NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4445 8.3049 118.1969 55.1804 32.3675 177.6312 2 D 4.8706 8.5639 116.7220 50.6640 44.0264 173.0707 3 Y 4.0553 9.3629 122.5576 58.4497 39.9575 174.9135 4 C 4.3139 7.4730 124.1201 57.7032 29.0894 173.5257 5 N 4.4926 8.4559 122.6905 53.3363 38.8004 174.6494 6 K 4.6815 8.3919 119.9318 54.5292 35.7782 175.5786 7 K 4.6716 8.1573 119.5678 54.1500 35.1803 175.7063 8 H 4.1594 8.7121 120.1016 56.7483 30.1008 175.2511 9 T 3.9513 8.1814 123.2656 63.1068 68.9931 174.2172 10 A 4.1602 8.2908 128.4878 52.1288 19.1243 177.3206 11 E 4.3869 8.4758 120.7408 56.0267 30.5849 176.1304 12 E 4.8559 8.3789 119.0211 54.8152 33.4061 174.8425 13 Y 4.7514 8.4197 121.1549 55.8502 41.6246 174.7839 14 V 3.8735 7.5466 125.5688 60.4517 33.5957 174.5652 15 K 3.7627 7.9951 129.0243 56.0304 32.6588 176.2426 16 I 4.0891 8.1274 127.1819 60.2060 37.3447 175.0757 17 S 4.9216 8.0258 121.5856 56.3497 65.3025 175.4740 18 D 4.7251 8.7659 123.0787 57.7616 40.7817 178.7279 19 N 4.4357 8.2662 114.9640 55.6667 38.5922 175.1770 20 N 4.7850 7.8626 113.5390 53.1701 39.1221 174.5271 21 Y 4.5355 7.8157 117.7304 57.9857 38.6124 175.5123 22 V 4.7425 8.9135 116.3275 58.5314 36.1245 173.3249 23 P 4.9657 0.0000 0.0000 62.9772 31.7552 176.1572 24 F 4.6814 9.4050 127.7724 56.7208 40.6353 173.4188 25 P 4.1564 0.0000 0.0000 63.3980 31.0941 177.1173 26 E 4.0247 8.8206 121.7278 58.9212 29.7089 178.1984 27 A 3.8106 7.8474 120.9243 54.2608 18.6783 177.8377 28 F 4.9757 7.7170 112.9241 56.9130 40.4485 175.3873 29 S 5.0505 7.8602 112.6548 58.0499 65.8939 173.0874 30 D 4.6451 9.2107 119.0564 53.9535 44.4524 175.3612 31 G 4.1962 9.2416 111.0072 45.0386 0.0000 173.9275 32 G 3.9225 7.9879 108.2330 44.5631 0.0000 174.2360 33 I 4.2100 7.3650 120.8991 61.5312 38.9285 177.1059 34 T 5.5777 8.9029 116.4882 60.1347 72.4815 172.7795 35 W 5.8676 9.7641 119.3524 56.2848 32.5952 173.1224 36 Q 3.3921 8.0549 117.4231 54.0396 32.6671 174.0833 37 L 3.9384 5.6200 126.4391 54.4605 42.1219 175.9749 38 L 4.3167 8.5317 126.2849 56.4340 43.4812 176.3448 39 H 4.7355 7.6437 115.1422 55.2561 33.2450 172.5674 40 S 4.9177 8.2240 117.8511 56.7799 65.5060 173.6348 41 S 4.5129 9.1174 124.1600 55.7892 63.1104 173.0279 42 P 2.9700 0.0000 0.0000 64.5150 31.4614 178.1505 43 E 4.0616 7.8486 119.1103 59.1501 29.9006 177.5950 44 T 4.0410 7.7038 114.0630 64.6625 69.1019 175.6899 45 S 4.5105 9.1223 114.8868 58.1618 62.0434 168.1436 46 S 5.6102 7.8534 114.9857 57.6570 65.6719 172.6308 47 W 5.8649 9.0723 117.0989 55.8478 32.0854 173.5810 48 T 5.1540 9.5103 117.0192 62.0965 72.1904 173.0023 49 A 4.9034 8.8512 125.7948 50.7502 23.8553 174.5192 50 I 4.8341 8.0625 118.5384 59.2194 41.6170 174.2717 51 F 5.3839 9.0593 126.4424 55.7320 43.2203 173.5338 52 N 5.2450 9.2140 119.8673 51.7140 41.1821 173.3354 53 C 4.8804 8.7304 122.1512 56.9792 31.1273 172.5053 54 P 4.7008 0.0000 0.0000 61.7521 32.6680 175.7396 55 A 4.1355 8.2817 124.5421 53.6951 18.6630 178.3716 56 G 3.9634 8.9561 111.7455 45.0264 0.0000 173.7433 57 S 4.8709 7.4486 114.8078 58.2450 65.1572 173.0055 58 S 5.6552 8.6923 113.9208 58.8865 66.7474 173.2150 59 F 5.4597 8.7769 117.9332 55.4637 41.6995 175.6400 60 A 4.5737 9.3660 123.9457 51.8556 19.4442 177.7467 61 S 4.6452 9.0854 115.5615 58.9688 63.9929 173.4489 62 H 4.9051 8.6978 118.3510 54.7333 32.3077 172.1768 63 I 4.8471 8.3126 119.6199 59.7338 40.6065 174.7309 64 H 4.6919 8.8391 123.8247 55.0733 28.9600 176.2825 65 A 3.5689 8.8046 127.0153 54.3419 18.9749 176.7131 66 G 4.6164 8.0484 100.3138 42.6442 0.0000 170.5936 67 P 4.5001 0.0000 0.0000 62.8249 32.5552 175.7997 68 G 4.2907 8.6933 108.5047 44.5250 0.0000 171.0777 69 E 5.1373 8.7087 122.0520 54.2485 33.2344 174.5005 70 Y 5.4147 8.0368 122.1133 55.1383 41.7973 174.7013 71 F 5.5419 9.8463 124.0700 56.5566 42.0787 173.7670 72 L 4.8852 9.4458 130.4763 55.0745 42.0850 177.0273 73 T 4.0927 8.4542 117.5449 62.7687 69.9934 174.9846 74 K 4.3665 8.0569 122.4450 56.3689 35.6600 175.6322 75 G 4.1398 10.1925 111.8379 44.6923 0.0000 171.9914 76 K 4.9631 8.1378 120.4215 55.1723 36.8126 175.7911 77 M 4.3169 8.8178 122.8239 53.8023 35.9117 173.7114 78 E 4.8346 8.8317 126.7409 55.3094 30.8775 175.0801 79 V 4.2023 