NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6915 8.3049 120.2763 55.3903 34.0496 173.9536 2 I 4.5116 8.4420 120.6060 58.7367 40.1872 171.7857 3 E 4.2868 10.0543 128.7912 55.6093 31.4033 174.6770 4 I 5.1626 8.0513 125.9984 59.4408 41.5550 174.0231 5 T 4.7128 8.6193 118.7322 60.0012 71.0189 173.4087 6 L 4.7350 8.2596 124.5751 53.1283 43.4248 177.0410 7 K 4.1381 8.6310 120.7468 59.0704 32.6585 177.9498 8 K 4.7017 7.4915 116.2596 53.9836 35.8119 175.2870 9 P 4.4598 0.0000 0.0000 64.6501 32.2402 178.3382 10 E 3.8468 8.3854 119.4897 59.8480 29.3977 178.3586 11 D 4.3131 7.9242 118.4906 57.5659 40.7271 178.8524 12 F 3.7824 7.7052 120.6501 61.6873 39.1545 177.4253 13 L 4.0865 8.4921 118.4094 57.2470 41.3811 179.3232 14 K 3.8194 7.8362 119.3103 59.3764 32.2350 178.7754 15 V 3.4714 8.1604 118.7359 65.9697 31.2334 177.6316 16 K 3.6748 7.7164 118.1569 59.6310 32.2827 177.9231 17 E 4.0913 8.3940 119.5092 59.5856 29.5111 178.8594 18 T 3.9434 8.1069 115.9609 66.6784 68.3682 176.6105 19 L 3.9656 8.0215 120.7069 57.7387 41.3403 179.4912 20 T 4.0095 7.5962 114.5333 65.4233 68.4471 175.0219 21 R 4.5306 8.1184 120.0060 55.7981 30.9707 174.9633 22 M 5.0798 7.7525 118.1325 54.6959 35.5269 174.3435 23 G 4.5613 8.1907 112.0847 47.7178 0.0000 170.8318 24 I 4.6510 8.2582 121.9492 61.0263 38.3399 175.3887 25 A 5.1413 8.7451 128.6103 50.7632 21.5246 176.2112 26 N 5.0003 9.5869 119.0389 51.6108 39.6214 174.7835 27 N 4.7227 8.9317 121.7183 54.8894 39.3862 176.8327 28 K 4.0686 8.3225 119.1005 59.0313 32.4539 177.7908 29 D 4.6320 8.1504 116.6508 55.5477 41.8818 177.5031 30 K 2.8990 6.9881 114.9422 57.0200 29.2867 173.9773 31 V 4.9345 7.8192 122.1386 60.9670 34.9353 174.8966 32 L 5.2540 9.0386 128.9812 53.5503 45.3833 174.3892 33 Y 5.4613 9.1470 124.2710 55.4665 39.3637 174.9866 34 Q 4.2299 8.7617 126.1966 57.2028 29.5479 177.0265 35 S 4.2932 8.6189 121.1710 60.4354 63.8371 173.8274 36 C 5.2370 7.6426 114.6021 58.2087 31.6395 172.7418 37 H 4.9693 9.4204 117.5932 54.0480 33.1195 172.0043 38 I 4.9077 8.1942 119.3200 59.3855 39.7639 174.4965 39 L 5.1864 8.8334 128.1583 53.0437 45.7254 174.9582 40 Q 5.2277 8.9507 122.7834 54.4371 31.0847 174.9727 41 K 4.5133 8.9398 125.3067 55.7252 35.6127 176.3438 42 K 3.8367 9.9177 124.5620 57.3045 30.6056 175.8725 43 G 3.8805 8.3999 105.9128 44.8397 0.0000 174.3611 44 L 4.3211 7.7457 119.5112 53.6069 43.5291 174.9316 45 Y 5.2502 7.7322 117.8340 57.0812 40.9403 174.3423 46 Y 5.2880 8.9303 118.3659 56.7249 43.2594 173.9885 47 I 4.7805 8.6970 123.8916 60.0320 39.4205 174.8907 48 V 4.8174 8.6510 126.7888 61.0431 34.4492 174.7794 49 H 4.6834 9.1675 127.6589 55.5554 30.7886 175.8424 50 F 4.2016 9.1987 120.6798 60.3309 37.4532 177.9501 51 K 3.7099 7.0563 118.2169 59.0719 31.7081 178.9609 52 E 4.1318 7.9658 118.5993 59.4185 29.2895 179.2047 53 M 3.9671 7.6919 118.4877 57.9717 32.0296 178.5135 54 L 4.2319 8.1093 119.3585 57.9280 41.8268 179.4837 55 R 4.5299 8.4743 120.3505 59.1725 29.7336 178.2785 56 M 4.0972 7.9494 117.3966 58.4465 32.3430 177.1777 57 D 4.6933 8.0951 116.1287 54.7121 41.1157 177.0654 58 G 4.0763 7.9374 108.2058 45.1135 0.0000 174.5967 59 R 4.0545 8.0649 120.1911 56.0204 30.5872 176.0051 60 Q 4.2230 8.4033 124.0702 54.6101 27.7749 174.2738 61 V 4.5087 7.8490 122.0276 60.1913 34.7517 174.5225 62 E 4.6150 8.4050 122.6273 54.2408 31.8217 175.6882 63 M 4.1493 8.5910 123.1251 55.7186 32.8563 176.3823 64 T 4.4444 8.5444 112.1910 60.1568 72.0579 175.6272 65 E 3.9066 8.5361 121.4225 59.6846 29.5621 178.4034 66 E 3.8230 8.2071 117.8800 59.7026 29.6063 179.0956 67 D 4.2875 7.8435 118.5058 57.3978 40.8783 178.7440 68 E 4.0767 8.2498 117.8636 58.8341 29.6296 179.1290 69 V 3.1017 7.6008 119.7939 65.8869 31.4899 177.7892 70 R 3.9788 7.9919 118.3284 59.4669 29.7393 178.4740 71 R 3.8060 7.8843 117.8556 59.6715 30.1458 178.2891 72 D 4.4142 8.3687 118.7984 57.4714 40.8167 178.9916 73 S 4.4261 8.5813 116.0505 61.3542 62.9624 176.5532 74 I 3.1896 7.8719 122.7797 64.1106 36.9034 178.3046 75 A 3.7772 8.1112 121.6158 55.0736 18.2763 179.7785 76 W 4.1978 8.3784 117.7745 59.6805 28.9335 178.6349 77 L 3.7758 7.9089 120.5276 58.0076 41.5484 179.0021 78 L 4.1569 7.6410 118.7111 57.3502 41.3689 179.2185 79 E 4.4311 7.8956 120.7956 58.7514 29.4163 178.0596 80 D 4.4020 7.9795 116.9274 57.2505 41.3656 177.7422 