NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4414 8.3349 115.4129 57.8215 64.6469 173.8651 2 K 4.0867 8.1044 119.6037 57.3619 32.7389 175.4503 3 T 4.2682 8.4387 117.4462 65.1318 71.1381 175.3862 4 N 4.4338 7.9291 120.4611 52.9126 39.8295 173.7659 5 P 4.3221 0.0000 0.0000 65.3335 31.3948 179.0539 6 R 3.8428 8.8380 117.6182 59.2750 30.2639 178.6468 7 L 3.9287 8.1192 119.5353 58.0907 42.0236 178.9044 8 S 4.0659 8.0141 113.0540 61.4214 62.3471 176.3315 9 S 4.0600 7.9804 117.7971 61.4011 62.5702 176.0332 10 L 3.8682 8.0983 123.4557 58.5500 41.7395 179.0131 11 I 3.6384 7.6152 118.7030 64.5581 37.0655 178.3156 12 A 4.0149 7.8588 121.1969 55.1117 18.1554 179.4898 13 D 4.2284 8.6807 117.8134 57.5684 40.9439 178.7903 14 L 3.8565 8.4418 119.7510 57.8028 41.5857 179.9620 15 K 4.0061 8.0445 118.2288 59.5512 32.0821 179.1671 16 S 4.1059 8.0959 113.2189 61.4619 62.0451 176.2632 17 A 4.0364 8.1110 123.1014 55.1953 18.0143 179.5686 18 A 4.2399 8.0519 117.9657 54.9420 18.4255 179.9322 19 R 4.1081 7.8731 116.1883 60.1352 30.5224 178.6467 20 S 4.2347 8.0734 114.1584 60.6922 63.3304 176.0105 21 S 4.3987 8.1004 116.5931 58.5200 63.5639 175.3748 22 G 3.8350 8.5512 108.3725 45.8279 0.0000 174.3527 23 G 3.7679 7.3309 107.9902 46.0419 0.0000 173.4601 24 A 4.5380 8.0663 121.5069 52.3393 21.6643 179.1149 25 V 3.4778 7.4896 108.9294 64.3176 31.5200 178.3715 26 W 4.9457 7.7237 118.3161 60.2334 29.0025 178.7131 27 G 3.6786 8.2066 104.8564 47.4559 0.0000 175.2616 28 D 4.3240 7.9953 120.3830 57.3767 41.2869 178.5305 29 V 3.6720 8.8182 119.3235 65.8137 31.4300 177.8725 30 A 4.0355 8.2409 120.8196 55.0935 18.0406 179.5218 31 E 4.1282 8.2028 117.1112 59.5533 29.3743 179.4851 32 R 3.9454 7.7429 117.4919 59.2915 30.1859 178.2870 33 L 3.8699 7.8981 118.1952 57.3959 41.6663 178.8845 34 E 4.1689 7.7761 117.6083 57.9339 29.5774 177.6423 35 K 4.2956 7.0394 117.6764 54.7887 33.0946 174.7766 36 P 4.1925 0.0000 0.0000 63.1178 31.9899 177.7817 37 R 3.4707 8.7052 121.0199 59.2176 30.1959 179.1650 38 R 3.9598 7.9438 113.2455 58.9520 29.3727 177.5882 39 T 4.1675 7.7219 107.4498 63.0968 69.4258 174.8507 40 H 4.3147 7.7206 119.0789 55.8400 29.4636 174.5695 41 A 4.3015 8.1064 122.9583 52.1757 19.7834 176.9730 42 E 4.7676 8.6405 119.5748 54.5717 31.5124 174.2133 43 V 4.4347 8.7143 123.9939 61.0177 34.3758 174.4741 44 N 5.7261 8.4017 123.5361 51.2684 40.7427 176.0750 45 L 4.0950 8.4957 120.2689 58.0136 41.4456 179.9811 46 G 3.7714 8.2270 105.2262 48.1731 0.0000 175.4167 47 R 3.9387 7.8678 120.7571 59.0363 30.1054 178.6501 48 I 3.7762 7.7018 119.3232 64.3614 36.9828 177.7972 49 E 3.9443 8.2642 119.4314 59.2178 29.4608 178.5443 50 R 3.8684 7.3665 118.2031 58.2329 30.1148 176.4686 51 Y 4.7556 7.3842 112.4165 57.4347 38.9160 175.1013 52 A 4.7993 7.7052 122.9230 50.7176 20.8142 177.0283 53 Q 4.5976 8.0823 116.1995 53.9679 31.7403 174.5994 54 E 3.8776 8.7125 119.9053 58.3718 29.9711 176.7977 55 D 4.4697 8.9063 119.8072 54.6994 38.2837 173.2651 56 E 4.7141 7.7948 119.5070 54.3866 32.0934 175.5762 57 T 4.2446 8.6150 125.4075 63.7214 69.7522 174.0694 58 V 4.2844 8.9231 127.8975 62.6116 33.1495 174.7830 59 V 4.7619 9.1951 128.3269 61.3284 33.8609 174.4540 60 V 4.5239 9.1696 130.2164 59.2608 32.5918 174.7807 61 P 4.6714 0.0000 0.0000 60.7612 30.5419 175.2808 62 G 4.1449 7.3045 118.5277 47.2091 0.0000 176.0843 63 K 4.9975 9.2931 126.9979 54.1905 36.0431 173.4963 64 V 4.8102 8.1009 125.7508 61.3202 33.5959 174.5874 65 L 4.9901 9.4769 128.5191 52.5018 44.9008 176.7296 66 G 3.8623 8.5225 107.2610 47.0470 0.0000 173.7736 67 S 4.4720 8.3721 116.7929 58.8525 64.4577 175.4897 68 G 4.1748 8.9092 110.3848 44.8619 0.0000 172.2453 69 V 4.3493 7.9583 117.0631 60.6091 33.7366 174.3729 70 L 4.8420 8.4950 127.9171 53.5198 43.9571 175.2243 71 Q 4.4649 9.7782 125.3517 57.0722 30.6160 176.8851 72 K 3.8816 8.2458 115.4399 57.3764 32.7910 176.8936 73 D 5.4714 8.5161 123.1627 52.5465 39.6831 175.0368 74 V 4.5341 7.6825 115.3253 59.5008 36.0017 174.8528 75 T 