NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1610 8.1727 122.0485 56.2629 34.0606 173.9554 2 R 4.8253 8.3890 127.8861 54.0113 31.0049 174.7130 3 F 4.4129 9.9416 127.2785 57.7067 40.3393 174.8189 4 E 4.2778 9.0640 120.9660 55.5200 31.0691 176.7369 5 R 3.4053 9.0521 120.5536 61.0118 29.9359 179.4137 6 C 4.3435 8.0228 115.2784 59.6950 36.1585 175.6387 7 E 3.8880 8.1524 120.7219 59.2863 29.2651 178.5888 8 L 3.5720 8.0052 120.0290 57.8181 42.1002 178.4905 9 A 3.9441 7.8398 120.7600 55.5118 18.1968 179.9250 10 R 3.9283 8.0201 116.3541 59.4072 30.0754 179.3522 11 T 3.8406 7.7246 115.5787 66.6662 68.5483 176.6503 12 L 3.8239 8.2307 121.1451 57.5183 41.6148 179.4465 13 K 3.9078 8.0434 119.5575 59.7078 31.9322 179.1223 14 R 4.0043 8.0932 117.3879 58.7739 29.9989 178.0506 15 L 4.3722 7.3387 116.0914 54.3695 41.7007 177.1907 16 G 3.8828 7.7624 106.9671 46.5479 0.0000 175.0385 17 M 3.9133 7.8152 121.5874 56.7748 32.2762 175.5509 18 D 4.6383 8.0056 117.4067 56.1084 40.8843 175.5693 19 G 3.9305 9.5609 115.7544 45.4939 0.0000 171.0748 20 Y 4.2089 8.3950 121.9907 58.4903 38.8795 176.3185 21 R 3.4680 9.0163 127.0851 57.2948 27.7069 177.3734 22 G 3.8280 8.1730 104.1977 45.5239 0.0000 174.0742 23 I 4.0792 7.4653 122.1123 59.2092 37.9993 175.8949 24 S 4.6456 8.3387 120.3232 57.6788 63.9234 174.9075 25 L 4.2292 8.8086 122.8268 58.5529 41.6449 179.2321 26 A 4.1388 8.1772 120.1462 55.4362 18.3109 179.2263 27 N 4.4547 8.1891 114.4605 56.3047 38.5694 177.7597 28 W 4.3067 8.0977 119.9658 59.8903 29.1323 178.3687 29 M 4.1013 8.5234 118.9840 58.6533 31.4995 177.9437 30 C 3.2159 8.1811 118.7435 59.0759 42.9309 175.4090 31 L 3.9629 8.1071 121.7237 58.2302 41.7585 178.7718 32 A 4.1492 8.2894 120.7725 54.9494 18.4181 179.3934 33 K 2.9513 8.3432 118.3942 59.4235 32.0415 179.1004 34 W 4.2135 7.6388 117.1201 59.0820 29.0750 178.4396 35 E 4.3414 8.4588 118.9461 58.7116 29.0339 177.7934 36 S 4.5251 7.9998 109.3855 56.6220 64.6456 174.5053 37 G 3.2408 8.1983 108.4816 47.0306 0.0000 173.7228 38 Y 3.6923 7.8306 113.6757 58.4251 35.1216 168.2473 39 N 5.3014 7.5951 119.5027 52.0243 39.7046 175.9380 40 T 4.0202 8.9833 117.7737 64.3001 69.0873 175.9533 41 R 4.3873 8.1658 119.1096 55.8056 30.6046 176.2335 42 A 4.3629 7.6738 122.3792 52.5051 19.3797 177.1606 43 T 5.6211 8.1829 110.4445 60.1063 72.3346 172.8313 44 N 4.9097 8.4271 121.6151 52.1366 42.4791 172.2193 45 Y 4.7105 8.7366 127.9243 57.3500 40.8286 173.7938 46 N 4.7791 8.5044 124.6635 51.1456 39.0534 175.3078 47 A 3.5020 8.1572 127.6679 54.5980 19.0344 179.2470 48 G 3.6964 8.0946 104.4490 48.2328 0.0000 174.0497 49 D 4.7657 7.7508 115.7432 51.7771 39.8664 175.7305 50 R 3.9193 7.9036 116.3881 56.9003 28.2693 175.6384 51 S 5.0383 7.7905 109.6327 56.8816 67.1799 172.8239 52 T 5.1618 9.1410 116.2207 61.9770 72.7513 172.8252 53 D 5.4213 9.1148 125.5933 53.4010 42.8074 175.1323 54 Y 5.0388 9.2763 121.3712 57.3702 41.6124 177.7458 55 G 4.6491 8.8523 111.1633 45.6568 0.0000 173.7410 56 I 4.0622 8.2501 116.8667 62.9269 37.9099 177.3503 57 F 4.7338 7.9839 115.7030 56.4419 39.8893 175.3831 58 Q 3.4783 7.8830 118.9463 57.0373 26.5206 173.6308 59 I 4.4866 8.4321 119.3370 60.6523 39.4704 176.5872 60 N 5.3821 9.1865 126.1357 53.4212 39.6719 175.8116 61 S 4.6593 9.1262 120.7985 60.4720 63.2946 175.5277 62 R 3.7521 8.6934 122.0457 58.7314 30.3333 177.8182 63 Y 4.2110 7.8569 114.5517 58.2143 40.6914 177.2722 64 W 4.7373 8.2827 119.1454 57.8656 29.8303 173.7426 65 C 5.9176 7.8789 110.0391 52.3965 44.9124 171.8036 66 N 5.1381 8.9139 119.8030 52.1592 39.6100 174.8621 67 D 4.8115 8.5094 122.8592 52.1261 40.4130 176.4782 68 G 3.9524 