NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 3.9461 8.4449 121.3396 55.8190 30.5531 174.8545 4 F 4.8414 7.9011 122.9012 53.3944 43.1802 172.6520 5 P 4.2964 0.0000 0.0000 63.9203 32.9695 175.0559 6 F 5.3732 7.8399 118.8706 55.7777 41.9875 174.6450 7 A 4.6248 9.1708 125.0672 51.1077 20.2804 176.1432 8 L 5.1265 8.6171 123.8432 53.3840 44.8961 175.0334 9 E 4.8658 9.4108 127.1618 54.3497 33.3152 174.4665 10 V 4.9991 8.3899 124.4083 61.1930 34.5245 174.3196 11 Q 4.8068 9.4046 125.1381 54.6828 32.4209 173.6846 12 T 5.0643 8.3456 109.4923 59.9876 72.0565 173.0047 13 L 4.9200 8.7031 125.0173 52.4611 43.5640 174.8716 14 P 4.8072 0.0000 0.0000 61.8953 32.5185 176.4688 15 Q 4.2012 8.6788 116.9725 57.5124 28.8732 176.0278 16 T 4.6349 7.2862 105.6042 59.6267 72.5404 175.2004 17 C 4.5744 8.2906 121.5767 56.4366 41.3343 173.0216 18 D 4.7102 7.9382 117.0084 52.1193 39.6882 176.9253 19 G 4.4102 7.6260 109.0870 43.4053 0.0000 172.5480 20 P 4.1455 0.0000 0.0000 65.8509 31.3363 178.9938 21 K 4.1238 8.1521 115.9071 58.8643 31.8233 178.9137 22 A 4.2366 8.1341 120.6422 54.9028 18.3653 178.9652 23 H 4.4433 8.1923 114.6736 58.1535 29.0562 176.0550 24 T 4.8256 7.9487 108.9604 61.5153 70.8978 174.0068 25 S 5.3458 8.1491 114.9039 57.9322 65.9372 173.2139 26 F 4.9504 8.3175 114.4853 56.6210 41.5223 172.4886 27 Q 4.9140 9.2018 118.6286 54.3693 31.4847 174.8553 28 I 4.4011 7.9675 123.4924 59.4832 39.7174 174.5648 29 S 5.0635 9.3042 122.2751 56.3373 64.9150 172.4982 30 L 5.2898 8.8876 127.6184 54.0294 43.6845 175.5853 31 S 5.3695 9.5056 117.2227 56.8664 66.7913 173.5030 32 V 5.6865 9.1900 122.9131 59.5300 34.9077 174.2940 33 S 5.1488 8.6571 116.5318 57.0872 66.8687 171.6842 34 Y 4.9248 9.2001 123.2775 56.1323 39.9674 175.5945 35 I 4.1803 7.9966 122.0659 60.7175 38.4125 175.6405 36 G 3.5887 5.9971 112.1103 44.3941 0.0000 174.1100 37 S 4.1415 8.5222 114.4400 61.8188 62.7862 175.8925 38 R 4.1908 8.0096 117.6764 55.7702 30.5707 175.3086 39 P 4.4098 0.0000 0.0000 65.5365 31.5864 176.0952 40 A 4.9528 7.4118 117.6264 49.5965 22.5211 175.7027 41 S 3.8045 7.9724 114.3682 57.7984 63.9798 175.4663 42 N 4.7222 8.4197 117.4344 53.1618 40.2841 173.4250 43 M 4.5624 9.1547 117.8845 56.5325 33.1580 176.2066 44 A 5.2080 8.8224 126.5112 50.1235 23.0169 174.6886 45 I 4.4606 8.0717 120.3941 59.2130 40.5450 174.7978 46 V 4.4097 8.2457 127.1063 61.2862 33.5105 173.8748 47 D 5.1992 9.1585 127.7414 52.5388 44.1039 174.3699 48 V 4.7119 8.7852 127.2726 61.0159 33.4514 174.4906 49 K 4.4523 8.6362 130.2167 56.1196 32.9871 176.3166 50 M 4.5784 8.1545 126.4882 54.6607 33.0219 176.7974 51 V 3.6792 8.5444 121.9979 62.5887 32.4809 175.5478 52 S 4.4195 8.5754 121.7205 60.5744 63.1319 175.0731 53 G 4.1152 9.1603 112.6987 46.1479 0.0000 172.5627 54 F 5.3123 7.9761 117.9195 55.9925 40.9748 175.3395 55 I 4.9540 8.7674 114.7074 58.3886 41.2093 172.8764 56 P 4.9248 0.0000 0.0000 62.6176 32.6752 176.8543 57 L 4.2745 9.1419 124.1878 53.9871 41.8550 177.3958 58 K 3.8283 8.5692 126.8743 59.2566 32.1379 177.1278 59 P 4.2717 0.0000 0.0000 65.6425 30.9842 178.3792 60 T 4.1291 8.0201 107.5678 63.7985 69.0859 176.9093 61 V 3.5520 7.5100 121.4103 65.9466 31.6912 177.9015 62 K 3.9393 8.1633 118.2311 59.6384 31.6126 179.0892 63 M 4.0713 7.8675 118.1752 58.1767 31.8824 178.3305 64 L 4.2440 7.9223 118.3708 56.3028 43.1098 177.9490 65 E 4.2226 7.8257 119.9425 53.5566 27.3041 175.8331 66 R 4.5937 6.9311 111.7864 57.3790 33.7472 175.7942 67 S 5.0959 7.8234 121.7869 59.1574 64.4884 178.4269 68 N 4.4539 8.2310 115.1582 54.0587 38.5327 174.6566 69 V 4.3930 7.4757 118.6083 62.1821 30.3674 175.2178 70 S 4.4922 8.5812 123.2360 60.1157 63.8437 174.3012 71 R 4.5679 7.3444 115.4777 56.0143 