NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4816 8.1233 122.4757 52.1939 21.1028 175.1575 2 T 5.0187 8.1552 114.4371 61.5301 72.1550 171.9623 3 W 5.0851 10.6986 128.3751 55.8830 32.5253 175.2575 4 T 5.2167 9.5396 119.7915 62.2446 71.3728 172.2780 5 C 5.3326 9.3542 124.0692 55.1770 43.7085 173.3946 6 I 4.8633 8.5070 123.8863 60.0346 38.0688 174.3805 7 N 5.1484 9.0807 127.6200 51.4894 41.1563 173.8220 8 Q 4.7631 9.5538 126.7868 56.2839 30.1427 175.4282 9 Q 5.0901 9.2350 122.2852 53.8411 33.1537 174.4146 10 L 3.7720 8.0911 125.4963 54.3290 42.4193 175.7807 11 N 4.2963 8.6956 127.2230 53.0508 39.3486 173.6663 12 P 4.1391 0.0000 0.0000 65.7722 31.6812 177.8854 13 K 4.1186 8.1374 116.1826 59.1740 32.4011 178.3399 14 T 4.0269 8.1014 106.9511 61.5350 69.3301 174.5013 15 N 4.0262 7.8697 119.0251 53.9989 38.4473 172.8914 16 K 4.6160 7.4672 114.5978 55.0796 36.1934 174.9565 17 W 5.1939 8.7795 120.6875 55.3753 30.1544 175.6461 18 E 4.8193 8.9179 123.9280 54.0909 31.7216 175.3365 19 D 4.8067 8.9349 123.5428 54.6988 41.6755 175.6315 20 K 4.6086 9.1117 123.4954 54.5631 34.8237 175.2185 21 R 4.6356 8.6539 125.6818 55.4362 31.1096 175.1086 22 L 4.7092 9.2346 127.1129 52.8704 44.2010 175.3189 23 L 5.2628 8.1758 123.0739 53.2156 44.2829 174.9144 24 Y 4.8256 9.1652 121.5194 56.1023 41.7784 175.0030 25 S 4.9487 8.6859 117.5721 57.3407 63.4224 174.3641 26 Q 3.6995 9.2593 129.5473 59.1565 28.7295 178.0957 27 A 3.8420 7.9265 121.0878 55.4167 18.3758 179.7080 28 K 3.9585 8.1013 116.4852 59.3413 32.0329 179.5347 29 A 3.9678 8.1852 121.4315 55.1587 18.3829 179.5612 30 E 3.7549 7.9691 117.1022 59.4059 29.5348 179.2365 31 S 4.1346 7.9563 113.2099 61.6122 62.1358 175.7706 32 N 5.0499 8.2092 119.2792 55.9963 38.4956 177.2186 33 S 3.5362 7.4893 113.5659 61.2734 62.7814 176.1196 34 H 4.3054 7.6799 119.5616 59.0270 28.5294 177.1991 35 H 4.1903 8.2035 115.3662 56.5920 28.8913 175.1282 36 A 4.1077 6.7696 124.5000 49.0084 20.1884 175.1569 37 P 4.1629 0.0000 0.0000 63.2901 31.7679 176.6629 38 L 4.4735 8.0913 122.9316 53.5648 40.3257 174.5558 39 S 4.7755 7.6122 115.5696 56.5349 66.7415 174.6459 40 D 4.6967 8.4238 119.8100 52.9864 40.4318 173.8110 41 G 4.0682 9.4058 107.1110 46.0214 0.0000 171.3743 42 K 4.5447 8.1283 122.1699 56.9365 34.2514 176.0162 43 T 4.8396 7.8694 108.8286 59.5631 71.1586 174.5264 44 G 4.0789 9.0733 112.1798 49.0828 0.0000 175.4612 45 S 4.3740 8.8021 115.5405 58.9664 63.3765 175.7967 46 S 4.5608 8.6288 115.8749 57.7096 62.1837 167.6084 47 Y 5.0343 7.7873 118.0212 55.8372 40.1720 173.7622 48 P 5.4520 0.0000 0.0000 63.4179 33.6626 174.2121 49 H 5.3562 8.9512 114.8624 53.8164 32.5348 172.4190 50 W 5.0400 9.5933 129.8943 58.5284 30.9005 175.0327 51 F 4.6100 9.2163 130.8973 56.5644 38.8672 175.3584 52 T 2.9381 7.2105 117.9883 62.3201 68.4999 174.9524 53 N 3.6469 7.7088 118.0242 53.9456 37.5954 174.1155 54 G 3.4303 8.0655 102.2105 45.5883 0.0000 173.2915 55 Y 5.2610 7.2580 115.2636 55.7026 41.5874 175.3805 56 D 4.9160 9.1816 123.5424 52.1302 41.0792 177.3908 57 G 3.7156 8.8728 107.0829 47.6984 0.0000 174.9639 58 N 4.3306 9.7346 117.0681 56.3627 39.2214 174.9986 59 G 3.2539 7.2779 106.1502 44.6825 0.0000 173.2262 60 K 4.2650 8.0710 124.1524 55.9115 33.5046 175.5946 61 L 4.7094 8.6455 129.7257 54.7898 42.9524 176.1823 62 I 3.8266 8.3165 127.8784 60.9425 37.4205 176.0045 63 K 3.5820 8.8075 128.1997 58.1765 32.5219 176.0115 64 G 3.7765 9.1359 112.9049 46.2638 0.0000 173.2215 65 R 4.5800 7.4672 114.7219 54.7206 34.5170 175.5054 66 T 4.4047 7.9848 115.8893 