NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6119 8.2076 120.1901 53.3395 41.4619 175.7483 10 P 4.1923 0.0000 0.0000 64.6141 31.3170 174.8529 11 E 4.0307 8.6723 120.9940 58.8590 30.0910 179.3316 12 A 4.0171 8.1837 120.6957 55.1283 18.4150 179.3416 13 L 3.8997 8.1197 118.4982 58.2865 42.1971 178.9835 14 A 4.0930 8.2628 120.5393 55.2701 18.0918 179.5051 15 A 4.1616 7.9905 118.3149 55.3563 18.5008 179.4548 16 E 4.0930 8.1094 116.4632 59.4716 29.5788 179.3042 17 I 3.8945 7.8476 119.5293 62.6603 37.4914 177.3959 18 G 3.9180 8.0552 107.1001 43.8832 0.0000 171.2612 19 P 4.3534 0.0000 0.0000 64.8547 31.7544 177.1652 20 V 3.8662 8.2622 119.2815 62.4723 32.0014 175.4789 21 K 4.4993 8.5463 124.8287 57.2342 34.0805 176.2727 22 Q 4.6645 7.5695 113.4831 54.9463 31.2149 173.7629 23 V 4.4927 8.0265 111.2588 59.6100 35.4763 174.9432 24 S 4.7133 8.5654 116.1876 56.4546 63.8228 173.3174 25 L 4.7551 8.3885 127.1993 52.8236 43.7740 176.9640 26 G 3.9856 8.1828 110.9043 44.4436 0.0000 173.5943 27 E 4.0789 8.6963 119.0961 58.0608 29.8306 176.7622 28 Q 4.6985 7.1515 111.5092 53.4043 31.7808 174.9550 29 I 3.7680 8.1912 119.3218 61.7794 37.6491 176.3506 30 D 4.5660 9.5501 124.6829 53.2390 41.3786 176.9524 31 A 3.9852 8.5200 130.2198 55.1384 18.5352 178.7783 32 A 3.9706 8.0335 118.9214 55.1356 18.4268 179.4793 33 L 3.9433 8.1982 118.4461 58.1463 42.1017 179.0585 34 A 4.0644 8.3039 121.0590 55.0401 18.4091 179.4307 35 Q 3.8692 8.2909 118.2321 59.2489 29.1385 178.0588 36 Q 4.0459 8.1888 120.7819 59.3037 29.0035 178.5408 37 G 3.7228 8.3476 106.8424 47.7936 0.0000 175.1334 38 E 2.5400 8.0274 121.4801 58.7232 29.6627 178.9244 39 Q 3.9627 7.7616 117.6286 59.1345 28.7232 179.0101 40 L 4.2126 8.1290 119.9037 57.5101 41.5356 179.3543 41 F 4.0818 8.5247 121.2829 61.1485 39.0988 176.5307 42 N 4.3155 8.1324 115.7052 57.1793 38.7741 176.6925 43 T 3.9319 7.7430 115.6597 66.4120 68.6776 175.6309 44 Y 4.4307 8.1587 116.3647 58.4313 39.3361 176.4229 45 C 4.5892 8.0858 116.3651 60.5655 30.6292 176.3480 46 T 4.1366 7.8311 113.9814 65.4181 68.2185 175.2863 47 A 4.2216 8.0145 123.5022 54.4946 18.6547 177.7035 48 C 4.9876 8.4324 111.2573 59.4520 30.4244 173.5045 49 H 5.2985 8.0980 116.0390 53.8946 31.8625 172.8294 50 R 4.7035 8.3360 120.7653 54.3458 33.0010 177.2866 51 L 4.0887 8.4799 119.3944 57.2843 41.9034 178.5112 52 D 5.0898 7.9484 114.6001 53.6636 41.6591 175.0398 53 E 4.7844 7.6446 115.6326 54.8725 32.1881 175.0625 54 R 4.4480 8.4301 118.8302 56.7769 31.9574 175.9894 55 F 5.2135 8.5167 124.3358 58.2555 40.0533 176.2325 56 I 3.6994 8.7433 117.4907 62.9992 36.9776 175.0332 57 G 3.7548 7.9568 108.4904 42.0781 0.0000 170.3296 58 P 4.7277 0.0000 0.0000 61.3832 31.8524 176.1276 59 A 4.4323 8.5206 122.4073 52.7538 18.9357 177.6225 60 L 4.6540 8.3744 119.4124 54.4666 43.5988 178.7931 61 R 3.7360 8.1897 119.3634 59.0546 30.0998 176.7602 62 D 4.8925 7.8613 115.5742 53.9080 41.4268 178.5703 63 V 3.6336 7.8686 123.3188 64.9272 31.3615 178.1305 64 T 4.0921 7.7956 108.4142 62.9623 68.9434 175.0453 65 K 4.2590 8.0055 121.4960 57.2093 32.6281 177.3857 66 R 4.5288 7.8157 112.3940 55.5998 30.9688 175.7589 67 R 4.5363 7.9197 116.9723 53.5511 33.9272 175.9006 68 G 3.9405 8.2489 106.8997 43.6451 0.0000 173.2203 69 P 4.3536 0.0000 0.0000 65.6150 31.3362 179.0654 70 V 3.5588 8.4266 118.3777 65.7912 31.4795 177.1171 71 Y 4.0414 8.4429 119.3757 61.0407 38.5712 178.4638 72 I 3.6885 7.8867 120.3468 64.5868 37.2122 178.3157 73 M 4.0274 8.2466 119.6813 58.6241 31.7478 178.5806 74 N 4.3806 8.2689 116.2540 55.6324 38.4749 177.7616 75 V 3.3707 7.3038 119.3702 66.1338 31.6241 177.6685 76 M 4.1373 7.5024 116.7466 58.3483 31.9098 178.3076 77 L 4.2618 7.7801 117.3905 56.0809 43.3263 176.9359 78 N 5.0259 8.3722 117.7605 50.7252 39.2896 173.5423 79 P 4.2500 0.0000 0.0000 66.1580 31.8071 177.8721 80 N 4.4299 8.1426 115.9289 56.1066 38.5531 177.4760 81 G 3.6215 8.1095 106.9084 47.9860 0.0000 175.7574 82 M 4.1331 8.2009 121.0537 58.2962 31.7207 178.9488 83 I 3.7613 7.9754 119.5573 