8.7093 107.3017 46.2901 0.0000 174.2777 69 K 4.5344 8.3040 115.5179 56.2196 33.5318 175.8297 70 T 4.6050 7.7511 117.0423 61.2459 69.5493 172.0874 71 P 4.2705 0.0000 0.0000 64.0486 31.6210 176.3281 72 G 3.8821 8.8032 110.3134 46.3507 0.0000 173.1638 73 A 4.3222 7.4940 120.0000 51.4047 19.5258 177.7670 74 V 4.2773 8.4777 112.5794 59.4262 35.4067 176.2056 75 N 4.9324 8.0857 117.9602 51.8919 37.8184 174.3769 76 A 3.9650 9.0843 125.5274 54.6950 19.0717 178.4129 77 C 4.6298 8.5871 110.9189 57.0576 40.9376 173.0647 78 H 4.0688 7.6698 116.2141 56.9572 26.5756 174.4109 79 L 4.8756 7.5410 116.4578 52.7404 46.0018 176.5831 80 S 4.6453 8.3393 115.6768 57.9546 63.2977 175.9814 81 C 4.0421 8.7640 124.4690 59.5015 39.1616 176.3897 82 S 3.9401 7.7748 114.6979 61.2385 61.6993 175.8467 83 A 4.0272 7.9275 122.5980 54.4346 18.1115 177.9404 84 L 4.4772 7.7046 116.2356 54.9993 41.8627 177.5497 85 L 5.0291 8.0158 117.6920 54.5522 42.2872 176.6473 86 Q 4.4011 7.8500 117.6586 55.2059 29.6554 175.9433 87 D 4.3978 8.5578 120.2147 57.0802 41.1385 176.6952 88 N 4.6176 8.0316 118.1920 53.0935 39.3034 174.7005 89 I 4.2389 8.4466 118.7094 60.9718 38.0719 176.9767 90 A 3.9404 8.0412 124.4318 55.9921 18.1738 180.0068 91 D 4.3036 8.0876 116.4334 57.4457 40.8830 178.7224 92 A 4.1241 7.9839 120.8829 55.1495 18.4438 179.7288 93 V 3.3951 8.2802 117.0848 65.9209 31.6436 178.1576 94 A 3.8506 7.9963 120.6741 55.1475 18.0775 178.8536 95 C 4.2118 8.1953 116.9178 59.7171 39.5856 175.6546 96 A 3.8321 8.1885 122.7421 54.9464 17.5405 179.8298 97 K 3.7725 7.6048 116.5101 59.3886 32.3265 179.2119 98 R 4.0735 7.7398 118.9106 59.2729 30.1211 178.6154 99 V 2.4555 7.5961 118.2535 65.8047 31.3105 178.0531 100 V 3.9291 7.7515 110.0694 62.7034 31.3295 177.7157 101 R 4.3632 7.5893 116.7848 56.4611 30.3412 176.1336 102 D 4.7996 7.4646 119.8008 52.1883 42.1737 175.3643 103 P 4.2462 0.0000 0.0000 66.3280 30.8152 177.8687 104 Q 4.0209 8.0957 117.4211 56.4619 30.0358 176.8198 105 G 4.0652 7.7991 106.6004 46.5204 0.0000 175.5475 106 I 3.5042 7.7474 119.7856 63.3145 37.9549 178.0002 107 R 4.2111 7.1362 117.2968 57.8657 30.0641 177.3568 108 A 4.0637 7.7930 121.2583 54.4244 18.5659 177.7228 109 W 4.6331 8.0806 116.9059 55.4834 29.5790 177.4345 110 V 3.7471 8.7594 123.9207 66.0800 30.7957 177.6538 111 A 4.0402 8.2895 120.1683 54.7337 18.2094 179.2433 112 W 3.9758 8.4421 127.1010 60.5441 30.4813 178.4463 113 R 3.7740 8.2839 117.5452 59.4092 29.4133 178.6612 114 N 4.2336 8.1279 114.8179 55.6529 38.6768 176.8184 115 R 4.0858 7.8384 116.0987 55.9554 31.4859 176.1070 116 C 4.5381 7.8301 115.2129 57.5137 42.9121 174.4414 117 Q 3.2062 5.9098 117.1599 57.1033 28.7366 175.4009 118 N 4.1411 8.5325 121.4812 54.4833 36.3348 173.6894 119 R 4.4892 7.3419 114.4517 54.2630 33.2938 175.7588 120 D 4.6146 8.3777 118.6890 53.6397 40.1099 175.8702 121 V 4.5606 8.0583 118.1801 61.1900 32.6922 178.3281 122 R 4.0221 7.8939 120.7736 59.4662 29.3031 178.3933 123 Q 3.9536 8.2172 116.7785 59.9637 27.8658 178.7977 124 Y 4.3434 7.9763 117.1721 59.8327 38.0317 177.0808 125 V 4.4246 7.7679 111.0761 60.7352 32.8702 175.2981 126 Q 4.1134 7.7177 119.9711 57.0963 28.7803 176.8517 127 G 3.9380 8.9105 110.2650 46.1037 0.0000 174.4761 128 C 4.4717 7.9938 115.8059 56.3218 40.6650 173.8489 129 G 3.8697 8.0466 107.2580 46.8929 0.0000 174.2258 130 V 4.0029 7.9211 117.8986 61.0746 32.0143 175.9607 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 K 8.17 4.16 0.00 2.01 1.63 0.00 1.25 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.14 7.81 2 R 8.39 4.83 0.00 1.94 1.83 0.00 3.43 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 