61.0907 71.3166 172.6271 67 P 4.5901 0.0000 0.0000 61.5109 32.0887 176.4917 68 I 3.6410 9.0372 122.4460 61.0983 37.4404 176.1040 69 K 4.4490 8.0976 125.6140 54.9098 32.0979 176.1319 70 F 4.3551 9.7951 126.8924 58.4934 39.1982 177.3318 71 G 4.0228 9.3336 107.7224 45.7061 0.0000 173.4109 72 K 4.5560 8.2369 120.0926 53.8286 35.6166 175.8710 73 A 3.9288 8.8491 128.5128 56.1305 18.1768 178.9487 74 D 4.3630 8.1158 116.2400 57.4055 40.9896 179.5326 75 C 4.4978 7.9305 115.6060 59.6554 40.8025 175.2170 76 D 4.4542 8.4120 119.2480 55.4695 40.9062 177.2081 77 R 3.9700 7.5757 119.8694 55.5882 30.5718 174.4552 78 P 3.6312 0.0000 0.0000 61.8460 31.8471 174.4089 79 P 4.7441 0.0000 0.0000 62.6789 32.9784 176.0921 80 K 4.3078 8.9619 121.4146 54.8119 34.0670 173.2217 81 H 4.7554 8.7643 126.4637 53.9151 31.7229 173.6517 82 S 4.4412 9.2311 122.4723 56.9504 64.2516 175.1448 83 Q 3.8966 8.3208 121.7977 58.7364 28.4702 178.3782 84 N 4.4864 7.8604 112.0735 51.7141 38.9397 174.1310 85 G 3.2608 8.4045 106.9166 46.1349 0.0000 174.7269 86 M 4.7774 7.5635 110.6308 55.5454 34.7894 175.8935 87 G 3.7418 8.3328 109.3322 44.9384 0.0000 175.4587 88 K 3.9620 8.7566 122.8465 58.8192 32.5859 176.9678 89 D 4.7301 7.8410 117.9513 55.2852 42.4170 176.4004 90 D 4.8973 7.7870 118.2874 55.4776 41.8001 177.2437 91 H 5.0192 9.7046 117.6445 56.2095 31.6553 172.1406 92 Y 5.1902 7.7131 120.7551 55.8243 41.8741 173.6024 93 L 4.9843 9.0591 118.6565 54.0363 44.0961 176.0474 94 L 5.4838 8.8338 120.6640 52.9133 45.9584 175.3555 95 E 5.2323 9.2800 120.5020 53.8568 32.5347 174.6878 96 F 5.0642 8.3919 123.3417 55.8883 43.1888 171.6158 97 P 4.2130 0.0000 0.0000 62.4368 31.5913 175.4984 98 T 4.4603 7.1625 115.9451 60.4615 70.7195 172.7351 99 F 5.3330 8.6262 124.0375 54.9133 43.1226 174.2131 100 P 4.3049 0.0000 0.0000 65.1573 31.0236 177.8427 101 D 4.4224 8.2166 114.3263 53.9317 39.3358 177.1747 102 G 4.0459 8.6475 108.6392 45.8427 0.0000 173.8598 103 H 4.3249 8.7165 115.6167 55.5419 29.1607 174.9323 104 D 4.7323 8.6993 121.7305 54.0645 41.1866 175.4403 105 Y 4.6870 9.0192 126.0520 57.7637 39.8881 176.8394 106 K 4.1475 8.8598 128.3988 54.4939 30.6229 177.4942 107 F 5.0173 8.2885 116.6261 58.7791 38.7636 176.1221 108 D 5.0935 6.4019 120.7540 52.2707 38.9975 177.6980 109 S 4.4327 7.5549 114.9547 57.3902 66.1116 174.4797 110 K 4.5742 8.5823 126.1224 55.3789 34.5555 175.2724 111 K 3.7053 8.8757 125.8195 56.6079 29.7103 171.1630 112 P 4.6390 0.0000 0.0000 60.9243 32.8969 176.3887 113 K 4.7895 8.3184 121.9001 54.7970 33.1449 175.6669 114 E 4.1544 8.0101 127.5419 55.2676 30.1081 175.7678 115 D 4.5065 8.9234 126.0636 54.3669 41.3739 174.2551 116 P 4.0517 0.0000 0.0000 62.6411 31.9582 177.6848 117 G 4.0543 7.9918 108.9768 44.5529 0.0000 171.1403 118 P 4.4270 0.0000 0.0000 63.8649 32.2552 175.3457 119 A 4.9139 7.4336 120.0182 50.4586 21.6223 175.8928 120 R 4.5813 8.1716 117.0284 54.4370 35.1988 174.5060 121 V 4.1870 8.5465 121.1081 60.0261 34.3174 174.7899 122 I 5.2209 8.5986 125.3271 59.2207 39.0019 174.2114 123 Y 5.6867 8.5805 124.7744 54.2611 41.8265 174.7782 124 T 4.7031 8.3374 109.8120 60.8970 71.6139 172.6985 125 Y 4.6007 8.2422 122.1094 55.2262 41.3139 173.8994 126 P 3.7949 0.0000 0.0000 62.5608 32.1774 176.0372 127 N 4.2879 7.8512 115.9797 54.0525 39.1741 174.5449 128 K 4.1821 7.3845 117.0745 57.3550 29.9951 175.8335 129 V 4.1284 8.3693 119.5143 61.4928 33.3362 175.6484 130 F 4.1750 9.0040 130.8946 59.4724 39.2184 174.5957 131 C 4.1704 8.3503 124.2845 56.9621 37.3702 174.3540 132 G 2.9162 