NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3359 8.5445 116.7566 55.2919 31.3053 176.2035 3 E 4.0656 8.7069 120.8435 53.5010 30.4247 171.3479 4 L 4.2034 9.3985 124.8555 55.9026 43.5974 175.9251 5 Q 4.7527 8.9649 123.9811 54.0176 32.7799 174.6076 6 V 4.4756 8.2740 121.2133 61.4534 34.0489 174.1535 7 I 4.5446 8.9420 130.2097 59.8653 39.2791 175.0327 8 Q 5.0362 8.6891 127.4123 53.5608 28.6617 173.9833 9 P 4.3504 0.0000 0.0000 64.3995 31.9593 176.4161 10 D 4.8746 7.8958 119.2406 52.5678 42.1823 176.4570 11 K 4.3895 8.6870 124.3740 59.2387 33.2454 177.0007 12 S 5.3150 7.7425 111.8039 57.2007 65.8138 173.9293 13 I 4.7803 9.0665 114.4846 59.3788 41.2654 173.7260 14 S 5.2138 8.6025 117.4010 56.8300 65.0569 173.2759 15 V 4.6578 8.5294 118.1533 59.5812 36.5313 174.5037 16 A 4.9604 9.5633 124.0873 50.2017 20.1648 177.2007 17 A 4.2377 8.4860 122.6726 54.1534 18.8154 177.7178 18 G 4.2640 9.3177 111.3067 44.7013 0.0000 173.8156 19 E 4.4378 7.9687 119.1885 55.9041 31.0973 176.0693 20 S 5.0548 8.4276 115.1261 57.3209 65.1771 173.1922 21 A 4.6284 8.5280 123.3129 50.5004 21.4093 175.5245 22 T 4.6287 8.3221 119.0105 61.7984 70.5609 173.8994 23 L 4.4117 8.4771 127.8570 53.2639 43.4656 175.5614 24 H 5.2277 8.7737 121.5473 55.2759 30.3166 175.5132 25 C 5.2792 9.2140 121.4628 55.9050 45.1063 172.7297 26 T 5.3816 9.3001 122.1769 61.8246 72.4437 172.9761 27 V 4.9025 8.8003 125.0445 61.8543 32.0977 175.7032 28 T 4.4037 8.6734 118.8619 62.9217 69.5927 174.9380 29 S 4.7265 7.8289 115.0355 56.5744 65.5764 173.3552 30 L 4.4011 8.5203 123.6232 55.4414 42.0549 176.9077 31 I 4.5272 7.3658 119.9974 58.2517 39.7801 173.8443 32 P 4.3419 0.0000 0.0000 62.2225 31.9826 176.6595 33 V 3.7237 8.1945 113.3068 60.7280 32.1316 175.7722 34 G 4.9445 8.2618 113.4201 44.0701 0.0000 170.2985 35 P 4.7032 0.0000 0.0000 62.4070 33.3053 175.0205 36 I 4.7451 8.3887 121.3843 60.4771 38.9721 175.1174 37 Q 4.8859 9.1451 123.8613 53.9671 33.3253 174.0733 38 W 5.3120 9.0634 121.6945 55.1215 32.2081 175.0098 39 F 5.4989 9.5258 121.2536 55.8083 43.1791 173.7032 40 R 4.3343 9.3234 122.1715 55.8566 31.7135 177.1575 41 G 4.1467 9.8930 114.3475 45.0255 0.0000 171.6557 42 A 4.3760 7.8552 119.5030 51.2823 22.2773 176.6506 43 G 3.8549 8.3472 106.8134 44.0818 0.0000 172.7800 44 P 4.2188 0.0000 0.0000 64.9739 31.2103 177.8829 45 G 3.9121 7.9035 105.0633 45.3044 0.0000 174.1096 46 R 4.1925 7.7248 116.7643 56.1215 30.1527 175.3414 47 E 4.7610 8.9779 121.0115 54.2013 31.7614 174.7688 48 L 4.1711 8.9206 129.6581 55.6263 42.1248 176.1210 49 I 4.4365 8.4668 127.2216 62.8236 39.1954 175.6281 50 Y 3.1229 6.9233 120.2396 55.8818 41.0951 172.9002 51 N 4.3603 5.9709 123.6046 51.4023 41.4534 174.3399 52 Q 4.1488 8.4495 128.4346 58.6845 29.2414 177.8100 53 K 4.0554 8.4717 119.9807 58.8385 32.3887 176.1441 54 E 4.5190 7.5289 110.5852 56.0119 32.2959 175.4308 55 G 3.7549 8.8217 105.1930 45.6419 0.0000 172.4503 56 H 4.7068 7.5559 115.4668 53.8631 31.3762 175.0433 57 F 4.8882 8.2822 122.6577 54.8745 39.1094 173.7876 58 P 4.3310 0.0000 0.0000 65.4023 31.9473 178.8400 59 R 4.1450 8.1185 117.3727 57.7942 31.1691 176.0947 60 V 4.7552 7.9097 120.1038 61.2478 33.1572 175.0995 61 T 4.7722 8.6458 118.2609 59.7753 71.4626 173.4814 62 T 4.2177 8.4179 115.7701 61.5791 69.2832 174.8011 63 V 3.6964 8.4393 124.9556 65.6293 32.0733 176.3868 64 S 4.5279 7.7886 114.2318 56.6569 65.1296 173.2880 65 D 4.5863 8.1306 121.0603 53.0962 39.9676 176.7257 66 L 4.1982 8.3183 127.0788 56.5734 41.9436 178.8346 67 T 4.0656 7.9456 108.8131 63.6363 69.2334 175.3277 68 K 4.1302 7.8989 123.4058 56.1452 32.5127 178.2232 69 R 4.0103 8.7625 122.6378 58.7731 30.1613 177.2360 70 N 5.0043 7.8248 112.8626 52.5756 39.3754 173.8290 71 N 4.3172 8.0406 117.5780 54.4800 39.4042 174.3865 72 M 4.8253 8.5340 122.3560 54.9796 34.6967 174.2094 73 D 5.0047 7.8955 119.5111 52.6139 42.0882 175.9312 74 F 4.9163 8.9023 126.0015 57.2455 40.2651 176.1765 75 S 4.8602 8.3739 115.5687 58.9158 63.9201 173.5778 76 I 4.8193 8.3005 116.0679 58.9191 41.2450 173.9337 77 R 4.8434 8.7534 124.0046 54.6449 32.6577 174.2477 78 I 4.7180 8.3579 127.6975 