NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.3789 8.4045 120.3234 55.0927 33.1583 175.6275 9 K 3.9011 7.5741 122.2106 53.1769 33.1275 177.2773 10 L 3.8058 9.5458 128.1098 57.4217 42.8099 178.6567 11 E 4.2804 8.0431 115.3175 58.7131 29.4823 177.3342 12 N 4.8052 8.0833 115.3738 52.9354 38.9647 174.5430 13 Q 4.5643 8.2621 121.1578 54.0688 30.7743 175.4942 14 L 3.9799 8.6242 129.5717 58.3963 42.1402 178.7882 15 S 4.1247 8.1519 113.5259 61.6788 62.7436 176.0462 16 F 4.3002 8.2781 123.9106 61.0060 39.1669 176.9150 17 L 3.6539 7.9764 118.5052 57.4510 41.3436 179.6071 18 L 3.9110 8.0671 119.0623 57.9631 41.7803 178.6688 19 Y 4.1120 8.1749 119.3370 60.7506 38.6865 178.0178 20 A 3.8379 7.9091 121.4863 54.4021 18.8109 179.5981 21 S 4.0623 7.9684 112.7015 61.1612 63.0970 176.7287 22 S 3.9989 7.9334 117.2116 61.2664 62.2409 176.2121 23 R 3.8307 7.3883 119.7718 58.8478 29.6033 178.6958 24 E 3.9956 7.8062 117.6451 58.9212 29.7062 178.7304 25 M 4.1387 7.6279 118.2440 59.0602 32.2722 178.2977 26 T 3.4609 7.9409 116.1486 66.5695 68.2625 176.7028 27 K 4.0087 7.6076 119.3673 59.3520 32.0987 179.1132 28 Q 4.1008 7.7674 117.8123 59.1634 28.8950 178.0963 29 Y 4.0516 8.1172 117.2380 60.1777 37.8684 177.7119 30 K 3.8713 7.7006 121.4169 59.3645 32.0672 176.7116 31 P 4.2343 0.0000 0.0000 65.5341 31.1447 178.5602 32 L 3.9874 7.7910 115.9797 57.9739 41.8012 179.2296 33 L 4.1852 8.6574 119.0660 57.6164 41.5061 179.0632 34 D 4.4530 8.7178 122.0012 57.9245 40.5671 179.2944 35 K 4.2448 7.7620 122.4395 58.2686 31.7060 179.7027 36 L 4.8872 7.6977 115.8717 54.3753 42.7600 175.9310 37 N 4.2770 8.2515 115.3059 54.0152 36.6290 173.9589 38 I 4.6939 7.4635 107.9682 58.5247 41.3276 175.3174 39 T 4.4116 8.0972 112.6126 60.7914 71.7497 175.0558 40 Y 4.0048 8.3669 120.2333 60.5314 38.8065 175.8523 41 P 4.0754 0.0000 0.0000 65.6008 31.4573 178.5971 42 Q 3.9109 7.7875 116.4887 59.0431 28.5382 178.1910 43 Y 4.0939 7.8155 120.1127 60.6209 38.6403 178.1704 44 L 3.4965 7.4986 119.7560 57.2261 41.6419 179.1898 45 A 3.7721 7.6912 120.7171 55.2276 18.3644 179.5506 46 L 3.0824 7.7582 117.6333 57.5803 41.2038 179.6686 47 L 4.0014 7.0693 117.8190 57.7891 41.8285 179.4567 48 L 4.0462 7.3638 118.4950 57.9273 41.5508 179.6315 49 L 4.1083 7.6340 118.6604 57.4648 41.2412 179.3606 50 W 4.4580 8.1822 117.8790 58.5530 29.1176 177.1959 51 E 4.5245 7.9691 118.2383 56.5322 30.5958 175.4139 52 H 4.8319 7.3751 115.2124 53.4613 29.9105 174.1351 53 E 3.8813 7.7575 124.7381 56.5059 30.9121 176.9698 54 T 5.0515 7.5068 113.7627 61.8333 71.8408 173.6800 55 L 4.8321 8.9202 124.2078 53.5223 46.9208 175.3791 56 T 4.6710 8.3229 111.2746 60.9586 70.6447 175.7616 57 V 3.5051 8.4891 123.1956 66.2220 31.4903 178.0422 58 K 3.7592 8.1122 118.6467 59.7916 31.8667 178.1630 59 K 3.8177 7.8160 117.7513 59.9363 32.0560 179.0390 60 M 4.0714 8.0908 118.7677 58.3076 31.8639 179.0233 61 G 3.6116 8.2395 105.8445 47.3228 0.0000 175.1255 62 E 3.8012 8.0015 121.4379 59.4625 29.3210 179.6603 63 Q 3.7927 7.8427 116.8121 58.2491 28.8842 178.1355 64 L 4.3790 7.5713 117.0180 53.4938 42.4360 175.7951 65 Y 3.6537 7.1704 115.3803 59.1699 35.8177 169.4661 66 L 4.9399 7.9224 117.4530 52.9347 45.9083 174.9833 67 D 4.8811 8.0601 118.0608 50.5585 42.7549 176.2204 68 S 4.2978 8.7912 113.5428 61.7529 62.0849 176.7159 69 G 3.6360 8.5451 108.6954 47.0658 0.0000 174.6788 70 T 4.4089 8.3853 116.8062 65.4496 69.9130 176.9191 71 L 4.0160 7.7881 120.1563 57.8845 41.5120 179.6438 72 T 3.8053 7.9410 115.8111 66.2693 68.4907 174.9796 73 P 4.2346 0.0000 0.0000 65.5493 31.4724 178.3182 74 M 3.9560 7.9036 116.8170 58.8682 32.2367 178.3869 75 L 4.0062 8.3939 119.2130 57.2886 41.6385 179.5822 76 K 3.8752 7.7456 119.5761 59.5111 32.1315 178.9078 77 R 3.9104 7.8355 118.1941 59.7935 30.0496 178.9256 78 M 4.0220 7.9579 118.1291 58.3602 31.8637 178.8877 79 E 4.2231 7.9972 120.0194 59.0941 