175.3856 24 I 4.4646 8.7051 121.3474 61.3184 39.2790 175.2604 25 A 4.5663 7.6112 122.3837 51.4371 22.4538 174.8307 26 E 5.9020 8.3044 117.7575 52.6244 33.8707 176.3330 *28 N 4.8917 8.6770 118.1334 53.9954 39.5718 174.9450 29 D 5.0128 9.0119 126.3134 54.5456 40.5946 173.8628 30 Y 4.9962 8.2234 115.6785 57.0441 41.8007 174.5268 31 Q 5.1634 8.9174 120.2218 54.2922 32.7745 174.4099 32 F 5.0721 9.3711 122.0004 55.9008 41.0942 175.0126 33 K 5.0909 9.1670 123.2250 54.5852 35.4368 175.6792 34 L 4.8639 8.7616 124.5429 53.4785 43.8244 175.8447 35 V 4.9736 9.1827 121.9080 61.2682 35.7452 173.7904 36 K 4.9813 8.9630 124.9155 54.7542 34.7693 175.5154 37 V 3.4109 8.1318 117.2680 59.2499 35.7949 174.2999 38 E 4.5344 7.8457 122.8131 56.5644 32.5582 176.0777 39 G 3.9594 9.4146 115.0751 44.8208 0.0000 172.0063 40 E 4.5875 8.4604 117.4902 55.0098 31.2801 176.3976 41 F 4.0208 8.0822 125.2260 57.1826 41.3905 174.9097 42 V 4.2887 6.2748 111.2729 59.0948 34.3715 175.8224 43 W 4.5843 8.6015 123.0672 57.3870 29.6875 175.2054 44 H 4.8859 8.8781 118.9123 55.2323 32.1604 171.8466 45 E 5.0297 8.4721 115.3611 55.3249 33.7844 174.1027 46 H 4.8126 8.7205 116.4052 53.7002 30.0778 174.5426 47 A 4.0127 8.8732 127.1250 54.4680 18.4738 177.9402 48 D 4.9041 7.9898 112.1774 54.4075 41.9166 175.6852 49 T 4.7600 7.3340 113.3337 60.5074 70.8724 172.6433 50 D 4.8084 8.7629 126.6533 54.5492 42.0444 175.2748 51 E 4.6461 9.2594 121.5697 54.5384 33.4996 174.1921 52 V 4.9156 8.2083 126.5361 61.2976 33.9581 174.1116 53 F 5.0643 9.2020 126.3325 55.7088 41.3065 174.9249 54 I 4.7227 8.3074 123.4327 59.5718 40.3877 175.5631 55 V 3.9185 8.7082 127.6451 62.0085 33.5771 174.1199 *57 E 4.0959 8.5196 123.1667 57.4272 30.6339 176.4391 58 G 3.7100 8.8460 112.0154 44.4764 0.0000 171.1203 59 T 4.9454 8.0869 114.8633 61.6642 71.9242 173.3190 60 L 4.7323 8.9315 128.2967 53.2903 45.0787 174.8548 61 Q 5.0190 8.4757 123.3916 54.1594 32.2602 174.5713 62 I 4.4498 8.4424 123.0101 59.2566 40.6003 174.4239 63 A 4.5559 8.2527 130.1811 51.2969 19.6199 176.2655 64 F 5.4875 9.2056 120.6217 55.5791 42.6655 176.8822 65 R 3.9935 9.1817 118.4716 58.0729 30.0909 177.3003 66 D 4.8716 7.8692 115.2783 53.0856 41.0009 175.2796 67 Q 4.6170 7.4193 116.8979 55.7447 31.5448 172.0744 68 N 5.6661 8.7339 115.2953 51.4247 41.6625 174.1850 69 I 4.6607 8.6272 116.0448 59.3640 41.2242 174.3909 70 T 4.9525 8.3362 118.9538 61.8171 71.5353 173.1834 71 L 4.9213 9.0927 126.3505 53.1889 44.4620 176.1510 72 Q 4.9521 9.4999 122.1149 53.4494 32.1748 174.8387 73 A 4.1352 7.7656 123.1908 54.0472 18.6085 177.7535 74 G 3.8805 8.8010 109.7370 46.5776 0.0000 172.9108 75 E 4.6258 7.5634 116.9805 54.2697 33.9334 173.6494 *77 Y 4.5094 8.0091 119.1673 57.8014 40.3452 173.7374 78 V 4.5982 7.5238 125.5478 61.4113 33.0194 175.1174 79 I 4.4923 9.4319 131.3631 60.0808 38.0616 174.2070 80 P 4.9891 0.0000 0.0000 61.7647 32.7213 176.3865 81 K 4.4843 8.0256 121.8075 58.0318 32.6914 177.7374 82 G 4.1537 9.1030 111.3362 44.3851 0.0000 173.2290 83 V 4.0906 7.6168 120.5668 61.7748 31.8704 175.4924 84 E 4.6324 9.0029 130.1298 57.0111 30.4005 175.2990 85 H 4.9930 9.2755 120.6665 54.7467 32.7957 172.7595 86 K 4.0432 8.0571 120.2949 53.9806 34.3488 173.8631 87 P 5.1969 0.0000 0.0000 61.4783 33.5186 174.9795 *89 A 4.2183 8.3086 120.8507 52.0407 19.2616 177.9596 90 K 3.8330 9.0365 122.7032 58.9777 32.3626 176.7086 91 E 4.6988 7.5782 114.6995 53.4347 32.8524 174.8776 92 E 4.0381 8.5580 120.8906 57.0510 30.1728 175.4563 93 C 4.8327 8.8491 126.7260 57.4518 34.9734 172.4339 94 K 4.6395 8.6680 126.3950 54.9134 32.5801 175.3007 95 I 5.0719 8.5192 122.6671 58.8456 41.3151 174.1600 *97 I 4.4850 8.1676 119.8298 61.5798 39.0051 174.8326 98 I 4.8765 7.6318 125.3481 59.5145 40.6013 174.2074 99 E 4.8351 8.4856 122.8200 54.6301 33.1622 173.0642 100 P 3.8380 0.0000 0.0000 61.8874 32.3091 176.8351 101 R 3.9478 8.2918 121.4617 56.7243 29.9435 176.3138 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 2 Q 8.44 4.27 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.32 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 T 8.27 4.05 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 