4.9128 8.3398 118.7711 62.2529 70.4612 173.6828 76 V 4.8553 8.7207 126.9920 61.0728 34.1554 174.1142 77 A 5.9400 9.8194 129.3008 49.5224 21.4216 174.9910 78 A 5.0827 8.4824 122.6267 49.1197 22.8567 176.8275 79 V 3.5302 8.4173 119.0870 66.1207 32.2100 175.3938 80 D 4.5891 7.0406 117.0233 53.7404 44.3889 174.5349 81 F 5.4714 8.9131 119.8397 55.3368 43.0934 175.1760 82 S 4.3555 8.9387 116.8509 58.0358 64.0298 175.5592 83 G 3.6831 8.8874 107.2816 48.4372 0.0000 176.1065 84 T 3.9085 7.9138 117.5613 66.1491 68.4645 176.1882 85 A 4.0216 8.0950 122.6770 55.5517 18.3350 179.2720 86 E 3.6848 8.2672 116.8880 59.4657 29.2943 179.4860 87 T 3.8704 7.2938 115.1204 66.5092 68.9361 176.4946 88 K 4.6050 8.1180 121.8470 59.0872 32.1091 179.4551 89 I 3.7360 8.0621 120.1101 64.4944 36.8843 178.0155 90 D 4.8574 7.5290 118.8077 55.8848 40.9269 178.2298 91 Q 4.1929 7.8936 119.0503 57.7703 28.8304 177.4707 92 V 4.5814 7.6613 109.9739 60.8389 34.3981 174.4629 93 G 4.0275 8.3676 111.3027 44.6989 0.0000 173.0737 94 E 5.0708 9.3826 125.1105 54.5777 33.3501 173.9088 95 A 4.8093 9.1013 129.7630 50.8225 20.0469 176.5755 96 V 4.5793 8.9675 122.5567 60.8277 35.6804 175.0758 97 S 4.8410 8.5672 119.9682 57.4740 64.2608 174.9766 98 L 3.8868 8.2193 124.2079 58.4745 41.1822 179.4848 99 E 3.8206 7.8415 117.5503 59.1192 29.2045 179.2722 100 Q 3.7995 8.1451 118.0745 58.5163 28.8988 177.9158 101 A 4.0294 7.9407 121.3025 55.6635 18.1989 179.4258 102 I 3.0939 7.1849 116.6233 64.2119 37.0629 178.0709 103 E 4.0966 7.2316 118.8892 59.2442 29.8377 178.0946 104 N 4.6420 8.2665 113.9298 54.5175 40.1857 175.4055 105 N 5.0755 8.1148 118.3035 52.2538 40.4959 173.1186 106 P 4.8092 0.0000 0.0000 65.0217 32.0377 177.7554 107 E 4.2329 8.5121 117.1294 56.0033 30.2408 176.4028 108 G 3.4672 8.1112 105.9982 46.1426 0.0000 172.5625 109 S 4.6002 8.2872 113.9742 57.7075 66.5515 174.4368 110 H 4.0154 8.4014 115.9823 57.4702 25.9790 174.5960 111 V 4.9507 7.4401 116.1104 59.8193 34.7712 175.9358 112 R 4.5457 9.0000 123.2501 54.5040 32.7331 174.4494 113 V 4.4482 8.4371 126.7021 62.7484 32.2461 175.1542 114 I 4.8158 8.6446 127.6542 59.4698 41.3171 175.8177 115 R 4.1846 8.4851 121.9568 56.3674 29.5335 174.9239 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 S 8.33 4.44 0.00 3.99 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 2 K 8.10 4.09 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.44 4.27 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 N 7.93 4.43 0.00 2.75 2.71 0.00 0.00 7.22 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 5 P 0.00 4.32 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.92 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 6 R 8.84 3.84 0.00 1.86 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 7 L 8.12 3.93 0.00 1.75 1.81 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.01 4.07 0.00 4.07 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 9 S 7.98 4.06 0.00 4.04 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 10 L 8.10 3.87 0.00 1.69 1.83 0.86 0.95 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 11 I 7.62 3.64 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.92 0.00 0.00 12 A 7.86 4.01 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 13 D 8.68 4.23 0.00 2.74 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 0.00 0.00 0.00 0.00 14 L 8.44 3.86 0.00 1.81 1.95 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.04 4.01 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 16 S 8.10 4.11 0.00 4.01 3.98 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 17 A 8.11 4.04 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.05 4.24 1.45 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 19 R 7.87 4.11 0.00 1.84 2.01 0.00 3.27 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 20 S 8.07 4.23 0.00 3.95 3.85 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 21 S 8.10 4.40 0.00 4.23 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 22 G 8.55 3.83 