NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.8927 8.1627 120.2993 55.1117 33.8515 176.6953 2 E 3.7722 8.0727 122.3546 58.8955 30.2559 175.4939 3 A 4.1109 8.3804 120.5909 55.4315 18.8141 179.1801 4 V 3.6915 7.6718 116.0078 66.2145 31.7030 178.3204 5 K 4.2018 7.7436 116.8050 59.5559 31.7794 179.6237 6 T 3.9316 7.9120 115.8839 66.3777 68.3661 176.4386 7 F 4.2068 8.2272 122.5383 61.5529 39.3625 176.7696 8 N 4.0874 8.6680 116.2275 56.4332 38.4642 177.3647 9 S 4.1165 8.0011 116.2820 61.7454 62.7397 176.7820 10 E 3.9005 7.7539 119.5825 59.2159 29.6379 178.7408 11 L 3.6378 7.5700 120.6378 58.4185 42.0660 178.5238 12 Y 3.9155 8.0487 119.4477 60.3372 38.7312 177.6830 13 S 4.6900 7.9314 115.3004 59.4128 63.1146 175.9101 14 L 4.1030 7.6540 123.4883 58.2968 41.1516 178.8253 15 N 3.9370 7.5754 114.8428 55.3329 38.5221 176.0290 16 D 4.5157 8.0201 119.3200 53.8261 41.3466 175.2643 17 Y 4.7600 7.4006 117.2819 55.7010 41.0339 174.9745 18 K 4.2996 8.7036 125.0199 54.7718 33.0697 174.9006 19 P 4.5104 0.0000 0.0000 61.7948 31.9115 174.3471 20 P 4.4418 0.0000 0.0000 62.6665 31.9778 176.2013 21 I 4.0507 8.2124 122.8870 60.7236 38.1853 176.7020 22 S 4.3136 8.2451 119.4793 57.7510 65.0308 175.0745 23 K 3.7363 8.6635 124.1598 59.9489 31.9079 178.8320 24 A 3.9214 7.8463 120.1709 55.1332 18.3774 179.4155 25 K 3.9692 7.9492 118.1712 59.6129 32.2044 178.7288 26 M 4.0018 8.0748 118.6146 58.8384 32.0767 178.2703 27 T 3.8637 8.1146 116.0520 66.7478 68.6516 176.4456 28 Q 4.0000 7.9300 119.5688 59.0790 28.7923 179.0427 29 I 3.7463 7.6720 120.5810 64.8093 37.1801 178.7130 30 T 3.9179 8.0677 116.3719 66.5636 68.2928 176.7100 31 K 3.9034 8.7913 120.6414 59.7211 31.8911 179.1484 32 A 4.1077 8.0120 119.3395 55.1427 18.5083 179.2267 33 A 3.7278 8.3301 119.3390 55.1797 18.3595 179.9776 34 I 3.8940 7.9741 118.3443 64.6299 37.0428 178.8641 35 K 4.1756 8.1254 117.7156 58.6109 31.9296 178.0320 36 A 4.8130 7.5190 120.4767 51.9889 19.2233 178.6902 37 I 3.6238 7.7024 123.3722 65.0711 38.2346 177.3466 38 K 3.8272 8.0411 120.4882 58.4816 32.3324 176.7493 39 F 5.0042 7.9210 118.5300 56.6963 39.5536 177.2388 40 Y 4.1390 7.9683 121.4329 60.2137 37.6064 177.4216 41 K 3.5847 6.7425 119.6671 59.4699 32.0869 178.8473 42 H 4.1434 8.0744 116.0423 58.5604 28.6300 177.8326 43 V 3.5949 7.9267 120.1340 66.0558 31.3275 178.1834 44 V 3.3372 7.9683 118.1502 65.8811 31.2095 177.5071 45 Q 4.0002 8.1840 119.2492 59.5134 28.8428 178.5726 46 S 4.2616 8.6137 116.3776 61.7192 62.8829 176.9199 47 V 3.8501 8.3851 120.8605 66.2989 31.3659 177.9114 48 E 4.1323 8.7425 118.5044 59.2373 29.3027 179.2565 49 K 3.9524 8.4475 119.7911 59.4510 32.3096 178.3307 50 F 4.0584 8.7094 121.2716 61.6893 39.0854 177.0071 51 I 3.6971 7.9931 117.8712 64.5349 36.9605 177.9259 52 Q 4.0709 8.0085 119.3844 58.8301 29.0106 177.6591 53 K 4.2593 7.7517 117.8447 56.9039 32.9908 177.0781 54 C 3.8934 7.3707 113.3119 57.4314 30.0284 173.7161 55 K 4.1470 8.2977 119.4799 55.8078 32.7124 176.3079 56 P 4.1942 0.0000 0.0000 65.9873 31.0169 178.4893 57 E 4.0123 8.0283 113.5276 58.2200 29.7232 177.3067 58 Y 4.6424 7.8230 117.3504 57.9155 38.4903 177.5321 59 K 3.8973 7.8011 120.8790 59.3974 32.2297 179.1487 60 V 3.1687 7.5188 117.8053 65.5261 31.4738 175.7482 61 P 4.3674 0.0000 0.0000 65.8214 31.2522 178.6646 62 G 3.7418 8.5125 104.4163 47.7721 0.0000 175.4519 63 L 3.8835 8.0194 123.1119 58.1251 42.0057 178.7044 64 Y 4.4574 8.3202 117.0675 60.9314 37.6235 178.8060 65 V 3.6359 7.9297 119.3567 66.0320 31.5891 177.9160 66 I 3.3570 7.6003 119.1872 64.4439 36.9439 177.6317 67 D 4.8227 8.5990 118.8058 57.8212 41.0984 178.4762 68 S 4.1211 8.6044 113.7683 61.4314 62.3790 176.1855 69 I 3.5995 8.1186 122.8993 64.2276 36.7734 178.5842 70 V 3.6385 8.0630 119.2821 66.2320 31.4404 178.3108 71 R 3.9470 8.1958 117.8389 59.2541 29.8947 178.9167 72 Q 3.9873 8.2518 119.4326 59.2402 29.0990 178.2044 73 S 4.5699 8.4053 114.3473 61.5658 62.5879 176.3657 74 R 4.1927 8.3610 121.0632 59.4426 29.5562 178.5555 75 H 4.1402 8.1541 117.3074 59.2144 29.9717 176.7586 76 Q 3.9079 