31.6048 173.2721 72 T 5.3351 8.8781 109.5768 60.2765 72.1788 173.0580 73 E 4.7763 9.5167 121.4941 54.8168 34.5290 174.4753 74 V 4.7281 8.2544 122.6443 61.3971 33.4468 175.0893 75 S 4.4604 9.5696 122.1702 58.7508 65.7060 173.9518 76 N 4.2481 9.7969 125.3976 54.5240 36.0245 173.3964 77 N 4.2699 8.2268 110.0128 55.0981 37.8320 172.2370 78 H 5.1234 8.2660 112.2235 53.5022 32.5163 173.2781 79 V 4.6016 8.7461 121.5234 61.4015 33.4379 174.4248 80 L 5.0377 9.0526 128.0363 52.8908 44.6619 175.3734 81 I 4.8012 8.5267 124.5665 59.6795 40.3315 174.1003 82 Y 4.7064 9.1665 126.2079 56.8231 39.4405 174.5795 83 L 5.0762 8.3920 124.8543 53.0750 43.6439 177.5593 84 D 4.5352 9.4008 124.5829 57.1447 41.7756 176.3561 85 K 4.9126 7.6420 113.9654 56.0669 35.8116 175.5406 86 V 4.6100 8.5009 120.1068 61.6568 35.0685 174.5055 87 T 5.1416 8.2377 117.8290 60.0500 71.8204 173.7509 88 N 4.9074 8.9716 116.6347 54.8178 37.7279 174.6354 89 E 4.4540 7.7921 119.2222 55.8111 30.7060 176.4575 90 T 4.3441 8.5229 120.8597 63.4866 69.3750 173.5022 91 L 4.6747 9.4396 129.5133 53.7640 44.2046 174.9461 92 T 5.1019 8.5182 122.3502 61.8412 70.9331 173.7066 93 L 4.8881 8.9987 125.3936 53.3026 45.4750 175.6760 94 T 5.1979 8.6705 119.7045 61.8363 72.1542 172.9958 95 F 5.0023 8.6147 119.6098 56.2315 42.4144 172.7620 96 T 4.9275 9.1504 115.4286 61.9831 71.0530 174.5936 97 V 4.9799 8.1663 117.3909 59.5468 35.9462 174.5619 98 L 5.2053 9.2715 122.0206 52.9032 45.6657 175.7706 99 Q 3.3066 9.1317 125.4893 56.0138 29.2419 175.8118 100 D 4.3620 8.8643 127.7737 56.6567 41.6300 176.2910 101 I 4.4896 7.2904 118.1815 58.4857 40.1101 173.1551 102 P 4.6427 0.0000 0.0000 61.6889 31.7908 175.8358 103 V 4.3952 8.0601 122.5707 60.5736 33.8033 174.9930 104 R 3.9545 8.4937 126.8538 57.2980 30.5283 174.6133 105 D 4.2844 8.5459 126.1356 54.6964 37.4043 171.6055 106 L 4.3229 8.0924 121.5213 53.6917 42.6691 176.9839 107 K 4.5474 8.1904 122.5173 53.7030 34.5057 174.2463 108 P 4.4802 0.0000 0.0000 62.8334 32.0948 175.7283 109 A 4.7280 8.5027 123.4326 50.1521 22.5824 175.4306 110 I 4.6635 8.1467 120.1097 60.3917 39.2500 174.9675 111 V 4.9499 9.2218 126.4383 61.1241 34.0962 174.4790 112 K 5.2877 9.2823 126.6485 54.5312 36.1282 175.4003 113 V 4.8604 8.4205 121.9474 60.1294 34.6629 174.0398 114 Y 5.3443 8.0789 120.6862 55.3120 41.7408 173.7056 115 D 4.9048 9.3816 121.7328 54.6592 41.4528 175.9611 116 Y 4.0611 9.2476 126.9217 60.1443 38.8257 176.0057 117 Y 4.5283 9.2237 115.6306 59.2072 40.1681 175.7912 118 E 4.4292 8.5632 121.8802 55.4258 28.8285 177.2533 119 T 4.1525 8.5053 115.1147 63.4537 69.1310 175.1129 120 D 4.7313 8.1980 120.4456 54.2253 40.2159 176.1235 121 E 4.5863 8.5057 121.4458 55.1534 29.1704 174.4509 122 F 5.7346 7.8605 116.9469 55.8321 41.1558 173.1170 123 A 3.2825 9.0977 120.3839 50.0284 22.8210 175.4604 124 V 4.9741 7.0365 110.7938 59.7960 35.7390 174.9742 125 A 4.8395 9.1144 123.8975 50.8725 22.9784 174.9820 126 E 5.3346 8.7830 118.4323 55.1342 32.6298 174.8382 127 Y 4.9740 8.5230 118.5225 56.1167 41.9135 173.7536 128 S 4.7664 8.3891 114.6477 56.0589 67.1273 174.1119 129 A 3.0286 8.1579 124.8790 51.2913 18.7038 177.1343 130 P 4.0203 0.0000 0.0000 65.1906 31.4800 178.0557 131 C 4.7981 7.7273 113.1882 56.3122 40.6366 173.7981 132 S 4.2829 7.9657 120.9562 58.8357 62.3111 174.0371 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 3 E 8.44 3.95 0.00 1.74 1.70 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 2.06 2.18 0.00 4 F 7.90 4.84 0.00 3.38 2.91 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 5 P 0.00 4.30 0.00 1.86 2.11 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 6 F 7.84 5.37 0.00 2.73 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 7 A 