59.7775 39.0746 175.4086 79 S 4.3878 8.8336 123.9490 58.3261 63.9281 173.8558 80 N 4.2083 8.5471 119.2071 54.5608 36.9555 173.6700 81 I 4.1563 8.2234 121.3606 61.6132 38.3948 176.1701 82 T 4.9257 9.0175 114.3667 58.6592 71.8403 173.0124 83 P 4.2155 0.0000 0.0000 65.7095 31.3831 178.8211 84 A 4.0988 7.5460 118.9202 54.8870 18.2906 177.9668 85 D 4.6560 8.2500 114.1248 55.1447 41.3863 176.9481 86 A 4.2841 7.8191 123.2225 51.3051 19.1160 177.9353 87 G 3.9496 7.4777 108.4445 45.7493 0.0000 170.5095 88 T 5.0106 7.7005 115.6399 62.0236 70.9230 173.4650 89 Y 5.2108 8.9761 124.0914 56.4146 41.0069 174.2173 90 Y 5.1632 9.4154 121.7454 56.3472 41.3057 173.7844 91 C 3.6800 8.9709 124.8120 55.0055 45.0801 172.3825 92 V 4.8268 8.5401 126.0037 60.9925 34.6128 173.9155 93 K 4.5776 9.1318 130.3314 55.9474 33.4778 175.6022 94 F 5.2417 9.4916 126.5109 55.9086 42.0456 174.6841 95 R 5.3578 8.7414 116.9039 52.7047 33.2115 174.7428 96 K 4.1964 8.7105 118.7260 57.1646 32.6499 177.0831 97 G 4.1157 8.0775 110.2694 43.8033 0.0000 171.3697 98 S 4.4834 8.3418 115.2392 56.3758 65.8600 172.4097 99 P 4.3189 0.0000 0.0000 65.2849 31.5774 176.4964 100 D 4.8283 7.6513 118.0201 52.0703 42.8231 175.1349 101 H 4.6306 8.5551 117.4091 56.5462 29.4045 175.5601 102 V 4.7447 8.8115 114.4031 59.0569 35.3234 174.8500 103 E 2.6494 8.5521 124.3094 56.8511 29.4699 175.2543 104 F 4.8350 8.8270 128.9178 59.1896 40.8877 175.5316 105 K 4.2173 7.3974 118.4900 54.9564 35.4152 173.9618 106 S 4.8822 8.4668 122.3758 56.9189 63.4997 173.7075 107 G 3.9869 9.4029 114.2892 45.4109 0.0000 173.9266 108 A 4.1960 8.6551 121.3753 52.6623 18.7791 178.8923 109 G 3.7055 8.7424 100.9706 45.5261 0.0000 173.4835 110 T 4.8483 8.3613 115.4803 61.7781 72.8745 173.1669 111 E 4.5758 9.4207 127.7199 55.9191 31.0668 175.4935 112 L 5.1183 9.4328 128.1841 53.6002 43.8665 175.0417 113 S 5.0664 8.8803 121.7894 56.6536 65.8102 173.4101 114 V 4.5840 8.3882 122.3910 61.5521 32.8040 174.6837 115 R 4.7019 8.8856 127.6581 54.0561 33.1912 176.3437 116 A 4.1521 8.6169 125.4596 52.4668 18.5726 176.9464 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 E 8.54 4.34 0.00 2.01 1.83 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 2.13 1.88 0.00 3 E 8.71 4.07 0.00 2.06 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 2.23 1.93 0.00 4 L 9.40 4.20 0.00 1.92 1.88 1.11 0.81 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 5 Q 8.96 4.75 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 6 V 8.27 4.48 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 1.01 0.00 0.00 0.93 0.00 0.00 7 I 8.94 4.54 1.91 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 1.25 0.67 0.94 0.00 0.00 8 Q 8.69 5.04 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.11 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 9 P 0.00 4.35 0.00 2.20 2.21 0.00 4.03 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 10 D 7.90 4.87 0.00 2.74 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 11 K 8.69 4.39 0.00 1.73 1.87 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.46 7.81 12 S 7.74 5.32 0.00 3.91 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 13 I 9.07 4.78 1.82 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 1.05 0.78 0.88 0.00 0.00 14 S 8.60 5.21 0.00 3.84 3.72 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 0.00 0.00 0.00 15 V 8.53 4.66 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 0.64 0.00 0.00 0.88 0.00 0.00 16 A 9.56 4.96 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 17 A 8.49 4.24 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 18 G 9.32 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 0.00 0.00 0.00 0.00 19 E 7.97 4.44 0.00 2.07 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 2.30 2.23 0.00 20 S 8.43 5.05 0.00 3.88 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 21 A 8.53 4.63 1.02 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 22 T 8.32 4.63 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 1.07 0.00 0.00 23 L 8.48 4.41 0.00 0.53 0.98 -0.