8.4904 120.6343 57.8277 29.0581 176.2455 77 F 4.6082 8.7348 115.7617 56.5746 40.6861 176.3414 78 G 3.9755 8.3419 108.8405 45.6036 0.0000 174.3555 79 Q 3.9145 8.7722 122.5237 59.0840 28.6808 178.5132 80 E 4.2662 8.0280 113.0063 56.9660 30.0149 177.0569 81 K 4.2224 7.6099 116.8267 56.4500 33.2188 176.2345 82 D 4.2720 7.7178 118.8922 54.9609 41.3121 176.7140 83 V 3.4874 7.8535 119.1266 63.1599 32.4532 178.6225 84 F 4.1044 8.6420 119.1639 60.3096 38.8350 177.3427 85 A 3.7735 8.3285 120.3710 54.8359 17.8441 177.9834 86 P 4.1865 0.0000 0.0000 65.5192 31.5384 178.4924 87 R 4.0703 7.7100 117.6890 59.6716 29.7806 178.6382 88 F 4.4642 8.9892 117.7836 60.7820 38.7360 177.8438 89 S 4.4302 8.6288 114.9731 61.4461 62.3315 176.1812 90 N 4.4228 7.7946 118.6334 56.0601 38.6179 176.5605 91 N 5.0406 7.5287 115.6992 53.1697 39.5281 176.8023 92 I 3.9767 7.7446 124.0508 64.0826 37.9666 177.9552 93 I 3.7727 7.7959 120.4475 64.5433 37.1551 177.8941 94 S 4.3675 8.2655 113.3813 61.9461 62.0049 176.3157 95 T 3.9378 8.0799 118.2508 66.8068 68.1964 176.8239 96 F 3.6107 8.6420 119.7023 60.1684 38.6800 177.6494 97 Q 4.2115 8.2056 117.1808 59.4184 28.9939 178.7558 98 N 4.5105 8.1926 117.0868 56.2640 38.1649 177.5183 99 L 3.8215 7.9466 120.7104 57.7732 41.3992 178.5044 100 Y 4.6086 7.9270 114.3789 59.1440 37.9141 176.2436 101 R 4.3460 7.4179 118.5941 56.4412 29.8824 176.3211 102 C 4.5582 7.3779 113.7077 56.4557 30.8502 171.5064 103 P 4.3483 0.0000 0.0000 62.3360 31.6813 177.7125 104 G 3.9711 8.9836 108.7573 48.3630 0.0000 175.4945 105 D 4.5617 8.0295 118.9116 54.7517 39.6449 176.8279 106 D 4.6303 8.2327 120.3578 54.9279 41.5212 178.3963 107 K 4.0602 7.7940 120.0509 59.6306 32.1476 179.0236 108 S 4.1819 8.1592 113.8053 61.6628 62.5100 176.6116 109 K 4.0442 7.8742 121.9758 59.1410 31.7221 179.4539 110 I 3.5922 7.6324 119.9739 64.1954 37.0348 178.5905 111 V 3.6315 7.7628 118.7175 65.7845 31.4354 177.6656 112 R 3.8302 8.0505 118.5473 59.4855 29.8839 178.5095 113 V 3.3233 7.3697 117.7305 66.0111 31.5013 177.7430 114 L 3.8208 7.5606 118.4854 57.9940 41.3604 179.4434 115 N 4.3920 8.6600 116.5194 56.2622 38.4426 177.4712 116 L 4.0563 8.0307 120.3706 57.6540 41.7358 179.5152 117 W 4.6263 8.6704 119.3250 60.0035 28.7669 178.4161 118 Q 4.0708 8.4900 119.4192 59.0775 28.3465 178.0247 119 K 4.0282 8.3333 119.8232 59.1983 32.3150 177.5794 120 N 4.8271 8.4374 113.7695 51.9790 38.7810 174.4999 121 N 4.3022 7.9144 115.9611 54.1769 37.0669 176.1447 122 V 3.6356 8.2005 119.2752 65.2703 31.7694 176.0928 123 F 4.6951 7.7920 115.3955 54.7354 42.2963 175.0814 124 K 4.0967 8.4947 122.1350 56.7187 32.7257 178.3747 125 S 4.1926 8.7608 116.4662 61.4698 62.0943 176.1780 126 E 4.0058 8.1704 120.9734 59.1629 29.4237 178.4716 127 I 3.9492 7.5176 119.3853 64.3817 37.6728 178.1000 128 I 3.8845 7.6274 120.2403 63.9929 36.9900 177.9451 129 Q 3.9679 8.1656 120.5338 58.9650 28.8661 176.8346 130 P 4.2595 0.0000 0.0000 65.4887 31.1327 178.5663 131 L 3.9919 7.7977 117.5188 57.5719 41.4698 179.4253 132 L 4.0490 7.7505 118.5854 57.8652 41.6146 178.8724 133 D 4.3895 8.3430 119.1976 57.8192 40.7659 178.8516 134 M 3.9472 8.2620 118.7461 58.5056 31.7946 178.7409 135 A 3.3301 7.3142 118.9059 54.8110 18.8579 179.1974 136 A 4.0084 7.9733 119.0676 55.3529 18.4295 179.8125 137 A 4.0285 8.1996 119.2904 55.1422 18.1667 179.7968 138 L 3.9744 7.6838 117.1932 57.8203 41.3683 179.2265 139 E 4.1411 7.7751 117.3075 58.4156 29.6062 177.6596 140 H 4.6344 7.4784 113.8426 56.0860 29.1736 174.9052 141 H 4.5486 7.6284 122.4404 55.9234 29.3482 173.2222 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 8.16 3.89 0.00 1.39 1.79 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 2.30 1.68 0.00 2 E 8.07 3.77 0.00 2.12 1.97 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 2.42 2.47 0.00 3 A 8.38 4.11 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.67 3.69 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 1.03 0.00 0.00 0.71 0.00 0.00 5 K 7.74 4.20 0.00 2.03 1.83 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.62 7.81 6 