8.6972 125.8472 61.3459 34.2078 175.9513 80 R 3.8381 9.5004 124.4377 57.3081 27.4887 177.9429 81 G 3.7866 8.2413 105.8115 44.2715 0.0000 175.1451 82 G 3.9934 7.7237 106.2598 44.5492 0.0000 174.0557 83 E 4.0828 9.0210 120.1284 59.2327 29.5291 179.1059 84 Q 4.1636 8.0923 114.8410 58.1448 28.7616 176.2077 85 E 4.5850 8.1482 118.5147 56.0402 30.3179 177.1418 86 G 4.0419 8.2337 108.4509 45.3937 0.0000 175.9061 87 G 4.2341 7.3730 111.7379 44.8696 0.0000 173.5736 88 S 4.8019 9.0544 118.7667 56.9435 67.5751 173.4827 89 T 5.0425 8.5746 118.6974 61.7758 70.7405 173.4808 90 A 4.5930 9.1511 129.9527 51.6446 20.2168 175.4448 91 Y 4.9915 8.1332 118.7075 55.7380 40.4089 175.8618 92 A 4.5474 8.6822 127.0533 51.5389 19.2077 174.9745 93 P 5.4112 0.0000 0.0000 61.5348 33.2665 175.0455 94 S 4.8666 8.7206 115.5724 58.0042 66.5075 171.9006 95 Y 5.3200 8.6290 120.4144 56.0636 42.1202 174.4035 96 G 3.0844 6.4195 108.8690 44.1439 0.0000 171.5905 97 F 4.9944 8.3391 124.7222 56.1770 41.6254 174.2261 98 E 4.4643 8.3454 127.4954 54.3337 31.3732 176.4131 99 S 4.2957 8.1108 119.7201 56.9919 65.2615 173.5963 100 S 4.3234 8.4108 115.1444 60.1711 62.1850 174.1750 101 G 3.9496 9.6203 117.3065 44.8172 0.0000 173.5113 102 A 3.9014 7.9737 122.6224 52.5090 19.3505 176.1851 103 L 4.6543 8.4565 125.0900 54.1771 43.5198 175.9181 104 H 4.7045 8.8886 125.6419 53.7028 28.7064 175.4278 105 G 3.6409 8.5199 112.4491 48.0141 0.0000 171.6913 106 K 5.2109 7.3938 118.2167 55.1542 33.4974 173.9369 107 T 3.9842 8.0863 117.8351 63.9920 69.9007 173.2235 108 F 5.1503 8.6259 128.0062 56.3391 42.9744 174.0789 109 F 4.6914 7.8286 124.3278 54.8999 39.5887 174.5127 110 P 4.4606 0.0000 0.0000 64.4931 31.5635 177.0870 111 V 4.5538 7.1280 115.3487 59.1135 34.8903 175.0322 112 E 4.1330 8.8397 122.5891 57.3245 29.9457 175.9419 113 S 4.9712 9.2790 122.0936 57.0855 68.2292 172.4685 114 Q 5.6555 9.3794 120.8270 55.1725 32.6110 173.2067 115 F 5.4973 8.6586 119.5053 55.8371 41.7309 172.0772 116 Y 5.1838 9.1593 122.6036 56.5502 41.1067 173.9789 117 M 5.2341 8.4938 124.8098 54.3696 36.5171 173.1731 118 T 4.6832 8.1147 114.9517 59.7870 71.8496 173.0475 119 F 4.9436 8.9203 122.3785 55.4546 43.1107 173.6106 120 L 4.7617 8.8292 124.6683 55.0426 43.9678 177.0080 121 G 4.2602 9.0988 114.6500 44.0519 0.0000 170.0110 122 P 5.0999 0.0000 0.0000 62.0973 33.8992 174.7983 123 L 4.7570 8.6970 120.3978 53.1211 43.4393 175.8031 124 N 5.1460 8.9137 123.3428 52.0187 39.7947 174.5624 125 F 4.8724 9.3675 124.7086 56.9343 40.3296 175.2102 126 I 5.2391 8.4221 116.6560 59.2594 40.6669 175.1802 127 D 4.8094 8.5970 123.4613 52.1312 41.3368 176.6557 128 D 4.5411 8.5964 117.4528 56.1974 40.6986 176.5461 129 N 4.7537 9.0118 117.5094 52.9895 39.0199 175.4196 130 G 3.9994 8.2198 104.8246 45.2027 0.0000 174.5141 131 K 4.0296 7.8302 120.2002 55.8868 32.6668 176.4352 132 V 4.2521 8.3098 123.7853 62.8017 30.8529 175.3920 133 I 4.2485 8.5274 122.0066 62.6611 38.6820 176.2160 134 A 4.4845 7.9083 123.2544 51.0750 22.6065 175.0639 135 S 4.8706 8.7603 118.1808 56.1733 63.3210 173.6485 136 I 3.9120 8.8949 130.4132 60.1602 37.8034 175.3459 137 G 4.1274 8.5486 119.8589 43.0722 0.0000 172.0546 138 W 3.5043 8.4451 115.2361 59.4837 27.6960 177.9249 139 A 2.8943 5.8000 120.6823 54.5298 17.7599 179.3792 140 E 3.7010 7.4247 116.3283 59.2033 29.5398 179.3391 141 A 3.8816 7.6492 121.2089 55.0741 18.2973 179.4939 142 Q 4.2186 8.3507 118.5311 59.1872 29.1327 178.6245 143 G 3.5606 8.1248 106.6826 47.8309 0.0000 175.5971 144 A 4.0851 8.0603 123.4142 54.3394 18.3577 179.5917 145 W 4.2574 8.6253 126.9538 60.9342 30.6699 178.4153 146 L 3.7691 8.0666 117.3139 57.3139 41.0429 179.1339 147 A 4.0720 7.6950 120.3257 55.3711 18.4130 179.5298 148 T 3.9721 7.5880 113.2067 66.1697 68.7396 174.8680 149 K 3.7464 7.8041 125.6461 56.3137 32.0329 176.0564 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 4.44 0.00 2.15 1.34 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 D 8.56 4.87 0.00 2.76 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 3 Y 9.36 4.06 0.00 2.92 2.92 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 4 C 7.47 4.31 0.00 2.69 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 5 N 8.46 4.49 0.00 2.70 