64.4033 37.3087 178.2184 84 Q 4.2013 8.1373 118.2659 57.9308 28.6912 177.0956 85 R 4.5187 8.0622 115.4957 55.5352 32.4824 174.6897 86 H 4.8065 8.4240 119.6120 53.3264 31.3794 173.2383 87 P 4.3368 0.0000 0.0000 65.9615 30.9489 178.7759 88 V 3.6717 8.0220 117.6814 66.2216 31.5778 177.8060 89 M 4.2051 8.2614 118.0723 58.1534 31.9729 178.4682 90 K 3.9619 8.3033 119.9213 59.5187 32.3859 178.5843 91 Q 4.0148 8.2287 119.8131 59.3371 28.8987 178.3413 92 L 4.2179 8.1161 119.9990 57.7927 41.5339 179.6634 93 V 3.6620 8.1303 118.4190 65.9961 31.2334 177.8033 94 Q 3.9581 7.8390 118.1097 59.2158 28.9472 177.7110 95 E 3.9600 8.2185 119.3416 59.0439 29.6179 177.5644 96 Y 4.2456 8.6838 116.1557 57.4511 38.4555 177.2380 97 G 4.2164 8.5364 113.5823 45.7987 0.0000 174.3139 98 T 4.2558 7.4794 108.5508 60.8336 69.8543 173.2746 99 M 4.7409 8.0674 120.9474 53.3680 34.6998 175.7083 100 M 4.2184 8.4744 122.3776 55.5801 33.0725 175.3295 101 T 4.7113 7.9900 114.3317 59.0410 72.3097 172.8546 102 D 4.3492 8.6486 121.0621 55.4251 41.3245 175.8576 103 M 4.5628 8.5846 123.4189 54.2766 33.0123 175.2436 104 A 3.7563 8.8379 120.7906 53.0681 16.7335 178.1013 105 L 4.3364 7.8057 119.0619 55.5132 43.0296 177.9928 106 S 4.6013 8.9658 117.9171 57.1055 65.8533 175.0382 107 E 3.8685 8.6025 123.2420 59.7370 29.3133 178.8373 108 E 3.9388 8.1184 118.6001 59.2340 29.7418 178.6177 109 Q 3.9209 8.0013 117.4500 58.9615 28.7817 178.4853 110 A 3.9582 8.0012 121.7325 55.1213 18.3668 179.6856 111 R 3.8122 8.4672 117.4934 59.2733 30.1148 178.6653 112 A 3.9930 8.0626 120.7815 55.2535 18.3397 179.6117 113 I 3.8042 7.8481 118.3558 64.5221 37.1301 178.3976 114 L 3.9563 8.3265 121.5075 58.0450 41.8735 178.6311 115 E 3.9131 8.2572 119.3688 59.3766 29.5101 178.1079 116 Y 4.1524 8.1786 119.5152 60.8546 38.8500 178.1479 117 L 3.6155 8.1894 120.0228 57.7119 41.4691 179.7319 118 R 3.8753 8.1252 118.1601 59.1348 29.9580 178.9322 119 Q 3.8967 7.8880 119.3320 59.3508 28.7860 178.7448 120 V 3.4882 7.5992 113.1743 63.9701 31.1879 178.4339 121 A 4.0129 7.4428 119.6917 55.0150 18.2052 179.1756 122 E 4.0583 7.5746 116.5363 59.4197 29.6181 178.8325 123 N 4.3320 7.8810 115.9810 54.3435 38.6387 175.1256 124 Q 3.7871 7.5688 122.6464 56.4040 29.5903 173.2432 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 D 8.21 4.61 0.00 2.69 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 10 P 0.00 4.19 0.00 2.34 2.30 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 11 E 8.67 4.03 0.00 2.11 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 0.00 2.39 2.46 0.00 12 A 8.18 4.02 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 13 L 8.12 3.90 0.00 1.77 1.85 0.93 0.63 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 14 A 8.26 4.09 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.99 4.16 1.43 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 16 E 8.11 4.09 0.00 2.15 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 2.36 2.52 0.00 17 I 7.85 3.89 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.92 0.00 0.00 18 G 8.06 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.35 0.00 2.18 2.18 0.00 3.87 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 20 V 8.26 3.87 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 0.81 0.00 0.00 0.94 0.00 0.00 21 K 8.55 4.50 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 22 Q 7.57 4.66 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 23 V 8.03 4.49 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 0.74 0.00 0.00 0.94 0.00 0.00 24 S 8.57 4.71 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 25 L 8.39 4.76 0.00 1.61 1.52 0.92 0.96 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 26 G 8.18 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 27 E 8.70 4.08 0.00 1.92 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 2.29 2.35 0.00 28 Q 7.15 4.70 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 29 I 8.19 3.77 1.87 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 1.29 0.52 0.99 0.00 0.00 