29.5390 179.0299 80 Q 4.1557 7.9517 118.0686 59.0467 29.1228 177.3657 81 Q 4.3008 8.0919 118.0445 55.7086 29.1886 175.9762 82 G 3.9233 8.2061 106.6595 47.2052 0.0000 174.5210 83 L 4.6600 8.0571 120.8754 55.1641 43.2008 176.3971 84 I 5.1683 7.5616 111.4014 59.6066 41.2298 173.8773 85 T 4.6847 9.1767 113.9178 60.0077 71.8808 172.9618 86 R 5.2054 8.4440 122.7594 54.5080 32.8875 174.4270 87 K 4.7147 8.6668 124.3542 54.6607 36.3424 175.7382 88 R 4.2755 8.7101 123.0155 56.6719 30.8749 175.9715 89 S 4.1723 9.0103 121.3966 58.5480 63.0202 174.7410 90 E 4.0096 8.9280 128.0506 59.4137 29.5604 177.5620 91 E 3.9042 8.0202 116.8460 58.5072 29.8920 176.7470 92 D 4.7389 8.0232 125.3537 52.1173 41.8870 176.4923 93 E 4.2369 8.7014 126.0396 57.6842 29.7483 178.8387 94 R 4.1275 8.5740 118.2743 57.8553 30.6987 176.7822 95 S 4.7760 8.2510 112.7211 56.9311 65.8978 173.4273 96 V 4.6407 8.1264 119.8597 61.0376 34.5973 173.6404 97 L 4.9947 8.5606 129.2163 53.7174 43.9230 174.8312 98 I 4.9064 9.0897 127.9702 59.7830 39.5810 174.9355 99 S 5.1831 8.7134 122.1506 56.3729 67.0922 173.8066 100 L 4.6604 8.2730 123.0418 55.2196 42.2753 176.8100 101 T 4.4987 8.3995 112.1012 60.2486 71.3030 175.4708 102 E 3.9785 8.9007 121.4719 59.9559 29.3646 179.5300 103 D 4.5299 8.1563 118.4318 57.3445 40.7753 178.9027 104 G 3.7533 8.3866 105.5031 47.3250 0.0000 175.5936 105 A 4.5359 8.5029 123.4941 55.3793 18.6276 179.7006 106 L 3.9280 8.4047 117.8998 57.8204 41.3348 179.5081 107 L 4.0867 8.0727 120.1759 57.5624 41.8699 178.7081 108 K 2.4800 7.7545 119.9812 58.8801 31.7191 178.0098 109 E 3.8330 7.6139 118.2298 59.6134 29.3242 179.4286 110 K 4.2393 7.5235 113.8692 57.5834 32.1667 177.7721 111 A 4.7807 8.2520 121.2027 51.5356 19.5754 178.3769 112 V 3.6310 7.8099 119.0245 64.2634 31.4670 177.2307 113 D 4.8225 7.6855 117.3193 54.1297 41.0205 178.2991 114 I 3.6879 7.5540 122.7620 64.1033 37.1997 176.3095 115 P 4.4233 0.0000 0.0000 65.6435 31.0819 178.8410 116 G 3.5943 8.0356 103.7530 48.1244 0.0000 175.4917 117 T 3.8294 7.3190 117.2378 66.3799 68.8085 176.3457 118 I 3.6454 7.6535 121.4420 64.1483 37.0865 178.0355 119 L 4.0882 8.2748 121.6916 58.1757 41.5839 179.8200 120 G 3.9858 7.9869 100.9357 45.0331 0.0000 173.5101 121 L 4.6038 8.3965 120.4378 56.1539 45.2354 179.0623 122 S 4.0348 8.6408 114.4562 61.8193 62.5426 175.9259 123 K 4.1982 7.9438 119.8622 55.9751 31.6872 179.8803 124 Q 4.2974 7.7485 117.2733 58.3424 29.5956 176.5347 125 S 4.7393 7.7140 114.1761 59.2604 64.5272 176.1731 126 G 3.9107 8.5166 110.8268 44.9499 0.0000 172.9972 127 E 4.1121 7.8032 120.4670 56.7755 29.6990 177.5857 128 D 4.9616 7.9872 115.6027 55.7734 40.5172 178.9787 129 L 3.4983 7.9819 123.7486 58.5265 41.4407 179.2582 130 K 4.1933 8.0819 118.2685 59.5002 32.0262 178.9263 131 Q 3.9529 8.9047 120.8069 59.1128 28.9941 177.7424 132 L 3.9131 7.8705 120.7533 58.1609 42.3232 178.5157 133 K 3.7227 9.3424 118.6391 59.7323 32.0648 178.9243 134 S 4.3576 8.4734 112.8862 61.4924 62.2670 175.7127 135 A 3.9978 8.1925 123.4816 55.4644 18.0392 179.2531 136 L 3.8405 7.7730 117.0446 58.3715 41.7204 179.4152 137 Y 4.2169 7.6088 115.7992 61.5915 37.8920 179.1598 138 T 3.9305 7.8948 116.0290 66.4585 68.5222 176.3386 139 L 3.8936 8.2241 122.5988 58.3126 42.0746 178.4754 140 L 3.8206 8.7382 122.9766 59.2321 41.6421 179.6685 141 E 4.0943 7.9929 116.9588 61.2607 29.7346 181.0718 142 T 4.2714 7.7140 115.6677 66.6899 68.7265 176.8968 143 L 4.1011 8.3984 119.7399 57.6303 41.6260 177.3126 144 H 4.4906 8.1298 122.2638 56.5172 29.9573 174.5585 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 8 M 8.40 4.38 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 9 K 7.57 3.90 0.00 1.76 1.70 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.06 7.81 10 L 9.55 3.81 0.00 1.41 1.40 -0.62 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.04 4.28 0.00 2.03 