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.77 5.23 0.00 3.12 3.29 0.00 5.73 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 25 C 9.21 5.28 0.00 3.21 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 26 T 9.30 5.38 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 1.31 0.00 0.00 27 V 8.80 4.90 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 0.86 0.00 0.00 0.86 0.00 0.00 28 T 8.67 4.40 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 29 S 7.83 4.73 0.00 3.82 3.76 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 30 L 8.52 4.40 0.00 1.70 1.73 0.96 0.86 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 31 I 7.37 4.53 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.86 0.00 0.00 32 P 0.00 4.34 0.00 1.87 1.72 0.00 3.52 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.00 33 V 8.19 3.72 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 0.83 0.00 0.00 0.92 0.00 0.00 34 G 8.26 4.94 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 0.00 0.00 0.00 35 P 0.00 4.70 0.00 1.95 2.04 0.00 3.61 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.64 0.00 36 I 8.39 4.75 1.48 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.05 0.81 0.00 0.00 37 Q 9.15 4.89 0.00 1.86 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 38 W 9.06 5.31 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 39 F 9.53 5.50 0.00 3.12 3.02 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 40 R 9.32 4.33 0.00 1.36 1.65 0.00 2.99 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 41 G 9.89 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 42 A 7.86 4.38 0.97 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 0.00 0.00 43 G 8.35 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 0.00 0.00 0.00 44 P 0.00 4.22 0.00 2.03 2.11 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 45 G 7.90 3.91 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 0.00 0.00 0.00 46 R 7.72 4.19 0.00 2.23 1.96 0.00 2.41 0.00 0.00 2.85 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 47 E 8.98 4.76 0.00 2.11 1.91 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 2.32 2.32 0.00 48 L 8.92 4.17 0.00 1.86 1.70 0.46 1.19 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 49 I 8.47 4.44 2.15 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 1.48 1.33 0.98 0.00 0.00 50 Y 6.92 3.12 0.00 2.83 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 51 N 5.97 4.36 0.00 2.40 2.67 0.00 0.00 6.81 7.12 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 52 Q 8.45 4.15 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 53 K 8.47 4.06 0.00 1.60 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.39 7.81 54 E 7.53 4.52 0.00 1.99 1.83 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 2.13 2.18 0.00 55 G 8.82 3.75 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 0.00 0.00 0.00 56 H 7.56 4.71 0.00 2.93 3.08 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.28 4.89 0.00 3.25 3.17 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 58 P 0.00 4.33 0.00 2.19 2.20 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 59 R 8.12 4.14 0.00 1.84 2.03 0.00 3.13 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 60 V 7.91 4.76 2.36 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 0.49 0.00 0.00 0.99 0.00 0.00 61 T 8.65 4.77 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 1.20 0.00 0.00 62 T 8.42 4.22 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 1.00 0.00 0.00 63 V 8.44 3.70 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 0.77 0.00 0.00 0.86 0.00 0.00 64 S 7.79 4.53 0.00 3.89 3.74 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 65 D 8.13 4.59 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.20 0.00 1.76 1.81 1.23 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.95 4.07 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 1.27 0.00 0.00 68 K 7.90 4.13 0.00 1.93 1.77 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.53 7.81 69 R 8.76 4.01 0.00 1.81 2.02 0.00 3.33 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 70 N 7.82 5.00 0.00 2.67 2.79 0.00 0.00 6.84 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 71 N 8.04 4.32 