30 D 9.55 4.57 0.00 2.66 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 31 A 8.52 3.99 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 32 A 8.03 3.97 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 33 L 8.20 3.94 0.00 1.82 1.86 0.93 0.83 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 34 A 8.30 4.06 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 35 Q 8.29 3.87 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 36 Q 8.19 4.05 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 37 G 8.35 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 0.00 0.00 0.00 38 E 8.03 2.54 0.00 1.68 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 2.08 1.82 0.00 39 Q 7.76 3.96 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 40 L 8.13 4.21 0.00 1.89 1.79 0.96 0.97 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 41 F 8.52 4.08 0.00 3.21 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 42 N 8.13 4.32 0.00 2.79 3.00 0.00 0.00 7.31 7.15 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 43 T 7.74 3.93 4.45 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 0.83 0.00 0.00 44 Y 8.16 4.43 0.00 2.90 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 45 C 8.09 4.59 0.00 1.28 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 0.00 0.00 0.00 0.00 46 T 7.83 4.14 4.37 0.00 0.00 0.00 0.00 0.00 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 47 A 8.01 4.22 1.28 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 0.00 0.00 0.00 48 C 8.43 4.99 0.00 2.90 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 49 H 8.10 5.30 0.00 3.27 3.30 0.00 5.57 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.34 4.70 0.00 2.08 1.80 0.00 3.13 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.34 0.00 51 L 8.48 4.09 0.00 1.70 1.66 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.95 5.09 0.00 2.64 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 53 E 7.64 4.78 0.00 2.10 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 2.22 2.41 0.00 54 R 8.43 4.45 0.00 1.97 2.16 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 55 F 8.52 5.21 0.00 2.86 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 0.00 0.00 0.00 0.00 56 I 8.74 3.70 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.14 0.83 0.00 0.00 57 G 7.96 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 58 P 0.00 4.73 0.00 2.20 2.04 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 59 A 8.52 4.43 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.65 0.00 1.81 1.70 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.19 3.74 0.00 1.80 1.94 0.00 3.19 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 62 D 7.86 4.89 0.00 2.72 2.61 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 0.00 0.00 0.00 0.00 63 V 7.87 3.63 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 0.81 0.00 0.00 1.00 0.00 0.00 64 T 7.80 4.09 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 K 8.01 4.26 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.40 1.33 7.81 66 R 7.82 4.53 0.00 1.84 1.99 0.00 2.98 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 67 R 7.92 4.54 0.00 1.89 1.70 0.00 2.39 0.00 0.00 2.93 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 68 G 8.25 3.94 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 69 P 0.00 4.35 0.00 2.29 2.33 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 70 V 8.43 3.56 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 1.06 0.00 0.00 1.04 0.00 0.00 71 Y 8.44 4.04 0.00 3.16 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 72 I 7.89 3.69 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.31 0.94 0.00 0.00 73 M 8.25 4.03 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 74 N 8.27 4.38 0.00 2.73 2.86 0.00 0.00 6.68 7.29 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 75 V 7.30 3.37 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 0.71 0.00 0.00 0.17 0.00 0.00 76 M 7.50 4.14 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 77 L 7.78 