5.3800 103.5268 45.1991 0.0000 170.5181 133 I 4.6575 5.6601 118.5870 58.3066 40.4328 175.5291 134 V 4.9410 7.8419 118.3689 59.8595 36.0119 173.9924 135 A 4.7893 8.2987 121.4001 51.2141 22.8342 175.8578 136 H 5.0861 8.6398 116.9601 55.8149 29.2954 176.1907 137 Q 4.1870 8.8273 119.5533 57.9522 30.3194 175.8444 138 R 4.6711 7.8714 120.6561 54.9195 32.2822 175.9141 139 G 4.1295 9.0588 117.6893 47.3221 0.0000 173.5266 140 N 5.1306 8.9429 117.0469 52.6336 39.1768 173.1467 141 Q 4.2960 7.6778 115.4539 54.7543 33.5956 175.7380 142 G 3.7318 8.5282 104.5518 44.9089 0.0000 171.2188 143 D 4.9154 8.3010 119.6085 52.4033 42.7565 174.9384 144 L 5.0804 8.4760 117.3679 53.3288 44.3064 176.5414 145 R 4.6729 8.7791 121.7048 53.7548 33.6649 174.7025 146 L 4.3149 8.6961 124.8284 56.4047 42.5105 176.9787 147 C 5.1759 9.5972 122.8905 55.5165 41.2564 173.2676 148 S 4.7461 8.5217 114.7806 57.8640 65.0311 174.3920 149 H 4.6106 7.6941 114.7433 56.1804 27.8201 173.2626 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 A 8.12 4.48 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 2 T 8.16 5.02 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 1.36 0.00 0.00 3 W 10.70 5.09 0.00 3.39 3.32 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 4 T 9.54 5.22 4.30 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 1.27 0.00 0.00 5 C 9.35 5.33 0.00 3.09 3.06 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 0.00 0.00 0.00 0.00 6 I 8.51 4.86 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.47 0.95 0.00 0.00 7 N 9.08 5.15 0.00 2.80 2.75 0.00 0.00 6.90 6.69 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 8 Q 9.55 4.76 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 9 Q 9.24 5.09 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 10 L 8.09 3.77 0.00 0.27 0.74 -0.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.70 4.30 0.00 2.86 2.60 0.00 0.00 6.86 7.30 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 12 P 0.00 4.14 0.00 2.02 2.05 0.00 3.66 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 1.98 2.04 0.00 13 K 8.14 4.12 0.00 1.83 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.34 7.81 14 T 8.10 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 15 N 7.87 4.03 0.00 2.77 2.84 0.00 0.00 6.99 6.81 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 16 K 7.47 4.62 0.00 1.93 2.01 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.42 7.81 17 W 8.78 5.19 0.00 3.18 3.23 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 18 E 8.92 4.82 0.00 2.06 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 2.36 2.28 0.00 19 D 8.93 4.81 0.00 2.63 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 20 K 9.11 4.61 0.00 1.96 1.75 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 21 R 8.65 4.64 0.00 1.85 1.86 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 22 L 9.23 4.71 0.00 1.78 1.27 1.06 0.43 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 23 L 8.18 5.26 0.00 1.54 1.55 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 24 Y 9.17 4.83 0.00 3.00 2.86 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 25 S 8.69 4.95 0.00 3.90 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 26 Q 9.26 3.70 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 27 A 7.93 3.84 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 28 K 8.10 3.96 0.00 2.01 1.92 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 29 A 8.19 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.97 3.75 0.00 2.07 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 