NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.2895 8.3449 118.8246 56.1800 29.1928 175.5359 10 L 4.2218 8.1819 129.6133 53.7123 41.2411 175.4270 11 R 4.5450 8.1556 118.2032 54.5734 33.3137 176.5894 12 E 4.1996 8.4283 119.2577 56.0411 30.1797 177.5214 13 G 3.7864 8.3520 110.9131 45.3469 0.0000 173.1895 14 N 4.8643 8.2801 117.2141 51.1415 39.9910 174.6848 15 L 3.9137 8.5941 126.3164 57.5438 41.8598 179.0309 16 F 4.1332 8.2395 115.1951 58.8275 39.3278 175.1511 17 A 4.3857 8.1602 125.7889 50.3941 19.1814 176.2760 18 E 3.9732 8.8919 124.1366 58.0554 29.8096 176.4958 19 Q 3.6246 8.8970 122.1582 56.9711 27.5307 172.8270 20 C 4.2790 7.8489 119.2537 59.1877 32.2673 172.7343 21 P 4.4836 0.0000 0.0000 64.4476 30.8572 178.6969 22 S 4.2064 8.0314 113.5692 61.3365 62.8869 176.4723 23 R 3.9168 7.9148 121.6789 58.9948 29.6233 178.8923 24 E 3.8277 7.9090 117.9618 59.3335 29.7178 179.0213 25 V 3.6177 7.5428 117.9730 66.0693 31.3764 177.7239 26 L 3.8954 8.2662 120.2060 57.9465 41.9418 178.6546 27 K 3.8758 8.0265 119.4675 60.0858 32.0030 178.2740 28 H 4.3126 8.3937 116.5618 58.8653 28.4765 177.5628 29 V 4.0867 7.6765 111.5389 62.0289 31.8422 176.6897 30 T 4.5068 7.2869 107.1812 60.6156 69.7711 174.3519 31 S 4.2156 7.9501 117.8816 58.4167 62.3957 175.4260 32 R 3.6385 8.1112 120.6462 58.9595 29.5685 178.5211 33 W 5.0838 7.5721 118.2988 58.9881 29.3831 178.6728 34 G 3.7909 8.2263 107.3141 47.1927 0.0000 175.9126 35 V 3.5827 7.7934 120.6578 65.7583 31.4589 178.2357 36 L 4.0185 7.4765 118.7839 57.6983 41.5096 179.2802 37 I 3.6279 7.9657 119.9435 64.6780 36.8988 178.5749 38 L 4.0341 7.8180 118.0144 57.4251 41.5410 179.5197 39 V 3.7332 7.9747 118.2688 65.6910 31.5848 177.8629 40 A 3.9753 8.1885 120.8199 55.2250 18.3212 179.2805 41 L 4.4653 7.7895 117.2744 56.1506 41.4155 179.5437 42 R 4.0326 7.6305 117.9444 58.9262 30.0480 177.9715 43 D 4.6016 7.9064 117.5898 55.3451 41.0388 175.3287 44 G 3.9518 7.9859 105.1270 43.1684 0.0000 172.6426 45 T 4.4304 8.3582 116.2308 64.8233 68.8788 173.8606 46 H 5.0191 9.2559 121.7859 54.0183 33.2298 173.5249 47 R 4.7341 8.7611 120.2214 55.6066 31.5237 177.1303 48 F 4.1123 9.3789 123.4425 62.1080 39.0073 177.9789 49 S 4.3427 8.3224 112.9119 61.3057 62.7236 176.1212 50 D 4.3615 8.0381 121.5901 57.1009 40.7663 178.1162 51 L 4.0271 7.4753 117.7763 57.9511 41.7711 179.2475 52 R 3.7395 7.4308 116.9100 58.7602 31.1924 177.7046 53 R 4.2307 7.1576 119.5805 54.0850 26.7121 175.6549 *56 G 3.6043 7.3661 107.7266 46.5342 0.0000 171.3501 57 G 4.1239 9.0770 112.6146 45.0043 0.0000 173.6912 58 V 3.0465 6.8982 119.5718 60.0164 32.2959 176.3412 59 S 4.3011 7.9810 118.2475 57.5024 64.4468 173.1719 60 E 4.2646 8.4788 121.6215 56.8300 28.4375 177.3813 *63 L 3.9460 7.8361 123.6884 54.8264 44.5330 178.3663 64 A 4.2248 8.5190 120.6435 55.3772 18.1383 179.4894 65 Q 3.9234 8.0061 117.4502 59.3717 29.2403 178.2207 66 S 4.1452 8.0490 115.6921 61.6812 62.9618 176.4914 67 L 3.8551 8.1502 121.8978 57.7402 41.3025 179.4420 68 Q 3.9662 8.3101 119.2423 59.1962 29.0139 178.1011 69 A 3.9429 7.9819 121.8097 55.2049 18.3658 179.6520 70 L 4.1868 8.2659 117.6948 57.6786 41.7294 179.3704 71 E 4.0028 8.3275 119.8230 59.2453 29.4770 178.7388 72 Q 4.0981 7.9301 115.9460 58.7275 28.8496 177.6136 73 D 4.2950 7.5786 120.1709 55.4012 40.7429 177.1318 74 G 3.9954 7.3334 107.1947 45.2249 0.0000 174.1068 75 F 5.0454 8.1739 119.3863 57.7237 40.5465 175.6991 76 L 5.4962 7.9178 117.2131 52.8528 45.3353 175.6914 77 N 4.7814 9.4745 120.4991 52.4068 40.2619 174.0139 78 R 4.6245 8.6439 123.9675 54.5077 32.3076 174.6990 79 V 4.2299 8.4989 127.3390 61.0311 33.8186 174.8292 80 S 4.5207 8.4331 124.1209 58.5805 64.1079 173.9072 81 Y 4.6928 9.1601 121.9620 55.1752 39.0333 174.6033 82 P 4.3828 0.0000 0.0000 64.3353 32.1002 177.9100 83 V 3.7807 7.6423 119.1432 61.5451 32.0040 174.9142 84 V 4.2814 8.0374 121.2761 