3 F 9.94 4.41 0.00 2.82 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 4 E 9.06 4.28 0.00 1.96 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 2.32 2.25 0.00 5 R 9.05 3.41 0.00 2.01 1.94 0.00 3.40 0.00 0.00 3.47 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 6 C 8.02 4.34 0.00 3.01 3.12 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 7 E 8.15 3.89 0.00 2.06 2.25 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 2.49 2.40 0.00 8 L 8.01 3.57 0.00 1.37 1.36 -0.19 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.94 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 10 R 8.02 3.93 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.72 3.84 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 1.20 0.00 0.00 12 L 8.23 3.82 0.00 1.69 1.56 0.88 0.44 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 13 K 8.04 3.91 0.00 1.96 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.09 4.00 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 15 L 7.34 4.37 0.00 1.59 1.56 0.87 1.29 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 16 G 7.76 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 0.00 0.00 0.00 17 M 7.82 3.91 0.00 1.31 1.95 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 18 D 8.01 4.64 0.00 2.68 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 19 G 9.56 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 0.00 0.00 0.00 20 Y 8.39 4.21 0.00 3.38 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.02 3.47 0.00 1.91 1.85 0.00 3.33 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 22 G 8.17 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 0.00 0.00 0.00 23 I 7.47 4.08 1.72 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.70 -0.16 0.00 0.00 24 S 8.34 4.65 0.00 4.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.81 4.23 0.00 2.12 1.82 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.45 0.00 2.86 2.81 0.00 0.00 7.01 7.80 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 28 W 8.10 4.31 0.00 3.54 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 29 M 8.52 4.10 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.91 0.00 30 C 8.18 3.22 0.00 2.68 3.19 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 31 L 8.11 3.96 0.00 1.91 1.90 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.29 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.34 2.95 0.00 1.66 1.58 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.70 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.20 0.45 7.81 34 W 7.64 4.21 0.00 3.48 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 35 E 8.46 4.34 0.00 2.03 2.10 0.00 0.00 0.00 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 2.55 0.00 36 S 8.00 4.53 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.20 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.83 3.69 0.00 3.26 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 39 N 7.60 5.30 0.00 2.82 2.85 0.00 0.00 6.99 6.88 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 40 T 8.98 4.02 4.46 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 1.46 0.00 0.00 41 R 8.17 4.39 0.00 2.00 2.02 0.00 3.18 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 42 A 7.67 4.36 1.33 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 0.00 0.00 43 T 8.18 5.62 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 1.23 0.00 0.00 44 N 8.43 4.91 0.00 2.91 2.87 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.74 4.71 0.00 3.01 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 46 N 8.50 4.78 0.00 2.66 2.60 0.00 0.00 6.60 7.67 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 