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 0.00 2.30 2.32 0.00 12 N 8.08 4.81 0.00 2.90 2.84 0.00 0.00 6.77 7.21 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 13 Q 8.26 4.56 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 14 L 8.62 3.98 0.00 1.81 1.68 0.92 0.89 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 15 S 8.15 4.12 0.00 4.09 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 16 F 8.28 4.30 0.00 3.06 3.39 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 17 L 7.98 3.65 0.00 1.87 1.62 0.95 0.39 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 18 L 8.07 3.91 0.00 1.84 1.69 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.17 4.11 0.00 2.91 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 20 A 7.91 3.84 0.90 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 0.00 0.00 21 S 7.97 4.06 0.00 4.00 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 22 S 7.93 4.00 0.00 3.88 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 23 R 7.39 3.83 0.00 1.73 1.76 0.00 2.84 0.00 0.00 2.45 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 24 E 7.81 4.00 0.00 1.88 1.95 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 2.45 2.38 0.00 25 M 7.63 4.14 0.00 2.12 2.12 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 2.70 2.65 0.00 26 T 7.94 3.46 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 1.09 0.00 0.00 27 K 7.61 4.01 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.65 7.81 28 Q 7.77 4.10 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 29 Y 8.12 4.05 0.00 3.11 2.97 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 30 K 7.70 3.87 0.00 1.89 1.91 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.80 7.81 31 P 0.00 4.23 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 32 L 7.79 3.99 0.00 1.66 1.68 0.69 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.66 4.19 0.00 1.78 1.98 0.98 0.91 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 34 D 8.72 4.45 0.00 2.86 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 35 K 7.76 4.24 0.00 1.81 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 36 L 7.70 4.89 0.00 1.66 1.77 1.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.25 4.28 0.00 2.87 2.90 0.00 0.00 6.64 7.07 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 38 I 7.46 4.69 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 1.05 0.00 0.00 39 T 8.10 4.41 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 1.24 0.00 0.00 40 Y 8.37 4.00 0.00 3.03 2.99 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 41 P 0.00 4.08 0.00 2.18 2.06 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 42 Q 7.79 3.91 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 43 Y 7.82 4.09 0.00 2.94 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 44 L 7.50 3.50 0.00 1.66 1.47 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.69 3.77 1.22 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 46 L 7.76 3.08 0.00 0.95 0.13 0.52 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.07 4.00 0.00 1.50 1.61 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.36 4.05 0.00 1.70 1.66 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.63 4.11 0.00 1.37 1.54 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.18 4.46 0.00 3.35 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 51 E 7.97 4.52 0.00 1.90 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 1.77 2.23 0.00 52 H 7.38 4.83 0.00 3.27 3.12 0.00 5.70 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 53 E 7.76 3.88 0.00 2.05 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 2.39 2.43 0.00 54 T 7.51 5.05 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 1.24 0.00 0.00 55 L 8.92 4.83 0.00 1.48 1.44 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.32 4.67 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 1.19 0.00 0.00 57 V 8.49 