0.00 2.12 1.96 0.00 31 S 7.96 4.13 0.00 3.90 4.08 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 32 N 8.21 5.05 0.00 2.96 3.10 0.00 0.00 6.97 7.82 0.00 0.00 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 S 7.49 3.54 0.00 2.72 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 34 H 7.68 4.31 0.00 3.38 3.32 0.00 5.63 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 35 H 8.20 4.19 0.00 3.36 3.47 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.77 4.11 0.30 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 37 P 0.00 4.16 0.00 2.05 1.92 0.00 2.35 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.00 38 L 8.09 4.47 0.00 1.64 1.68 0.94 0.94 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 39 S 7.61 4.78 0.00 3.99 3.83 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 40 D 8.42 4.70 0.00 2.60 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 41 G 9.41 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 0.00 0.00 0.00 42 K 8.13 4.54 0.00 1.76 1.80 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.64 7.81 43 T 7.87 4.84 4.89 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 1.42 0.00 0.00 44 G 9.07 4.08 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 45 S 8.80 4.37 0.00 4.38 4.44 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 46 S 8.63 4.56 0.00 4.07 4.52 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 47 Y 7.79 5.03 0.00 3.27 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 48 P 0.00 5.45 0.00 2.33 2.48 0.00 3.69 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 2.29 2.07 0.00 49 H 8.95 5.36 0.00 3.45 3.64 0.00 5.48 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 9.59 5.04 0.00 2.87 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 51 F 9.22 4.61 0.00 2.97 3.01 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 52 T 7.21 2.94 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 -0.24 0.00 0.00 53 N 7.71 3.65 0.00 2.84 2.92 0.00 0.00 7.30 8.19 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 54 G 8.07 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.26 5.26 0.00 2.95 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 56 D 9.18 4.92 0.00 2.97 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 57 G 8.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.73 4.33 0.00 3.05 2.88 0.00 0.00 6.96 7.01 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 59 G 7.28 3.25 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 0.00 60 K 8.07 4.26 0.00 1.95 2.34 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.55 7.81 61 L 8.65 4.71 0.00 1.83 1.60 0.52 1.03 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 62 I 8.32 3.83 1.77 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.85 0.00 0.00 63 K 8.81 3.58 0.00 1.69 1.73 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 64 G 9.14 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 0.00 0.00 0.00 65 R 7.47 4.58 0.00 1.68 1.61 0.00 3.23 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 66 T 7.98 4.40 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 1.16 0.00 0.00 67 P 0.00 4.59 0.00 2.00 1.90 0.00 3.61 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 68 I 9.04 3.64 1.38 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 1.40 0.89 0.17 0.00 0.00 69 K 8.10 4.45 0.00 1.66 1.69 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.40 7.81 70 F 9.80 4.36 0.00 3.28 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 71 G 9.33 