60.9445 32.2462 174.0975 85 P 4.4327 0.0000 0.0000 61.6703 32.0489 174.2552 86 P 5.2508 0.0000 0.0000 63.1123 32.2321 174.9581 87 H 5.2832 9.1987 118.1917 54.2591 34.0928 172.3668 88 V 4.9180 8.4787 118.6125 60.1018 34.2614 174.2215 89 E 5.2258 9.1181 123.6673 54.7581 32.8399 174.4463 90 Y 5.9039 9.6580 120.3949 55.4495 41.7255 174.9442 91 S 5.0535 8.5241 116.5816 56.6554 67.5125 172.5276 92 L 4.9790 8.4754 120.2182 54.5112 42.3345 177.5121 93 T 4.2405 8.6184 113.7342 60.6835 70.2001 173.7787 94 P 4.2549 0.0000 0.0000 65.8895 31.1209 178.5774 95 L 4.1540 8.1117 118.5541 58.2886 42.1617 179.1803 96 G 3.6850 8.4579 105.6300 47.6415 0.0000 175.5403 97 E 4.0152 8.6505 121.3375 59.3544 29.2181 179.3880 98 Q 3.9410 7.6374 117.3751 59.0635 28.9616 178.9477 99 V 3.6198 7.1535 118.8919 64.7985 31.5368 177.9071 100 S 4.1797 7.8455 113.4550 61.0134 62.1591 176.2317 101 D 4.3901 7.8112 118.2946 55.2199 40.4510 178.3718 *103 V 3.9072 7.7706 121.1562 62.9297 33.4059 177.4538 104 A 3.9684 8.4625 121.6176 54.9321 18.0754 179.2233 105 A 3.9696 8.0231 119.3850 55.3554 18.4145 179.6931 106 L 3.8873 7.8732 117.8221 58.1873 42.2344 178.6543 107 A 3.9982 8.2574 121.0132 55.4489 18.3722 179.1416 108 D 4.4578 8.4519 117.6666 57.5075 40.9440 179.0137 109 W 4.0545 8.4744 128.6995 60.4554 30.5207 178.1823 110 I 3.9260 8.1203 119.7966 64.5310 36.4375 178.1236 111 E 3.9280 8.1892 118.3765 59.4722 29.3481 179.0016 112 L 4.0216 7.7755 119.2840 57.1389 42.3958 177.7048 113 N 4.4702 7.3525 114.0889 52.4458 38.6446 176.1241 114 L 3.8551 7.2885 124.6702 58.0739 42.0314 177.2426 115 P 4.1932 0.0000 0.0000 65.7864 31.0065 178.3603 116 Q 3.9237 7.8482 116.8990 58.8612 29.3226 178.0291 117 V 3.7399 7.5199 118.9632 66.0695 31.3056 177.9696 118 L 3.9926 8.5439 118.8478 57.7929 41.2750 179.1729 119 A 3.8740 8.2090 119.1959 53.9729 18.3091 178.6757 120 Q 4.3571 7.7041 117.6332 57.2271 29.5892 175.8871 121 R 4.1131 7.1711 119.7614 56.1083 29.8961 176.4006 122 E 4.2270 8.4470 120.4897 56.6011 29.4263 175.0098 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 9 Q 8.34 4.29 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.59 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 10 L 8.18 4.22 0.00 1.74 1.70 0.92 0.67 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 11 R 8.16 4.54 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 12 E 8.43 4.20 0.00 1.97 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 2.33 2.31 0.00 13 G 8.35 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 14 N 8.28 4.86 0.00 2.80 2.72 0.00 0.00 6.88 6.66 0.00 0.00 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 L 8.59 3.91 0.00 1.49 1.50 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.24 4.13 0.00 3.22 3.10 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 17 A 8.16 4.39 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 18 E 8.89 3.97 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 2.31 2.33 0.00 19 Q 8.90 3.62 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 20 C 7.85 4.28 0.00 3.02 2.91 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 21 P 0.00 4.48 0.00 2.20 2.07 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 22 S 8.03 4.21 0.00 4.04 4.13 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 23 R 7.91 3.92 0.00 2.03 1.98 0.00 3.10 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 24 E 7.91 3.83 0.00 2.12 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 2.37 2.29 0.00 25 V 7.54 3.62 2.26 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 1.22 0.00 0.00 0.97 0.00 0.00 26 L 8.27 3.90 0.00 1.76 1.83 0.87 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.03 3.88 0.00 1.91 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 28 H 8.39 4.31 0.00 3.32 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.68 4.09 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 