81 W 4.6821 8.6222 117.2356 56.4394 30.2525 175.9100 82 G 4.0327 8.7648 107.7345 47.1718 0.0000 173.7294 83 L 4.8941 8.4063 115.7861 54.4374 45.1609 178.7899 84 I 4.8223 7.6504 110.4114 59.1419 41.6044 174.0006 85 E 4.9667 9.0770 122.5917 54.7193 32.7974 174.9738 86 I 4.4175 8.2535 123.8949 59.5019 38.4531 176.0650 87 V 3.7206 8.1511 128.0179 62.3450 31.7199 174.2422 88 P 4.3113 0.0000 0.0000 64.3759 31.6989 176.1806 89 G 3.9942 9.1356 108.4357 45.7800 0.0000 172.9359 90 Q 4.5933 7.7912 116.5467 53.5862 31.4641 175.4016 91 R 4.3643 8.3898 121.0651 55.1943 30.0810 175.4439 92 T 4.7427 8.0365 114.2411 59.4093 72.1233 173.4925 93 F 4.3409 9.3160 121.2433 57.7921 38.4127 175.7631 94 M 3.9823 8.6097 125.0616 54.8374 32.9692 176.3024 95 K 4.4326 7.7816 117.9526 54.2528 34.7230 175.5115 96 D 4.6063 8.5657 123.3600 53.6410 42.1421 175.0007 97 L 4.2602 7.8145 121.3379 56.4037 45.5686 174.2255 98 T 3.4280 8.7876 118.8257 62.2083 66.8083 170.9382 99 N 4.2117 8.3625 118.5923 54.3962 38.7354 174.7021 100 N 5.0790 8.4233 122.0596 52.5362 41.3619 172.0176 101 F 5.0007 7.4580 112.2927 56.2954 41.1855 172.9184 102 R 4.5546 9.3991 119.0304 54.5525 32.4796 174.4158 103 V 4.9080 8.4323 125.6852 61.5340 33.2857 174.6176 104 I 4.5425 8.1791 128.3828 59.2632 39.2512 176.0280 105 S 4.3879 9.6100 120.9843 57.6218 64.1584 175.0788 106 F 4.1341 8.8765 123.8059 60.8096 39.0927 176.3744 107 K 4.2926 7.8837 118.6137 56.7793 32.7028 177.3668 108 Q 4.6817 8.0606 118.7486 57.6562 28.6436 177.5370 109 K 3.7645 7.2839 120.4548 60.3142 31.9470 177.6535 110 H 4.5124 7.7899 113.1724 57.4058 29.1417 176.8277 111 E 4.1267 8.6785 121.2669 57.2324 29.4122 176.1991 112 W 4.9084 7.3920 117.5195 54.9535 31.5763 175.9759 113 K 4.3661 9.0616 124.8067 55.2647 33.0416 175.3132 114 L 4.8565 8.5070 128.4982 53.5871 42.9190 176.5379 115 V 4.2992 8.4171 125.7863 59.8673 33.6637 172.9302 116 P 4.6863 0.0000 0.0000 63.2067 31.0398 176.8591 117 K 3.9551 8.1840 123.3428 57.9070 32.8267 177.3486 118 Y 4.8580 8.3431 120.9389 62.6394 36.4651 179.0216 119 T 3.6808 6.6810 117.4388 63.8954 65.2979 173.9238 120 I 3.7537 7.7540 116.9427 60.9370 37.4226 176.9284 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 4.69 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 2 I 8.44 4.51 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.76 0.00 0.00 3 E 10.05 4.29 0.00 2.04 1.72 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 1.86 1.59 0.00 4 I 8.05 5.16 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.12 0.87 0.00 0.00 5 T 8.62 4.71 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 6 L 8.26 4.74 0.00 1.32 1.49 0.82 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.63 4.14 0.00 1.72 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 8 K 7.49 4.70 0.00 1.94 1.69 0.00 1.64 0.00 0.00 2.11 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 9 P 0.00 4.46 0.00 2.25 2.35 0.00 3.70 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 2.08 2.00 0.00 10 E 8.39 3.85 0.00 2.07 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 2.40 2.47 0.00 11 D 7.92 4.31 0.00 2.88 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 12 F 7.71 3.78 0.00 2.87 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 13 L 8.49 4.09 0.00 1.83 1.75 1.24 1.42 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 14 K 7.84 3.82 0.00 1.76 1.86 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.37 7.81 15 V 8.16 3.47 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 0.80 0.00 0.00 0.90 0.00 0.00 16 K 7.72 3.67 0.00 1.65 1.83 0.00 1.91 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.28 7.81 17 E 8.39 4.09 0.00 2.14 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 2.39 2.56 0.00 18 T 8.11 3.94 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 1.39 0.00 0.00 19 L 8.02 3.97 0.00 1.79 1.78 0.81 0.67 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 20 T 7.60 4.01 4.51 0.00 0.00 0.00 0.00 0.00 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 21 R 8.12 4.53 0.00 2.00 2.03 0.00 3.13 0.00 0.00 3.58 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 22 M 7.75 5.08 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 23 G 8.19 4.56 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 0.00 0.00 0.00 24 I 8.26 4.65 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.99 