2.79 0.00 0.00 6.95 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 6 K 8.39 4.68 0.00 1.72 1.66 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.33 7.81 7 K 8.16 4.67 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 8 H 8.71 4.16 0.00 3.10 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.18 3.95 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 1.18 0.00 0.00 10 A 8.29 4.16 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 11 E 8.48 4.39 0.00 1.99 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 2.35 2.42 0.00 12 E 8.38 4.86 0.00 1.93 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 2.23 2.29 0.00 13 Y 8.42 4.75 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 14 V 7.55 3.87 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 0.69 0.00 0.00 0.88 0.00 0.00 15 K 8.00 3.76 0.00 1.63 1.59 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.50 7.81 16 I 8.13 4.09 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 1.29 0.61 0.86 0.00 0.00 17 S 8.03 4.92 0.00 3.87 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 18 D 8.77 4.73 0.00 2.77 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 19 N 8.27 4.44 0.00 2.74 2.91 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 20 N 7.86 4.79 0.00 2.79 2.96 0.00 0.00 7.02 7.17 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 21 Y 7.82 4.54 0.00 2.83 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 22 V 8.91 4.74 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 0.59 0.00 0.00 1.16 0.00 0.00 23 P 0.00 4.97 0.00 2.05 2.10 0.00 3.77 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 2.10 2.18 0.00 24 F 9.41 4.68 0.00 3.16 3.08 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 25 P 0.00 4.16 0.00 2.27 2.09 0.00 2.20 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.40 0.00 26 E 8.82 4.02 0.00 1.94 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 2.34 2.32 0.00 27 A 7.85 3.81 0.55 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 0.00 0.00 28 F 7.72 4.98 0.00 2.89 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 29 S 7.86 5.05 0.00 3.87 4.07 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 0.00 0.00 0.00 30 D 9.21 4.65 0.00 2.73 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 0.00 0.00 0.00 0.00 31 G 9.24 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 0.00 0.00 0.00 0.00 32 G 7.99 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 33 I 7.37 4.21 1.80 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.82 0.00 0.00 34 T 8.90 5.58 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 1.33 0.00 0.00 35 W 9.76 5.87 0.00 3.02 3.26 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 36 Q 8.05 3.39 0.00 1.30 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.02 0.00 0.00 0.00 0.00 0.00 2.10 1.26 0.00 37 L 5.62 3.94 0.00 0.46 0.13 1.18 0.99 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 38 L 8.53 4.32 0.00 1.59 1.64 1.01 0.78 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 39 H 7.64 4.74 0.00 3.16 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.22 4.92 0.00 4.02 3.66 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 41 S 9.12 4.51 0.00 3.92 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 42 P 0.00 2.97 0.00 1.68 0.71 0.00 3.43 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 43 E 7.85 4.06 0.00 1.87 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 0.00 2.27 2.30 0.00 44 T 7.70 4.04 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 1.26 0.00 0.00 45 S 9.12 4.51 0.00 4.38 4.55 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 46 S 7.85 5.61 0.00 4.10 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 47 W 9.07 5.86 0.00 3.73 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 48 T 9.51 5.15 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 0.96 0.00 0.00 49 A 8.85 4.90 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 50 I 8.06 4.83 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.72 0.00 0.00 51 F 9.06 5.38 0.00 2.29 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 52 N 9.21 5.25 0.00 2.38 2.49 0.00 0.00 6.70 7.56 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 53 C 8.73 