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 0.00 0.00 0.00 72 K 8.24 4.56 0.00 1.83 1.68 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.50 7.81 73 A 8.85 3.93 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 74 D 8.12 4.36 0.00 2.65 2.76 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 75 C 7.93 4.50 0.00 3.23 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 76 D 8.41 4.45 0.00 2.74 2.85 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 77 R 7.58 3.97 0.00 2.00 1.87 0.00 3.28 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 78 P 0.00 3.63 0.00 1.89 1.40 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 79 P 0.00 4.74 0.00 2.25 2.34 0.00 3.11 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 2.15 2.35 0.00 80 K 8.96 4.31 0.00 1.68 1.30 0.00 1.41 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.49 7.81 81 H 8.76 4.76 0.00 1.71 2.02 0.00 5.79 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.23 4.44 0.00 3.69 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 83 Q 8.32 3.90 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 84 N 7.86 4.49 0.00 2.75 2.84 0.00 0.00 6.02 7.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 86 M 7.56 4.78 0.00 1.99 2.13 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 2.48 2.62 0.00 87 G 8.33 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 88 K 8.76 3.96 0.00 1.88 1.99 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 89 D 7.84 4.73 0.00 2.68 2.76 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 90 D 7.79 4.90 0.00 2.86 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 91 H 9.70 5.02 0.00 3.19 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.71 5.19 0.00 3.25 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 93 L 9.06 4.98 0.00 2.18 1.73 1.25 0.46 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 94 L 8.83 5.48 0.00 0.38 1.15 0.61 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.28 5.23 0.00 1.83 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 0.00 2.44 2.22 0.00 96 F 8.39 5.06 0.00 3.35 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 97 P 0.00 4.21 0.00 0.69 1.10 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 98 T 7.16 4.46 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 0.72 0.00 0.00 99 F 8.63 5.33 0.00 3.30 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 0.00 100 P 0.00 4.30 0.00 1.98 2.03 0.00 3.90 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.19 0.00 101 D 8.22 4.42 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 4.05 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 0.00 0.00 0.00 103 H 8.72 4.32 0.00 3.28 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.70 4.73 0.00 2.87 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 0.00 105 Y 9.02 4.69 0.00 2.94 2.76 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 0.00 106 K 8.86 4.15 0.00 1.67 1.48 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.22 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.26 7.81 107 F 8.29 5.02 0.00 3.99 4.08 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 0.00 108 D 6.40 5.09 0.00 2.24 2.42 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 0.00 109 S 7.55 4.43 0.00 3.82 3.81 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 0.00 110 K 8.58 4.57 0.00 1.85 1.72 0.00 2.08 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.34 1.44 7.81 111 K 8.88 3.71 0.00 1.87 1.78 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.48 7.81 112 P 0.00 4.64 0.00 2.22 2.03 