0.74 0.00 0.00 0.93 0.00 0.00 30 T 7.29 4.51 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 1.16 0.00 0.00 31 S 7.95 4.22 0.00 3.99 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 32 R 8.11 3.64 0.00 1.49 1.38 0.00 2.69 0.00 0.00 2.65 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 33 W 7.57 5.08 0.00 3.36 3.06 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 34 G 8.23 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 35 V 7.79 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 1.00 0.00 0.00 1.04 0.00 0.00 36 L 7.48 4.02 0.00 2.15 1.77 1.17 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.97 3.63 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.84 0.00 0.00 38 L 7.82 4.03 0.00 1.75 1.67 0.77 0.76 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 39 V 7.97 3.73 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 1.01 0.00 0.00 0.95 0.00 0.00 40 A 8.19 3.98 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 41 L 7.79 4.47 0.00 1.73 1.77 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.63 4.03 0.00 1.86 2.00 0.00 3.15 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 43 D 7.91 4.60 0.00 2.87 2.76 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 44 G 7.99 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 45 T 8.36 4.43 4.27 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 1.33 0.00 0.00 46 H 9.26 5.02 0.00 3.17 3.21 0.00 5.80 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 47 R 8.76 4.73 0.00 1.77 1.87 0.00 2.79 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 1.78 1.71 0.00 48 F 9.38 4.11 0.00 3.45 3.19 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 49 S 8.32 4.34 0.00 4.17 4.27 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 50 D 8.04 4.36 0.00 2.90 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 51 L 7.48 4.03 0.00 1.45 1.49 0.68 0.63 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 52 R 7.43 3.74 0.00 1.49 2.09 0.00 3.15 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 53 R 7.16 4.23 0.00 2.01 2.05 0.00 3.39 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 *56 G 7.37 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 57 G 9.08 4.12 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 0.00 0.00 0.00 58 V 6.90 3.05 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 0.26 0.00 0.00 -0.69 0.00 0.00 59 S 7.98 4.30 0.00 3.97 3.86 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 0.00 0.00 0.00 60 E 8.48 4.26 0.00 2.08 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 2.64 2.42 0.00 *63 L 7.84 3.95 0.00 1.39 1.74 0.57 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.52 4.22 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 0.00 0.00 0.00 0.00 0.00 65 Q 8.01 3.92 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 66 S 8.05 4.15 0.00 3.93 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 0.00 67 L 8.15 3.86 0.00 1.82 1.50 0.45 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.31 3.97 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 69 A 7.98 3.94 1.03 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 70 L 8.27 4.19 0.00 1.77 1.92 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.33 4.00 0.00 2.23 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 2.33 2.55 0.00 72 Q 7.93 4.10 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 73 D 7.58 4.30 0.00 2.42 1.