4.88 0.00 1.99 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 0.00 0.00 0.00 0.00 54 P 0.00 4.70 0.00 2.01 1.93 0.00 3.47 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 2.08 2.03 0.00 55 A 8.28 4.14 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 56 G 8.96 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 0.00 0.00 0.00 57 S 7.45 4.87 0.00 3.92 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 58 S 8.69 5.66 0.00 4.18 4.35 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 59 F 8.78 5.46 0.00 3.22 3.21 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 60 A 9.37 4.57 1.55 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 0.00 0.00 61 S 9.09 4.65 0.00 3.90 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 62 H 8.70 4.91 0.00 2.49 2.08 0.00 5.20 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.31 4.85 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.92 0.00 0.00 64 H 8.84 4.69 0.00 3.00 3.42 0.00 5.62 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 65 A 8.80 3.57 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 66 G 8.05 4.62 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 67 P 0.00 4.50 0.00 2.17 2.23 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 68 G 8.69 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 0.00 0.00 0.00 0.00 69 E 8.71 5.14 0.00 1.97 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 2.51 2.35 0.00 70 Y 8.04 5.41 0.00 3.19 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 71 F 9.85 5.54 0.00 3.23 3.20 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 0.00 72 L 9.45 4.89 0.00 2.09 1.82 1.18 0.53 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 73 T 8.45 4.09 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 0.40 0.00 0.00 74 K 8.06 4.37 0.00 1.80 1.62 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.44 7.81 75 G 10.19 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 76 K 8.14 4.96 0.00 1.42 1.27 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.48 1.10 7.81 77 M 8.82 4.32 0.00 1.70 1.62 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.89 0.00 78 E 8.83 4.83 0.00 2.04 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 2.27 2.22 0.00 79 V 8.70 4.20 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 0.83 0.00 0.00 0.57 0.00 0.00 80 R 9.50 3.84 0.00 2.03 1.96 0.00 3.16 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 81 G 8.24 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 82 G 7.72 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 83 E 9.02 4.08 0.00 2.02 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 0.00 2.32 2.28 0.00 84 Q 8.09 4.16 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.28 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 85 E 8.15 4.58 0.00 2.14 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 2.20 2.18 0.00 86 G 8.23 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 0.00 0.00 0.00 87 G 7.37 4.23 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 0.00 88 S 9.05 4.80 0.00 3.75 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 89 T 8.57 5.04 4.42 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 1.32 0.00 0.00 90 A 9.15 4.59 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 91 Y 8.13 4.99 0.00 2.83 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 92 A 8.68 4.55 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 93 P 0.00 5.41 0.00 2.41 2.24 0.00 3.51 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 94 S 8.72 4.87 0.00 4.06 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 95 Y 8.63 5.32 0.00 2.86 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 96 G 6.42 3.08 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 97 F 8.34 4.99 0.00 2.96 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 98 E 8.35 4.46 0.00 1.62 1.62 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 2.24 2.37 0.00 99 S 8.11 4.30 0.00 3.90 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 0.00 100 S 8.41 4.32 0.00 3.86 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 0.00 101 G 9.62 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 0.00 102 A 7.97 3.90 1.11 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 