9.17 4.62 1.29 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 8 L 8.62 5.13 0.00 1.62 1.57 0.91 0.87 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 9 E 9.41 4.87 0.00 2.06 1.75 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 2.19 2.22 0.00 10 V 8.39 5.00 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 0.73 0.00 0.00 0.95 0.00 0.00 11 Q 9.40 4.81 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 12 T 8.35 5.06 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 1.21 0.00 0.00 13 L 8.70 4.92 0.00 1.59 1.63 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.81 0.00 2.30 2.16 0.00 3.83 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 2.04 2.13 0.00 15 Q 8.68 4.20 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 16 T 7.29 4.63 4.21 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 1.18 0.00 0.00 17 C 8.29 4.57 0.00 3.12 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 18 D 7.94 4.71 0.00 2.83 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 19 G 7.63 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 0.00 0.00 0.00 0.00 20 P 0.00 4.15 0.00 2.11 2.13 0.00 3.89 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 2.14 2.11 0.00 21 K 8.15 4.12 0.00 1.82 1.91 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.48 7.81 22 A 8.13 4.24 1.38 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 0.00 0.00 23 H 8.19 4.44 0.00 3.28 3.48 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.95 4.83 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 1.25 0.00 0.00 25 S 8.15 5.35 0.00 4.07 3.90 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 26 F 8.32 4.95 0.00 3.17 3.09 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 0.00 27 Q 9.20 4.91 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 28 I 7.97 4.40 0.65 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.39 0.33 0.00 0.00 29 S 9.30 5.06 0.00 3.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.89 5.29 0.00 1.83 1.65 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 S 9.51 5.37 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 32 V 9.19 5.69 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 0.64 0.00 0.00 1.03 0.00 0.00 33 S 8.66 5.15 0.00 4.14 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 34 Y 9.20 4.92 0.00 3.05 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 35 I 8.00 4.18 1.75 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 1.08 0.68 0.88 0.00 0.00 36 G 6.00 3.59 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 0.00 0.00 0.00 37 S 8.52 4.14 0.00 3.89 3.97 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 38 R 8.01 4.19 0.00 2.04 1.95 0.00 3.23 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 39 P 0.00 4.41 0.00 2.21 2.21 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 40 A 7.41 4.95 1.20 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 41 S 7.97 3.80 0.00 3.96 3.18 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 42 N 8.42 4.72 0.00 3.17 3.12 0.00 0.00 6.94 7.65 0.00 0.00 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 M 9.15 4.56 0.00 1.88 1.86 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 2.48 0.00 44 A 8.82 5.21 1.15 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 45 I 8.07 4.46 0.57 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 0.74 0.50 0.36 0.00 0.00 46 V 8.25 4.41 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 0.87 0.00 0.00 0.76 0.00 0.00 47 D 9.16 5.20 0.00 2.70 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 48 V 8.79 4.71 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 1.11 0.00 0.00 1.04 0.00 0.00 49 K 8.64 4.45 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.37 