47 A 8.16 3.50 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.09 3.70 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 0.00 0.00 0.00 49 D 7.75 4.77 0.00 2.71 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 50 R 7.90 3.92 0.00 2.03 2.16 0.00 3.09 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 51 S 7.79 5.04 0.00 3.88 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 52 T 9.14 5.16 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 0.75 0.00 0.00 53 D 9.11 5.42 0.00 2.70 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 54 Y 9.28 5.04 0.00 2.93 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 55 G 8.85 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 0.00 0.00 0.00 0.00 56 I 8.25 4.06 1.69 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.74 0.07 0.00 0.00 57 F 7.98 4.73 0.00 3.22 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 58 Q 7.88 3.48 0.00 2.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.80 0.00 59 I 8.43 4.49 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 1.11 0.00 0.00 60 N 9.19 5.38 0.00 3.10 3.06 0.00 0.00 6.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.13 4.66 0.00 4.06 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 0.00 62 R 8.69 3.75 0.00 1.61 1.45 0.00 2.58 0.00 0.00 2.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 63 Y 7.86 4.21 0.00 1.69 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 0.00 0.00 0.00 64 W 8.28 4.74 0.00 3.62 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 65 C 7.88 5.92 0.00 3.16 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 66 N 8.91 5.14 0.00 2.78 2.70 0.00 0.00 7.05 9.17 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 67 D 8.51 4.81 0.00 2.84 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 68 G 8.71 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.30 4.53 0.00 1.89 1.86 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.45 7.81 70 T 7.75 4.61 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 1.22 0.00 0.00 71 P 0.00 4.27 0.00 2.01 2.01 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.80 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 0.00 0.00 0.00 73 A 7.49 4.32 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.48 4.28 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 0.62 0.00 0.00 0.89 0.00 0.00 75 N 8.09 4.93 0.00 2.76 2.57 0.00 0.00 6.76 8.73 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 76 A 9.08 3.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.59 4.63 0.00 3.28 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 78 H 7.67 4.07 0.00 3.31 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.54 4.88 0.00 1.68 1.51 1.01 0.80 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 80 S 8.34 4.65 0.00 3.83 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 81 C 8.76 4.04 0.00 2.19 1.23 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 82 S 7.77 3.94 0.00 3.86 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 83 A 7.93 4.03 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 84 L 7.70 4.48 0.00 1.94 1.83 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.02 5.03 0.00 1.78 1.71 1.13 1.24 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 86 Q 7.85 4.40 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 87 D 8.56 4.40 0.00 2.61 2.64 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 88 N 8.03 4.62 0.00 2.69 2.75 0.00 0.00 6.94 7.94 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 89 I 8.45 4.24 1.76 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.90 0.00 0.00 90 A 8.04 3.94 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 91 D 8.09 4.30 0.00 2.75 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 92 A 7.98 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.28 3.40 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 0.66 0.00 0.00 0.88 0.00 0.00 94 A 8.00 3.85 1.34 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 0.00 0.00 0.00 95 C 8.20 4.21 0.00 3.17 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 96 A 8.19 3.