T 7.91 3.93 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 7 F 8.23 4.21 0.00 3.25 3.36 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 8 N 8.67 4.09 0.00 2.94 2.83 0.00 0.00 7.09 7.60 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 9 S 8.00 4.12 0.00 4.04 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 10 E 7.75 3.90 0.00 2.00 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 2.52 2.50 0.00 11 L 7.57 3.64 0.00 0.72 1.31 0.41 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.05 3.92 0.00 3.14 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 13 S 7.93 4.69 0.00 4.24 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 0.00 14 L 7.65 4.10 0.00 1.55 1.72 0.51 0.47 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 15 N 7.58 3.94 0.00 2.39 2.60 0.00 0.00 7.05 8.16 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 16 D 8.02 4.52 0.00 2.46 2.27 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 0.00 17 Y 7.40 4.76 0.00 3.15 2.87 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 18 K 8.70 4.30 0.00 1.75 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.42 7.81 19 P 0.00 4.51 0.00 1.94 1.90 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 20 P 0.00 4.44 0.00 2.21 2.09 0.00 3.77 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 2.00 2.00 0.00 21 I 8.21 4.05 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.85 0.00 0.00 22 S 8.25 4.31 0.00 3.98 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 23 K 8.66 3.74 0.00 1.79 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 24 A 7.85 3.92 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 25 K 7.95 3.97 0.00 1.47 1.52 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.86 1.28 7.81 26 M 8.07 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 27 T 8.11 3.86 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 1.21 0.00 0.00 28 Q 7.93 4.00 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 29 I 7.67 3.75 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 0.98 0.00 0.00 30 T 8.07 3.92 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 K 8.79 3.90 0.00 2.01 1.93 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 32 A 8.01 4.11 1.59 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 33 A 8.33 3.73 0.93 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 0.00 0.00 34 I 7.97 3.89 1.99 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 1.81 0.98 1.27 0.00 0.00 35 K 8.13 4.18 0.00 1.99 1.97 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.71 7.81 36 A 7.52 4.81 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 37 I 7.70 3.62 2.06 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.49 0.86 0.00 0.00 38 K 8.04 3.83 0.00 1.46 1.24 0.00 1.45 0.00 0.00 0.65 0.00 0.00 2.63 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.45 1.07 7.81 39 F 7.92 5.00 0.00 3.09 2.89 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 0.00 0.00 0.00 40 Y 7.97 4.14 0.00 1.99 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 41 K 6.74 3.58 0.00 1.44 1.59 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.00 0.21 7.81 42 H 8.07 4.14 0.00 3.47 3.38 0.00 5.82 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 43 V 7.93 3.59 2.40 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 0.38 0.00 0.00 0.82 0.00 0.00 44 V 7.97 3.34 1.87 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 0.69 0.00 0.00 0.42 0.00 0.00 45 Q 8.18 4.00 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 46 S 8.61 4.26 0.00 4.44 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 47 V 8.39 3.85 2.72 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 1.37 0.00 0.00 1.50 0.00 0.00 48 E 8.74 4.13 0.00 2.39 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 2.57 2.75 0.00 49 K 8.45 3.95 0.00 2.01 2.17 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 50 F 8.71 4.06 0.00 3.27 3.29 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 51 I 7.99 3.70 2.08 0.00 0.00 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 1.45 0.88 0.89 0.00 