7.81 50 M 8.15 4.58 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.83 0.00 51 V 8.54 3.68 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 1.06 0.00 0.00 0.68 0.00 0.00 52 S 8.58 4.42 0.00 3.97 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 53 G 9.16 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 54 F 7.98 5.31 0.00 3.15 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 55 I 8.77 4.95 1.90 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 1.45 0.98 0.99 0.00 0.00 56 P 0.00 4.92 0.00 2.11 2.20 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 57 L 9.14 4.27 0.00 1.76 1.80 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.57 3.83 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 59 P 0.00 4.27 0.00 2.16 2.11 0.00 3.54 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 60 T 8.02 4.13 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 1.25 0.00 0.00 61 V 7.51 3.55 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 0.91 0.00 0.00 0.57 0.00 0.00 62 K 8.16 3.94 0.00 1.79 1.83 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.61 7.81 63 M 7.87 4.07 0.00 2.01 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.60 0.00 64 L 7.92 4.24 0.00 1.62 1.72 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.83 4.22 0.00 2.03 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 2.33 2.37 0.00 66 R 6.93 4.59 0.00 1.75 1.84 0.00 3.36 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 67 S 7.82 5.10 0.00 3.94 3.44 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 68 N 8.23 4.45 0.00 2.88 2.84 0.00 0.00 6.50 7.68 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 69 V 7.48 4.39 2.19 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 0.85 0.00 0.00 0.96 0.00 0.00 70 S 8.58 4.49 0.00 3.86 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 0.00 71 R 7.34 4.57 0.00 1.78 1.92 0.00 2.62 0.00 0.00 2.79 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 0.00 72 T 8.88 5.34 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 1.23 0.00 0.00 73 E 9.52 4.78 0.00 1.97 1.86 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 2.24 2.40 0.00 74 V 8.25 4.73 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 0.77 0.00 0.00 0.86 0.00 0.00 75 S 9.57 4.46 0.00 3.85 3.67 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 76 N 9.80 4.25 0.00 2.88 2.87 0.00 0.00 7.04 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 77 N 8.23 4.27 0.00 3.00 2.87 0.00 0.00 6.88 7.89 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 78 H 8.27 5.12 0.00 3.18 3.18 0.00 5.65 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 79 V 8.75 4.60 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 0.52 0.00 0.00 0.76 0.00 0.00 80 L 9.05 5.04 0.00 1.53 1.17 0.96 0.65 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 81 I 8.53 4.80 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.70 0.86 0.00 0.00 82 Y 9.17 4.71 0.00 2.95 2.83 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 83 L 8.39 5.08 0.00 1.58 1.55 0.87 0.72 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 84 D 9.40 4.54 0.00 2.55 2.71 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 85 K 7.64 4.91 0.00 1.82 1.73 0.00 1.13 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.29 7.81 86 V 8.50 4.61 2.34 0.00 0.00 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 1.04 0.00 0.00 87 T 8.24 5.14 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 1.25 0.00 0.00 88 N 8.97 4.91 0.00 2.87 3.02 0.00 0.00 6.41 7.66 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 89 E 7.79 4.45 0.00 1.94 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 2.34 2.45 0.00 90 T 8.52 4.34 