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.60 3.77 0.00 1.63 1.49 0.00 1.30 0.00 0.00 1.03 0.00 0.00 2.28 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.78 7.81 98 R 7.74 4.07 0.00 2.00 2.13 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 99 V 7.60 2.46 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 -0.26 0.00 0.00 -0.60 0.00 0.00 100 V 7.75 3.93 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 1.17 0.00 0.00 1.44 0.00 0.00 101 R 7.59 4.36 0.00 2.05 2.04 0.00 3.23 0.00 0.00 3.39 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.15 0.00 102 D 7.46 4.80 0.00 3.06 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.25 0.00 2.15 2.20 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 104 Q 8.10 4.02 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.66 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 105 G 7.80 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 0.00 106 I 7.75 3.50 0.97 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 -0.76 0.00 0.00 107 R 7.14 4.21 0.00 2.04 2.03 0.00 3.21 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 108 A 7.79 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.08 4.63 0.00 3.57 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 0.00 110 V 8.76 3.75 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 1.17 0.00 0.00 1.00 0.00 0.00 111 A 8.29 4.04 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 0.00 112 W 8.44 3.98 0.00 3.49 3.52 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 0.00 113 R 8.28 3.77 0.00 2.10 2.00 0.00 3.27 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 114 N 8.13 4.23 0.00 2.65 2.71 0.00 0.00 6.98 7.32 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 0.00 115 R 7.84 4.09 0.00 1.23 0.67 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.09 0.00 116 C 7.83 4.54 0.00 1.44 2.61 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 0.00 117 Q 5.91 3.21 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 118 N 8.53 4.14 0.00 2.78 2.80 0.00 0.00 6.88 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 0.00 119 R 7.34 4.49 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 120 D 8.38 4.61 0.00 2.63 2.61 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 0.00 121 V 8.06 4.56 2.43 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 0.93 0.00 0.00 1.06 0.00 0.00 122 R 7.89 4.02 0.00 2.13 2.02 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.22 3.95 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.30 1.61 0.00 124 Y 7.98 4.34 0.00 3.21 3.15 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 0.00 125 V 7.77 4.42 2.14 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 1.16 0.00 0.00 1.06 0.00 0.00 126 Q 7.72 4.11 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 127 G 8.91 3.94 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 0.00 0.00 0.00 128 C 7.99 4.47 0.00 3.04 3.14 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 0.00 129 G 8.05 3.87 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 0.00 130 V 7.92 4.00 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 0.81 0.00 0.00 0.96 0.00 0.00