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 113 K 8.32 4.79 0.00 1.81 1.83 0.00 1.70 0.00 0.00 2.61 0.00 0.00 3.23 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.66 7.81 114 E 8.01 4.15 0.00 1.85 1.56 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 2.40 2.20 0.00 115 D 8.92 4.51 0.00 2.75 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 0.00 116 P 0.00 4.05 0.00 1.71 1.69 0.00 4.06 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 117 G 7.99 4.05 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 0.00 0.00 0.00 118 P 0.00 4.43 0.00 2.28 2.53 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 119 A 7.43 4.91 0.74 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 0.00 120 R 8.17 4.58 0.00 1.35 1.46 0.00 2.87 0.00 0.00 2.63 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.46 0.00 121 V 8.55 4.19 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 0.87 0.00 0.00 0.92 0.00 0.00 122 I 8.60 5.22 1.26 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.07 0.22 0.00 0.00 123 Y 8.58 5.69 0.00 2.98 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 0.00 124 T 8.34 4.70 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 1.24 0.00 0.00 125 Y 8.24 4.60 0.00 2.43 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 0.00 0.00 0.00 126 P 0.00 3.79 0.00 1.71 0.94 0.00 3.59 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 127 N 7.85 4.29 0.00 2.69 2.88 0.00 0.00 7.02 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 0.00 128 K 7.38 4.18 0.00 1.90 1.87 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.44 7.81 129 V 8.37 4.13 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 0.94 0.00 0.00 0.93 0.00 0.00 130 F 9.00 4.17 0.00 3.02 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 0.00 131 C 8.35 4.17 0.00 1.84 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 0.00 132 G 5.38 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 0.00 0.00 0.00 133 I 5.66 4.66 1.39 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.82 0.51 0.00 0.00 134 V 7.84 4.94 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 0.84 0.00 0.00 0.60 0.00 0.00 135 A 8.30 4.79 1.17 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 0.00 0.00 136 H 8.64 5.09 0.00 3.20 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.83 4.19 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 138 R 7.87 4.67 0.00 1.48 1.50 0.00 2.56 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.58 0.00 139 G 9.06 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 0.00 140 N 8.94 5.13 0.00 2.73 2.85 0.00 0.00 6.52 7.69 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 0.00 141 Q 7.68 4.30 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.41 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 142 G 8.53 3.73 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 0.00 0.00 0.00 143 D 8.30 4.92 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 0.00 144 L 8.48 5.08 0.00 1.64 1.51 1.05 0.44 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 0.00 145 R 8.78 4.67 0.00 1.69 1.78 0.00 3.36 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 146 L 8.70 4.31 0.00 1.53 1.60 1.27 0.90 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 0.00 147 C 9.60 5.18 0.00 3.36 3.38 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 0.00 148 S 8.52 4.75 0.00 3.84 3.93 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 0.00 149 H 7.69 4.61 0.00 2.52 1.31 0.00 5.16 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