3.51 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 1.04 0.00 0.00 0.96 0.00 0.00 58 K 8.11 3.76 0.00 1.83 1.79 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.54 7.81 59 K 7.82 3.82 0.00 1.97 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 60 M 8.09 4.07 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 61 G 8.24 3.61 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 0.00 0.00 0.00 62 E 8.00 3.80 0.00 2.13 1.88 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 2.29 2.31 0.00 63 Q 7.84 3.79 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 64 L 7.57 4.38 0.00 1.67 1.67 0.82 0.59 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 65 Y 7.17 3.65 0.00 3.19 3.03 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 66 L 7.92 4.94 0.00 1.66 1.53 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.06 4.88 0.00 2.84 2.75 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 68 S 8.79 4.30 0.00 4.06 4.18 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 69 G 8.55 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 70 T 8.39 4.41 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 1.21 0.00 0.00 71 L 7.79 4.02 0.00 1.66 1.69 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.94 3.81 4.34 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 0.00 0.00 0.00 1.20 0.00 0.00 73 P 0.00 4.23 0.00 2.15 2.09 0.00 3.85 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 2.21 2.13 0.00 74 M 7.90 3.96 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 75 L 8.39 4.01 0.00 1.71 1.67 0.88 0.56 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 76 K 7.75 3.88 0.00 2.00 2.05 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 77 R 7.84 3.91 0.00 2.08 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 78 M 7.96 4.02 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 79 E 8.00 4.22 0.00 2.20 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 2.46 2.40 0.00 80 Q 7.95 4.16 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 81 Q 8.09 4.30 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.19 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 82 G 8.21 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 83 L 8.06 4.66 0.00 1.60 1.72 0.93 0.68 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 84 I 7.56 5.17 1.91 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 1.36 0.75 0.84 0.00 0.00 85 T 9.18 4.68 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 86 R 8.44 5.21 0.00 1.88 1.80 0.00 3.32 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 87 K 8.67 4.71 0.00 1.79 1.81 0.00 1.37 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.36 7.81 88 R 8.71 4.28 0.00 1.82 1.87 0.00 3.28 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 89 S 9.01 4.17 0.00 3.92 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 90 E 8.93 4.01 0.00 1.94 1.95 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 2.28 2.38 0.00 91 E 8.02 3.90 0.00 1.99 1.95 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 2.31 2.29 0.00 92 D 8.02 4.74 0.00 2.63 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 93 E 8.70 4.24 0.00 1.99 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 2.25 0.00 94 R 8.57 4.13 0.00 1.94 1.97 0.00 3.14 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 95 S 8.25 4.78 0.00 3.85 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 96 V 8.13 4.64 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 0.95 0.00 0.00 0.92 0.00 0.00 97 L 8.56 4.99 0.00 1.96 1.50 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 98 I 9.09 4.91 1.94 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 1.19 0.88 0.85 0.00 0.00 99 S 8.71 5.18 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 0.00 100 L 8.27 4.66 0.00 1.52 1.66 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.40 4.50 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 