0.00 0.00 25 A 8.75 5.14 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 26 N 9.59 5.00 0.00 2.97 3.05 0.00 0.00 7.45 6.75 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 27 N 8.93 4.72 0.00 2.84 2.98 0.00 0.00 7.15 7.61 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 28 K 8.32 4.07 0.00 1.72 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.45 7.81 29 D 8.15 4.63 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.99 2.90 0.00 1.35 0.98 0.00 1.08 0.00 0.00 0.65 0.00 0.00 2.44 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.79 7.81 31 V 7.82 4.93 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 0.37 0.00 0.00 0.94 0.00 0.00 32 L 9.04 5.25 0.00 1.69 1.44 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.15 5.46 0.00 2.96 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 34 Q 8.76 4.23 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 35 S 8.62 4.29 0.00 3.92 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 36 C 7.64 5.24 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 9.42 4.97 0.00 2.97 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.19 4.91 1.66 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.16 0.00 0.00 39 L 8.83 5.19 0.00 1.75 1.61 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.95 5.23 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 41 K 8.94 4.51 0.00 1.85 1.62 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.42 7.81 42 K 9.92 3.84 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.47 7.81 43 G 8.40 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 44 L 7.75 4.32 0.00 1.71 1.16 0.88 0.79 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 45 Y 7.73 5.25 0.00 3.04 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 46 Y 8.93 5.29 0.00 2.90 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 47 I 8.70 4.78 1.83 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 1.05 0.93 0.85 0.00 0.00 48 V 8.65 4.82 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 0.74 0.00 0.00 0.97 0.00 0.00 49 H 9.17 4.68 0.00 3.24 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.20 4.20 0.00 3.35 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.06 3.71 0.00 1.46 1.66 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 0.21 7.81 52 E 7.97 4.13 0.00 2.07 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 2.27 2.29 0.00 53 M 7.69 3.97 0.00 0.97 1.61 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 54 L 8.11 4.23 0.00 2.11 1.79 1.20 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.47 4.53 0.00 1.94 2.02 0.00 3.38 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 56 M 7.95 4.10 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 57 D 8.10 4.69 0.00 2.91 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 58 G 7.94 4.08 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 0.00 0.00 0.00 59 R 8.06 4.05 0.00 2.23 1.89 0.00 3.20 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 60 Q 8.40 4.22 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 61 V 7.85 4.51 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 0.86 0.00 0.00 0.95 0.00 0.00 62 E 8.40 4.61 0.00 2.01 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 2.14 2.33 0.00 63 M 8.59 4.15 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 64 T 8.54 4.44 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 1.19 0.00 0.00 65 E 8.54 3.91 0.00 2.06 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 2.49 2.53 0.00 66 E 8.21 3.82 0.00 2.02 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 0.00 2.37 2.40 0.00 67 D 7.84 4.29 0.00 2.81 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 0.00 0.00 0.00 0.00 68 E 8.25 4.08 0.00 2.38 2.25 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 2.62 2.57 0.00 69 V 7.60 3.10 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 0.96 0.00 0.00 -0.14 0.00 0.00 70 R 7.99 3.98 0.00 2.11 2.03 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 71 R 7.88 3.81 0.00 2.02 2.09 0.00 3.17 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 72 D 8.37 4.41 0.00 3.25 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 73 S 8.58 4.43 0.00 4.06 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 74 I 7.87 3.19 1.78 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 