4 K 7.73 4.45 0.00 1.61 1.62 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.42 7.81 5 V 8.20 3.55 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 0.87 0.00 0.00 6 I 8.06 4.13 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.77 0.00 0.00 7 N 8.26 4.51 0.00 2.64 2.72 0.00 0.00 7.18 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 8 F 8.19 4.33 0.00 3.26 3.07 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 0.00 0.00 0.00 9 N 8.49 4.61 0.00 2.96 2.95 0.00 0.00 7.08 8.08 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 10 D 8.35 4.39 0.00 2.82 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 K 8.11 4.19 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.61 7.81 12 F 8.50 4.06 0.00 3.20 2.83 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 13 S 8.00 4.17 0.00 4.04 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 0.00 14 L 7.73 4.30 0.00 2.01 1.88 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.27 5.07 0.00 3.11 2.97 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 16 N 8.72 4.75 0.00 2.72 2.86 0.00 0.00 6.93 7.69 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 17 Q 8.17 4.11 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 18 H 8.71 4.89 0.00 3.32 2.76 0.00 5.84 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 19 W 8.19 4.13 0.00 3.52 3.36 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 20 S 7.45 4.65 0.00 3.78 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 21 P 0.00 4.54 0.00 1.88 1.92 0.00 3.63 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 2.02 2.11 0.00 22 R 8.47 4.41 0.00 1.18 1.55 0.00 2.73 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 23 V 8.46 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 0.82 0.00 0.00 0.91 0.00 0.00 24 I 8.71 4.46 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 0.90 0.00 0.00 25 A 7.61 4.57 1.05 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 0.00 0.00 26 E 8.30 5.90 0.00 1.86 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 2.27 2.19 0.00 *28 N 8.68 4.89 0.00 2.87 2.08 0.00 0.00 6.73 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 29 D 9.01 5.01 0.00 2.68 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 30 Y 8.22 5.00 0.00 2.94 2.80 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 31 Q 8.92 5.16 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 32 F 9.37 5.07 0.00 3.02 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 33 K 9.17 5.09 0.00 1.46 1.60 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.35 7.81 34 L 8.76 4.86 0.00 1.51 1.24 0.23 0.48 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 35 V 9.18 4.97 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 1.07 0.00 0.00 0.92 0.00 0.00 36 K 8.96 4.98 0.00 1.83 1.58 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.53 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.22 1.47 7.81 37 V 8.13 3.41 0.67 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 -0.02 0.00 0.00 0.64 0.00 0.00 38 E 7.85 4.53 0.00 1.68 1.74 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 2.24 2.29 0.00 39 G 9.41 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 40 E 8.46 4.59 0.00 1.91 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 2.22 2.28 0.00 41 F 8.08 4.02 0.00 2.44 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 42 V 6.27 4.29 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.16 0.00 0.00 43 W 8.60 4.58 0.00 3.11 3.24 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 44 H 8.88 4.89 0.00 3.20 3.36 0.00 5.21 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.47 5.03 0.00 2.07 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 2.36 0.00 46 H 8.72 4.81 0.00 3.29 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.87 4.01 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 48 D 7.99 4.90 0.00 2.67 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 49 T 7.33 4.76 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 1.20 0.00 0.00 50 D 8.76 4.81 0.00 2.65 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 51 E 9.26 4.65 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 