1.24 0.00 0.00 102 E 8.90 3.98 0.00 2.05 2.08 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 2.42 2.43 0.00 103 D 8.16 4.53 0.00 2.88 2.75 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 0.00 104 G 8.39 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 0.00 105 A 8.50 4.54 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 0.00 106 L 8.40 3.93 0.00 1.98 1.75 0.93 0.45 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 0.00 107 L 8.07 4.09 0.00 2.12 2.24 1.02 0.63 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 0.00 108 K 7.75 2.48 0.00 0.79 1.11 0.00 1.32 0.00 0.00 1.30 0.00 0.00 2.62 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.41 0.21 7.81 109 E 7.61 3.83 0.00 2.02 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 2.39 2.46 0.00 110 K 7.52 4.24 0.00 1.84 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 111 A 8.25 4.78 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.81 3.63 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 0.80 0.00 0.00 0.89 0.00 0.00 113 D 7.69 4.82 0.00 2.69 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 0.00 114 I 7.55 3.69 2.05 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 1.63 1.05 0.85 0.00 0.00 115 P 0.00 4.42 0.00 2.22 2.23 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 116 G 8.04 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 0.00 117 T 7.32 3.83 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 1.13 0.00 0.00 118 I 7.65 3.65 1.82 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.22 0.84 0.00 0.00 119 L 8.27 4.09 0.00 1.92 1.72 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.99 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 0.00 121 L 8.40 4.60 0.00 1.87 1.57 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.64 4.03 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 0.00 123 K 7.94 4.20 0.00 1.72 1.79 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 0.99 7.81 124 Q 7.75 4.30 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 125 S 7.71 4.74 0.00 3.87 3.58 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 0.00 126 G 8.52 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 0.00 127 E 7.80 4.11 0.00 2.16 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 2.52 2.34 0.00 128 D 7.99 4.96 0.00 2.98 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 0.00 129 L 7.98 3.50 0.00 1.74 1.77 0.94 0.97 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 0.00 130 K 8.08 4.19 0.00 1.87 1.89 0.00 1.50 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.59 7.81 131 Q 8.90 3.95 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 132 L 7.87 3.91 0.00 1.80 1.81 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 133 K 9.34 3.72 0.00 2.23 2.07 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.51 7.81 134 S 8.47 4.36 0.00 4.01 4.19 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 0.00 135 A 8.19 4.00 1.41 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 0.00 136 L 7.77 3.84 0.00 1.59 1.58 0.83 0.90 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 0.00 137 Y 7.61 4.22 0.00 3.37 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 0.00 138 T 7.89 3.93 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 1.24 0.00 0.00 139 L 8.22 3.89 0.00 1.83 1.84 0.92 0.45 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 0.00 140 L 8.74 3.82 0.00 1.80 1.96 0.38 1.24 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 0.00 141 E 7.99 4.09 0.00 2.13 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 2.26 2.22 0.00 142 T 7.71 4.27 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 1.22 0.00 0.00 143 L 8.40 4.10 0.00 1.49 1.69 0.96 1.29 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 0.00 144 H 8.13 4.49 0.00 3.27 3.40 0.00 5.98 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00