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 0.00 0.00 0.00 23 G 7.33 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 24 A 8.07 4.54 1.18 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 0.00 0.00 25 V 7.49 3.48 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 0.63 0.00 0.00 -0.44 0.00 0.00 26 W 7.72 4.95 0.00 3.33 3.23 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 0.00 27 G 8.21 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.00 4.32 0.00 3.07 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 29 V 8.82 3.67 2.31 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 1.02 0.00 0.00 1.15 0.00 0.00 30 A 8.24 4.04 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 31 E 8.20 4.13 0.00 2.22 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 2.34 2.46 0.00 32 R 7.74 3.95 0.00 1.83 2.08 0.00 3.50 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 33 L 7.90 3.87 0.00 1.64 1.67 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.78 4.17 0.00 2.12 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 2.36 2.53 0.00 35 K 7.04 4.30 0.00 1.95 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.19 0.00 2.15 1.98 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 37 R 8.71 3.47 0.00 1.79 1.92 0.00 3.11 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 38 R 7.94 3.96 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.72 4.17 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 1.21 0.00 0.00 40 H 7.72 4.31 0.00 3.28 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.11 4.30 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 42 E 8.64 4.77 0.00 1.80 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 0.00 2.20 2.29 0.00 43 V 8.71 4.43 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.40 5.73 0.00 2.70 2.94 0.00 0.00 7.62 6.74 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 45 L 8.50 4.10 0.00 1.85 1.74 0.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.23 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 47 R 7.87 3.94 0.00 1.89 1.99 0.00 3.23 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 48 I 7.70 3.78 2.03 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 1.58 1.14 0.96 0.00 0.00 49 E 8.26 3.94 0.00 1.95 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 0.00 2.43 2.31 0.00 50 R 7.37 3.87 0.00 1.61 1.32 0.00 2.48 0.00 0.00 2.94 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.27 0.00 51 Y 7.38 4.76 0.00 2.95 2.86 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 52 A 7.71 4.80 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 53 Q 8.08 4.60 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 54 E 8.71 3.88 0.00 1.98 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 0.00 2.57 2.36 0.00 55 D 8.91 4.47 0.00 2.84 2.79 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 56 E 7.79 4.71 0.00 1.95 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 2.23 2.38 0.00 57 T 8.61 4.24 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 1.37 0.00 0.00 58 V 8.92 4.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.20 4.76 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 1.08 0.00 0.00 1.14 0.00 0.00 60 V 9.17 4.52 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 0.96 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.67 0.00 2.14 2.24 0.00 3.93 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.30 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 63 K 9.29 5.00 0.00 1.69 1.54 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.33 7.81 64 V 8.10 4.81 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 1.05 0.00 0.00 0.77 0.00 0.00 65 L 9.48 4.99 0.00 1.75 1.54 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.52 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 0.00 0.00 0.00 67 S 8.37 4.47 0.00 4.09 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 68 G 8.91 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 69 V 7.96 4.35 