0.00 52 Q 8.01 4.07 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 53 K 7.75 4.26 0.00 1.78 1.79 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 C 7.37 3.89 0.00 2.35 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 55 K 8.30 4.15 0.00 2.07 1.88 0.00 2.01 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.56 1.59 7.81 56 P 0.00 4.19 0.00 2.10 2.08 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 57 E 8.03 4.01 0.00 1.82 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 1.47 1.69 0.00 58 Y 7.82 4.64 0.00 3.07 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 59 K 7.80 3.90 0.00 1.68 1.70 0.00 1.81 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 60 V 7.52 3.17 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 0.28 0.00 0.00 0.77 0.00 0.00 61 P 0.00 4.37 0.00 2.56 2.25 0.00 3.71 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 2.29 2.19 0.00 62 G 8.51 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 0.00 0.00 0.00 63 L 8.02 3.88 0.00 1.40 1.53 0.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.32 4.46 0.00 3.11 2.89 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 0.00 0.00 0.00 65 V 7.93 3.64 2.31 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 1.26 0.00 0.00 0.98 0.00 0.00 66 I 7.60 3.36 2.07 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.54 0.43 0.00 0.00 67 D 8.60 4.82 0.00 3.15 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 68 S 8.60 4.12 0.00 4.04 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 69 I 8.12 3.60 1.88 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 0.47 0.01 0.00 0.00 70 V 8.06 3.64 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 0.88 0.00 0.00 1.11 0.00 0.00 71 R 8.20 3.95 0.00 2.06 2.01 0.00 3.41 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 72 Q 8.25 3.99 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 73 S 8.41 4.57 0.00 4.24 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 0.00 74 R 8.36 4.19 0.00 2.05 1.97 0.00 3.02 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 75 H 8.15 4.14 0.00 3.22 3.51 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.49 3.91 0.00 2.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 1.42 2.06 0.00 77 F 8.73 4.61 0.00 3.11 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 78 G 8.34 3.98 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 0.00 0.00 0.00 79 Q 8.77 3.91 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 80 E 8.03 4.27 0.00 1.93 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 0.00 2.25 2.30 0.00 81 K 7.61 4.22 0.00 1.99 1.83 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 82 D 7.72 4.27 0.00 2.66 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 83 V 7.85 3.49 0.67 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 0.08 0.00 0.00 -0.43 0.00 0.00 84 F 8.64 4.10 0.00 3.28 3.28 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 85 A 8.33 3.77 0.69 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 0.00 0.00 86 P 0.00 4.19 0.00 1.97 2.07 0.00 3.67 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 87 R 7.71 4.07 0.00 2.06 2.06 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 88 F 8.99 4.46 0.00 3.46 3.27 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 0.00 89 S 8.63 4.43 0.00 4.21 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 90 N 7.79 4.42 0.00 2.84 2.95 0.00 0.00 6.90 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 7.53 5.04 0.00 2.95 2.88 0.00 0.00 6.72 7.36 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 92 I 7.74 3.98 2.16 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 1.00 0.00 0.00 93 I 7.80 3.77 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.98 0.00 0.00 94 S 8.27 4.37 0.00 3.95 4.11 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 95 T 8.08 3.94 4.65 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 0.00 0.00 0.00 1.23 0.00 0.00 96 F 8.64 3.61 0.00 3.27 3.11 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 97 Q 8.21 4.21 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 