0.00 0.00 103 L 8.46 4.65 0.00 1.60 1.55 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.89 4.70 0.00 2.65 3.03 0.00 5.70 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 0.00 105 G 8.52 3.64 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 0.00 0.00 0.00 106 K 7.39 5.21 0.00 1.72 1.69 0.00 1.63 0.00 0.00 2.31 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 107 T 8.09 3.98 4.40 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 0.82 0.00 0.00 108 F 8.63 5.15 0.00 3.17 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 0.00 109 F 7.83 4.69 0.00 2.78 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 0.00 110 P 0.00 4.46 0.00 2.00 2.21 0.00 3.60 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 2.04 2.32 0.00 111 V 7.13 4.55 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 0.68 0.00 0.00 0.90 0.00 0.00 112 E 8.84 4.13 0.00 1.96 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 2.23 2.45 0.00 113 S 9.28 4.97 0.00 3.74 4.01 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 0.00 114 Q 9.38 5.66 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 115 F 8.66 5.50 0.00 3.30 3.16 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 0.00 0.00 0.00 0.00 116 Y 9.16 5.18 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 0.00 117 M 8.49 5.23 0.00 2.00 2.08 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 2.19 0.91 0.00 118 T 8.11 4.68 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 1.13 0.00 0.00 119 F 8.92 4.94 0.00 1.66 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 0.00 120 L 8.83 4.76 0.00 1.85 1.70 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.10 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 0.00 122 P 0.00 5.10 0.00 2.14 2.21 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 123 L 8.70 4.76 0.00 1.48 1.11 0.54 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.91 5.15 0.00 2.58 2.77 0.00 0.00 6.59 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 0.00 125 F 9.37 4.87 0.00 3.28 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 0.00 126 I 8.42 5.24 1.91 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 1.32 0.72 0.98 0.00 0.00 127 D 8.60 4.81 0.00 2.94 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 0.00 128 D 8.60 4.54 0.00 2.70 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 0.00 129 N 9.01 4.75 0.00 2.58 2.86 0.00 0.00 7.22 8.01 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 0.00 130 G 8.22 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 0.00 131 K 7.83 4.03 0.00 2.11 1.76 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.38 7.81 132 V 8.31 4.25 2.11 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 0.86 0.00 0.00 0.95 0.00 0.00 133 I 8.53 4.25 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.91 0.99 0.00 0.00 134 A 7.91 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.76 4.87 0.00 3.88 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 0.00 136 I 8.89 3.91 1.91 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.35 0.52 0.00 0.00 137 G 8.55 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 0.00 0.00 0.00 138 W 8.45 3.50 0.00 3.60 3.40 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 0.00 139 A 5.80 2.89 0.14 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 0.00 140 E 7.42 3.70 0.00 1.71 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 2.30 2.23 0.00 141 A 7.65 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.35 4.22 0.00 2.34 2.36 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 2.47 2.56 0.00 143 G 8.12 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 0.00 0.00 0.00 144 A 8.06 4.09 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 0.00 145 W 8.63 4.26 0.00 3.21 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 0.00 146 L 8.07 3.77 0.00 1.63 1.64 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.69 4.07 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 0.00 148 T 7.59 3.97 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 1.25 0.00 0.00 149 K 7.80 3.75 0.00 0.79 0.74 0.00 1.35 0.00 0.00 0.96 0.00 0.00 3.02 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.31 0.90 7.81