52 V 8.21 4.92 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 0.91 0.00 0.00 0.91 0.00 0.00 53 F 9.20 5.06 0.00 2.99 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 54 I 8.31 4.72 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.91 0.00 0.00 55 V 8.71 3.92 2.32 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 0.93 0.00 0.00 0.97 0.00 0.00 *57 E 8.52 4.10 0.00 1.97 1.60 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 2.16 2.25 0.00 58 G 8.85 3.71 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 0.00 0.00 0.00 59 T 8.09 4.95 4.20 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 1.22 0.00 0.00 60 L 8.93 4.73 0.00 1.67 1.41 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.48 5.02 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 62 I 8.44 4.45 1.45 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.61 -0.01 0.00 0.00 63 A 8.25 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.21 5.49 0.00 3.24 3.08 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 0.00 0.00 0.00 0.00 65 R 9.18 3.99 0.00 1.78 1.87 0.00 2.94 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.36 0.00 66 D 7.87 4.87 0.00 2.78 2.78 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 67 Q 7.42 4.62 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 68 N 8.73 5.67 0.00 2.59 2.72 0.00 0.00 6.70 7.45 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 69 I 8.63 4.66 1.75 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.79 0.00 0.00 70 T 8.34 4.95 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 1.22 0.00 0.00 71 L 9.09 4.92 0.00 1.54 1.56 0.83 1.10 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 72 Q 9.50 4.95 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 73 A 7.77 4.14 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 74 G 8.80 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.56 4.63 0.00 2.18 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 2.24 2.50 0.00 *77 Y 8.01 4.51 0.00 3.13 2.98 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 0.00 0.00 0.00 78 V 7.52 4.60 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 0.83 0.00 0.00 0.85 0.00 0.00 79 I 9.43 4.49 2.07 0.00 0.00 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 1.80 1.03 1.00 0.00 0.00 80 P 0.00 4.99 0.00 2.12 1.99 0.00 3.74 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 81 K 8.03 4.48 0.00 2.10 1.96 0.00 1.82 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.40 7.81 82 G 9.10 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 83 V 7.62 4.09 2.41 0.00 0.00 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 1.01 0.00 0.00 84 E 9.00 4.63 0.00 2.11 1.96 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 2.68 2.47 0.00 85 H 9.28 4.99 0.00 2.63 3.11 0.00 5.26 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.06 4.04 0.00 0.79 0.74 0.00 1.39 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.87 0.99 7.81 87 P 0.00 5.20 0.00 2.28 1.83 0.00 4.13 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.84 0.00 *89 A 8.31 4.22 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 90 K 9.04 3.83 0.00 2.00 1.88 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.04 7.81 91 E 7.58 4.70 0.00 1.86 1.80 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 2.17 2.22 0.00 92 E 8.56 4.04 0.00 2.04 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 2.10 2.09 0.00 93 C 8.85 4.83 0.00 2.86 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 94 K 8.67 4.64 0.00 1.22 0.74 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.58 0.91 7.81 95 I 8.52 5.07 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.94 0.00 0.00 *97 I 8.17 4.49 1.67 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.34 0.68 0.00 0.00 98 I 7.63 4.88 1.63 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.04 0.18 0.00 0.00 99 E 8.49 4.84 0.00 1.89 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 2.05 2.14 0.00 100 P 0.00 3.84 0.00 1.65 1.42 0.00 3.48 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.39 0.00 101 R 8.29 3.95 0.00 1.68 1.73 0.00 3.28 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.