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 1.24 0.00 0.00 91 L 9.44 4.67 0.00 1.75 1.54 0.94 0.85 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 92 T 8.52 5.10 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 1.21 0.00 0.00 93 L 9.00 4.89 0.00 1.59 1.59 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.67 5.20 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 1.18 0.00 0.00 95 F 8.61 5.00 0.00 2.99 3.05 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 96 T 9.15 4.93 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 1.24 0.00 0.00 97 V 8.17 4.98 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 0.83 0.00 0.00 -0.17 0.00 0.00 98 L 9.27 5.21 0.00 1.50 1.50 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.13 3.31 0.00 1.25 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.02 1.54 0.00 100 D 8.86 4.36 0.00 2.64 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 0.00 101 I 7.29 4.49 1.83 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 1.37 1.29 0.89 0.00 0.00 102 P 0.00 4.64 0.00 2.03 1.97 0.00 3.64 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 103 V 8.06 4.40 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 0.82 0.00 0.00 0.94 0.00 0.00 104 R 8.49 3.95 0.00 1.82 1.82 0.00 3.45 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 105 D 8.55 4.28 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.32 0.00 1.64 1.61 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.19 4.55 0.00 1.69 1.68 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.42 7.81 108 P 0.00 4.48 0.00 1.85 1.88 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 109 A 8.50 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.15 4.66 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.15 0.94 0.00 0.00 111 V 9.22 4.95 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 1.13 0.00 0.00 1.07 0.00 0.00 112 K 9.28 5.29 0.00 1.78 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.37 7.81 113 V 8.42 4.86 1.80 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 0.38 0.00 0.00 0.10 0.00 0.00 114 Y 8.08 5.34 0.00 3.05 3.07 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 0.00 115 D 9.38 4.90 0.00 3.01 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 0.00 116 Y 9.25 4.06 0.00 2.88 2.52 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 0.00 117 Y 9.22 4.53 0.00 3.18 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 0.00 118 E 8.56 4.43 0.00 2.16 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 0.00 2.67 2.34 0.00 119 T 8.51 4.15 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 1.23 0.00 0.00 120 D 8.20 4.73 0.00 2.89 2.93 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 0.00 0.00 0.00 121 E 8.51 4.59 0.00 2.41 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 2.34 2.35 0.00 122 F 7.86 5.73 0.00 3.05 3.07 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 0.00 123 A 9.10 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.04 4.97 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 1.05 0.00 0.00 125 A 9.11 4.84 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 0.00 126 E 8.78 5.33 0.00 1.87 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 2.23 2.31 0.00 127 Y 8.52 4.97 0.00 2.94 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 0.00 128 S 8.39 4.77 0.00 3.60 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.03 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 0.00 130 P 0.00 4.02 0.00 1.90 1.99 0.00 2.70 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 131 C 7.73 4.80 0.00 2.81 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 0.00 132 S 7.97 4.28 0.00 4.12 3.80 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