0.00 2.65 2.65 0.00 0.00 6.85 7.81 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 72 M 8.53 4.83 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 73 D 7.90 5.00 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.90 4.92 0.00 3.07 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 75 S 8.37 4.86 0.00 3.77 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 76 I 8.30 4.82 1.39 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.25 0.39 0.00 0.00 77 R 8.75 4.84 0.00 1.70 1.76 0.00 2.99 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 78 I 8.36 4.72 1.67 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.15 0.85 0.00 0.00 79 S 8.83 4.39 0.00 3.72 3.76 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 80 N 8.55 4.21 0.00 2.90 2.74 0.00 0.00 7.10 7.41 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 81 I 8.22 4.16 1.94 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 1.40 0.64 0.89 0.00 0.00 82 T 9.02 4.93 4.25 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 1.27 0.00 0.00 83 P 0.00 4.22 0.00 2.21 2.18 0.00 3.61 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 2.13 2.11 0.00 84 A 7.55 4.10 1.33 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 0.00 0.00 85 D 8.25 4.66 0.00 2.83 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 86 A 7.82 4.28 1.31 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 0.00 0.00 87 G 7.48 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 88 T 7.70 5.01 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 0.84 0.00 0.00 89 Y 8.98 5.21 0.00 2.92 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 90 Y 9.42 5.16 0.00 3.06 2.88 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 91 C 8.97 3.68 0.00 1.26 2.51 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 0.00 92 V 8.54 4.83 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 0.90 0.00 0.00 1.18 0.00 0.00 93 K 9.13 4.58 0.00 1.88 1.84 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.61 1.67 7.81 94 F 9.49 5.24 0.00 3.17 3.02 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 95 R 8.74 5.36 0.00 1.66 1.78 0.00 2.87 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.00 96 K 8.71 4.20 0.00 1.64 1.77 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 97 G 8.08 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 98 S 8.34 4.48 0.00 3.80 3.74 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 99 P 0.00 4.32 0.00 2.18 2.17 0.00 3.76 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 2.00 1.99 0.00 100 D 7.65 4.83 0.00 2.80 2.67 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 0.00 101 H 8.56 4.63 0.00 3.11 3.55 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.81 4.74 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 0.79 0.00 0.00 0.96 0.00 0.00 103 E 8.55 2.65 0.00 1.34 1.54 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 1.97 1.80 0.00 104 F 8.83 4.83 0.00 2.84 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 0.00 105 K 7.40 4.22 0.00 0.95 1.29 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.31 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.22 1.16 7.81 106 S 8.47 4.88 0.00 3.91 3.56 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 0.00 107 G 9.40 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 0.00 108 A 8.66 4.20 1.33 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 0.00 0.00 109 G 8.74 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 0.00 110 T 8.36 4.85 4.38 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 1.23 0.00 0.00 111 E 9.42 4.58 0.00 1.90 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 0.00 2.33 2.37 0.00 112 L 9.43 5.12 0.00 1.66 1.90 0.84 0.58 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 0.00 113 S 8.88 5.07 0.00 3.94 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 0.00 114 V 8.39 4.58 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 0.83 0.00 0.00 0.99 0.00 0.00 115 R 8.89 4.70 0.00 1.74 1.78 0.00 3.17 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 116 A 8.62 4.15 1.23 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 0.00 0.00