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 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 75 F 8.17 5.05 0.00 3.16 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 76 L 7.92 5.50 0.00 1.64 1.82 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 N 9.47 4.78 0.00 2.67 2.75 0.00 0.00 6.39 7.52 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 78 R 8.64 4.62 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 0.00 79 V 8.50 4.23 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 0.57 0.00 0.00 0.87 0.00 0.00 80 S 8.43 4.52 0.00 3.67 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 81 Y 9.16 4.69 0.00 2.78 2.85 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 82 P 0.00 4.38 0.00 2.17 2.17 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 83 V 7.64 3.78 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 0.75 0.00 0.00 0.95 0.00 0.00 84 V 8.04 4.28 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 0.92 0.00 0.00 85 P 0.00 4.43 0.00 2.10 1.99 0.00 3.80 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 1.94 1.93 0.00 86 P 0.00 5.25 0.00 2.08 2.08 0.00 3.26 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 87 H 9.20 5.28 0.00 3.11 3.20 0.00 5.55 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 88 V 8.48 4.92 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 1.02 0.00 0.00 0.68 0.00 0.00 89 E 9.12 5.23 0.00 2.09 1.92 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 2.26 2.30 0.00 90 Y 9.66 5.90 0.00 2.91 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 91 S 8.52 5.05 0.00 3.89 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 92 L 8.48 4.98 0.00 1.60 1.69 0.94 0.94 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 93 T 8.62 4.24 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 1.32 0.00 0.00 94 P 0.00 4.25 0.00 2.21 2.19 0.00 3.64 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 2.14 2.19 0.00 95 L 8.11 4.15 0.00 1.84 1.98 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.46 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.65 4.02 0.00 2.21 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 0.00 2.35 2.62 0.00 98 Q 7.64 3.94 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 99 V 7.15 3.62 1.67 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 0.63 0.00 0.00 100 S 7.85 4.18 0.00 3.93 4.05 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 0.00 101 D 7.81 4.39 0.00 3.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.91 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 1.08 0.00 0.00 0.94 0.00 0.00 104 A 8.46 3.97 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 0.00 105 A 8.02 3.97 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 0.00 106 L 7.87 3.89 0.00 1.74 1.86 0.82 1.11 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 0.00 107 A 8.26 4.00 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 0.00 108 D 8.45 4.46 0.00 3.03 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 0.00 109 W 8.47 4.05 0.00 3.51 3.33 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 0.00 110 I 8.12 3.93 2.11 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 1.92 1.12 0.98 0.00 0.00 111 E 8.19 3.93 0.00 1.90 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 2.34 2.55 0.00 112 L 7.78 4.02 0.00 1.62 1.70 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.35 4.47 0.00 1.44 2.06 0.00 0.00 6.57 6.36 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 0.00 114 L 7.29 3.86 0.00 1.84 1.60 0.91 0.93 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 0.00 115 P 0.00 4.19 0.00 2.13 2.05 0.00 3.48 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 2.05 2.10 0.00 116 Q 7.85 3.92 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 117 V 7.52 3.74 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 1.01 0.00 0.00 1.04 0.00 0.00 118 L 8.54 3.99 0.00 1.66 1.70 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.21 3.87 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 0.00 120 Q 7.70 4.36 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 121 R 7.17 4.11 0.00 1.85 1.89 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 122 E 8.45 4.23 0.00 1.99 1.84 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 2.17 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.