0.46 -0.36 0.67 0.00 0.00 75 A 8.11 3.78 1.14 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 76 W 8.38 4.20 0.00 3.50 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 77 L 7.91 3.78 0.00 1.81 1.46 0.52 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.64 4.16 0.00 1.82 1.76 0.85 1.06 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 79 E 7.90 4.43 0.00 1.92 2.20 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 2.42 2.37 0.00 80 D 7.98 4.40 0.00 2.84 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 81 W 8.62 4.68 0.00 3.56 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 82 G 8.76 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 83 L 8.41 4.89 0.00 1.68 1.68 1.09 0.52 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 84 I 7.65 4.82 1.76 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 1.28 0.69 0.83 0.00 0.00 85 E 9.08 4.97 0.00 1.84 1.81 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 2.20 2.23 0.00 86 I 8.25 4.42 1.42 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.15 0.62 0.00 0.00 87 V 8.15 3.72 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 0.77 0.00 0.00 0.91 0.00 0.00 88 P 0.00 4.31 0.00 2.23 2.07 0.00 3.78 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 1.99 1.97 0.00 89 G 9.14 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 0.00 0.00 0.00 90 Q 7.79 4.59 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 91 R 8.39 4.36 0.00 1.74 1.81 0.00 3.13 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 92 T 8.04 4.74 4.58 0.00 0.00 0.00 0.00 0.00 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 93 F 9.32 4.34 0.00 3.11 3.04 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 94 M 8.61 3.98 0.00 1.40 1.89 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 95 K 7.78 4.43 0.00 1.69 1.66 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.30 7.81 96 D 8.57 4.61 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.26 0.00 1.64 1.47 0.92 1.05 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 98 T 8.79 3.43 4.09 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 0.00 0.00 0.00 1.14 0.00 0.00 99 N 8.36 4.21 0.00 2.71 2.83 0.00 0.00 6.68 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.42 5.08 0.00 2.62 2.65 0.00 0.00 6.96 7.02 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 0.00 101 F 7.46 5.00 0.00 3.16 2.96 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 0.00 102 R 9.40 4.55 0.00 1.85 1.92 0.00 3.00 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.26 0.00 103 V 8.43 4.91 2.24 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 1.21 0.00 0.00 1.21 0.00 0.00 104 I 8.18 4.54 1.52 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.00 0.68 0.00 0.00 105 S 9.61 4.39 0.00 3.99 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 0.00 106 F 8.88 4.13 0.00 3.02 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 0.00 107 K 7.88 4.29 0.00 1.74 1.80 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 108 Q 8.06 4.68 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.43 0.00 0.00 0.00 0.00 0.00 2.55 2.29 0.00 109 K 7.28 3.76 0.00 1.80 1.52 0.00 1.67 0.00 0.00 0.94 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.08 1.40 7.81 110 H 7.79 4.51 0.00 3.13 3.31 0.00 5.94 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.68 4.13 0.00 2.28 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 2.35 2.51 0.00 112 W 7.39 4.91 0.00 3.25 3.14 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 0.00 113 K 9.06 4.37 0.00 1.76 1.64 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.38 7.81 114 L 8.51 4.86 0.00 1.56 1.58 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.42 4.30 1.42 0.00 0.00 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 0.74 0.00 0.00 116 P 0.00 4.69 0.00 2.21 2.13 0.00 3.80 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 2.01 2.05 0.00 117 K 8.18 3.96 0.00 1.16 0.74 0.00 1.58 0.00 0.00 0.97 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.02 1.32 7.81 118 Y 8.34 4.86 0.00 2.97 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 0.00 119 T 6.68 3.68 4.31 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 0.00 0.00 0.00 1.24 0.00 0.00 120 I 7.75 3.75 1.85 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 1.44 0.39 1.00 0.00 0.00