98 N 8.19 4.51 0.00 2.89 2.84 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.95 3.82 0.00 1.11 1.10 -0.45 0.75 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 0.00 100 Y 7.93 4.61 0.00 3.04 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 0.00 101 R 7.42 4.35 0.00 2.06 1.94 0.00 3.16 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 102 C 7.38 4.56 0.00 3.02 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 0.00 103 P 0.00 4.35 0.00 2.32 1.97 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 104 G 8.98 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 0.00 0.00 0.00 105 D 8.03 4.56 0.00 2.82 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 0.00 106 D 8.23 4.63 0.00 2.90 2.65 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 0.00 0.00 0.00 0.00 107 K 7.79 4.06 0.00 1.95 1.91 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.62 1.54 7.81 108 S 8.16 4.18 0.00 4.04 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 0.00 109 K 7.87 4.04 0.00 1.87 1.84 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.47 7.81 110 I 7.63 3.59 2.07 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.88 0.73 0.00 0.00 111 V 7.76 3.63 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 0.92 0.00 0.00 1.05 0.00 0.00 112 R 8.05 3.83 0.00 2.06 2.06 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 113 V 7.37 3.32 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 -0.20 0.00 0.00 1.01 0.00 0.00 114 L 7.56 3.82 0.00 1.87 1.68 0.94 0.13 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 0.00 115 N 8.66 4.39 0.00 2.89 2.88 0.00 0.00 7.04 6.74 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 0.00 116 L 8.03 4.06 0.00 1.86 1.81 0.91 0.84 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 0.00 117 W 8.67 4.63 0.00 3.56 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 0.00 118 Q 8.49 4.07 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 119 K 8.33 4.03 0.00 1.92 2.08 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 120 N 8.44 4.83 0.00 2.91 2.89 0.00 0.00 7.17 7.57 0.00 0.00 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 N 7.91 4.30 0.00 2.86 2.90 0.00 0.00 6.83 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.20 3.64 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 0.46 0.00 0.00 1.08 0.00 0.00 123 F 7.79 4.70 0.00 2.94 2.89 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 0.00 0.00 0.00 124 K 8.49 4.10 0.00 1.87 1.77 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.45 7.81 125 S 8.76 4.19 0.00 3.93 3.89 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 0.00 0.00 0.00 126 E 8.17 4.01 0.00 2.02 2.00 0.00 0.00 0.00 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 2.43 0.00 127 I 7.52 3.95 2.14 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.06 0.99 0.00 0.00 128 I 7.63 3.88 1.95 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.22 1.01 0.00 0.00 129 Q 8.17 3.97 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 130 P 0.00 4.26 0.00 2.20 2.09 0.00 3.87 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 2.12 2.19 0.00 131 L 7.80 3.99 0.00 1.63 1.24 0.04 0.37 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 0.00 132 L 7.75 4.05 0.00 1.92 1.71 0.99 0.83 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 0.00 133 D 8.34 4.39 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 8.26 3.95 0.00 2.05 2.43 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.63 0.00 135 A 7.31 3.33 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 0.00 136 A 7.97 4.01 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 0.00 137 A 8.20 4.03 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 0.00 138 L 7.68 3.97 0.00 1.74 1.63 0.61 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.78 4.14 0.00 1.84 1.87 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 2.45 2.40 0.00 140 H 7.48 4.63 0.00 2.91 3.18 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.63 4.55 0.00 3.11 3.12 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00