4.26 0.00 1.58 1.68 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.37 5.03 0.00 2.69 2.73 0.00 0.00 6.81 8.31 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 79 P 0.00 4.25 0.00 2.44 2.39 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 80 N 8.14 4.43 0.00 2.78 2.90 0.00 0.00 7.04 7.58 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 81 G 8.11 3.62 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 0.00 0.00 0.00 82 M 8.20 4.13 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 83 I 7.98 3.76 1.93 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 1.54 0.55 0.93 0.00 0.00 84 Q 8.14 4.20 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 85 R 8.06 4.52 0.00 1.96 1.94 0.00 3.13 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 86 H 8.42 4.81 0.00 3.20 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.34 0.00 2.32 2.30 0.00 3.44 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 88 V 8.02 3.67 2.23 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 1.07 0.00 0.00 0.95 0.00 0.00 89 M 8.26 4.21 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 90 K 8.30 3.96 0.00 2.00 1.85 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 91 Q 8.23 4.01 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 92 L 8.12 4.22 0.00 2.01 1.84 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.13 3.66 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 1.12 0.00 0.00 1.00 0.00 0.00 94 Q 7.84 3.96 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 95 E 8.22 3.96 0.00 2.15 2.18 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 1.57 2.10 0.00 96 Y 8.68 4.25 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 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 0.00 0.00 0.00 0.00 98 T 7.48 4.26 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 99 M 8.07 4.74 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 100 M 8.47 4.22 0.00 1.96 1.95 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 2.58 2.51 0.00 101 T 7.99 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 0.00 102 D 8.65 4.35 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.58 4.56 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.60 0.00 104 A 8.84 3.76 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 L 7.81 4.34 0.00 1.52 1.42 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.97 4.60 0.00 3.99 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 0.00 107 E 8.60 3.87 0.00 2.00 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 0.00 2.36 2.31 0.00 108 E 8.12 3.94 0.00 2.03 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 2.37 2.34 0.00 109 Q 8.00 3.92 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 110 A 8.00 3.96 1.30 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 0.00 0.00 0.00 111 R 8.47 3.81 0.00 2.08 2.08 0.00 3.15 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 112 A 8.06 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.80 2.04 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 1.52 0.82 1.15 0.00 0.00 114 L 8.33 3.96 0.00 1.75 1.88 0.94 1.03 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 E 8.26 3.91 0.00 2.28 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 0.00 2.33 2.38 0.00 116 Y 8.18 4.15 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 0.00 117 L 8.19 3.62 0.00 1.83 1.61 0.99 1.07 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 0.00 118 R 8.13 3.88 0.00 1.99 1.94 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 119 Q 7.89 3.90 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 120 V 7.60 3.49 1.78 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 0.56 0.00 0.00 121 A 7.44 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 0.00 122 E 7.57 4.06 0.00 2.05 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 2.50 2.46 0.00 123 N 7.88 4.33 0.00 2.81 2.84 0.00 0.00 7.08 7.75 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 0.00 124 Q 7.57 3.79 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00