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.49 4.84 0.00 1.60 1.52 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.78 4.46 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.25 3.88 0.00 1.75 1.78 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.81 7.81 73 D 8.52 5.47 0.00 2.84 2.56 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 0.00 0.00 0.00 0.00 74 V 7.68 4.53 2.12 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 0.79 0.00 0.00 1.01 0.00 0.00 75 T 8.34 4.91 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 1.26 0.00 0.00 76 V 8.72 4.86 2.31 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 1.14 0.00 0.00 1.02 0.00 0.00 77 A 9.82 5.94 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 78 A 8.48 5.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.53 2.14 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 0.70 0.00 0.00 0.86 0.00 0.00 80 D 7.04 4.59 0.00 2.77 2.38 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 81 F 8.91 5.47 0.00 2.85 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 82 S 8.94 4.36 0.00 3.95 4.04 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 0.00 0.00 0.00 83 G 8.89 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.91 3.91 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 1.23 0.00 0.00 85 A 8.10 4.02 1.53 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 0.00 0.00 86 E 8.27 3.68 0.00 1.99 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 0.00 2.19 2.06 0.00 87 T 7.29 3.87 4.41 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 0.00 0.00 0.00 1.20 0.00 0.00 88 K 8.12 4.60 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 89 I 8.06 3.74 1.91 0.00 0.00 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 1.57 0.67 0.90 0.00 0.00 90 D 7.53 4.86 0.00 2.61 2.68 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 0.00 0.00 0.00 0.00 91 Q 7.89 4.19 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 92 V 7.66 4.58 2.22 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 0.86 0.00 0.00 0.96 0.00 0.00 93 G 8.37 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 94 E 9.38 5.07 0.00 2.01 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 2.16 2.22 0.00 95 A 9.10 4.81 0.63 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.97 4.58 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 0.93 0.00 0.00 97 S 8.57 4.84 0.00 4.10 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 98 L 8.22 3.89 0.00 1.70 1.58 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.84 3.82 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 2.28 2.31 0.00 100 Q 8.15 3.80 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.94 4.03 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 0.00 102 I 7.18 3.09 1.54 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.06 0.62 0.00 0.00 103 E 7.23 4.10 0.00 1.82 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 0.00 2.31 2.33 0.00 104 N 8.27 4.64 0.00 2.77 2.89 0.00 0.00 6.86 7.93 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 0.00 105 N 8.11 5.08 0.00 2.90 2.99 0.00 0.00 6.82 7.87 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 0.00 106 P 0.00 4.81 0.00 2.32 2.33 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.51 4.23 0.00 1.99 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 2.30 2.39 0.00 108 G 8.11 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.60 0.00 3.94 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 0.00 110 H 8.40 4.02 0.00 3.35 3.37 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.44 4.95 1.98 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 0.46 0.00 0.00 0.87 0.00 0.00 112 R 9.00 4.55 0.00 2.15 1.80 0.00 3.14 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.44 4.45 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 0.87 0.00 0.00 0.90 0.00 0.00 114 I 8.64 4.82 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.99 0.00 0.00 115 R 8.49 4.18 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00