NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2651 8.3031 122.0176 56.3892 33.1705 175.1980 3 G 3.7717 8.4477 116.9995 44.4252 0.0000 169.7352 4 D 4.5720 8.6543 119.6186 53.5674 42.4453 175.6108 5 K 3.7791 9.0953 127.0576 60.0965 32.1512 178.7709 6 K 4.0215 7.8892 117.5643 58.8480 31.8032 179.7381 7 V 3.5322 7.6132 118.5577 65.9945 31.5624 177.8836 8 I 3.6843 8.0771 120.0302 64.4432 36.9452 178.2363 9 Q 3.9517 8.0720 120.4174 59.2588 28.7816 177.8930 10 H 4.1065 8.0842 117.1461 58.9008 28.8224 177.5188 11 L 3.9907 8.1935 120.9590 58.2232 41.5023 179.5417 12 N 4.5225 8.5644 116.4311 56.0996 38.3600 177.3544 13 K 3.9966 7.9619 121.0975 59.2345 32.2348 179.0544 14 I 3.7616 8.1189 120.8163 63.9372 36.9077 177.9014 15 L 4.0182 8.4767 121.8588 58.2744 42.0329 179.0507 16 G 3.7785 8.1767 105.5240 48.2477 0.0000 175.2527 17 N 4.3780 8.0254 118.2502 55.9967 38.4571 177.4153 18 E 3.9627 8.2933 120.0737 59.4561 29.6393 179.4004 19 L 3.9381 8.2052 119.2682 57.7612 41.6246 179.7247 20 I 3.7341 7.6839 119.3124 64.3046 37.0090 178.3846 21 A 3.3366 7.7701 121.6255 54.6505 18.0897 179.5658 22 I 3.5962 7.7929 118.6872 64.8705 37.2099 178.4370 23 N 4.4093 7.6639 115.6716 56.1176 38.2762 177.4352 24 Q 3.8601 7.9397 121.0093 59.5373 29.2241 177.9689 25 Y 4.7082 7.9961 119.1453 60.3580 37.9825 177.9441 26 F 4.0623 8.4759 121.9662 60.9293 39.4639 177.1079 27 L 3.9874 8.3167 120.1477 58.4863 41.9026 178.4075 28 H 3.8483 8.3275 116.4663 58.9028 28.5432 177.2612 29 S 4.3614 8.6646 115.0194 62.0505 62.1273 176.7862 30 R 3.8295 7.7643 119.8624 59.0181 29.7203 179.1307 31 M 3.4326 7.8876 118.9519 57.9064 31.8601 178.7223 32 W 4.5421 8.1211 119.4073 59.9623 29.2555 178.3482 33 N 4.4180 8.5650 116.7656 56.3910 37.7355 176.9692 34 D 4.3463 7.9674 118.6445 56.8952 41.3935 177.5140 35 W 4.8299 7.9068 116.6137 56.6326 29.2505 177.1625 36 G 4.0043 8.0753 107.2218 46.0224 0.0000 175.2459 37 L 4.5623 7.9339 122.3734 53.5452 40.2030 177.4232 38 K 4.0733 8.6279 121.7999 58.6347 32.4946 178.9304 39 R 3.8873 7.9848 119.6207 59.1927 29.9971 178.4949 40 L 3.7522 7.6962 118.5229 57.4930 41.5615 179.4069 41 G 3.7986 8.2677 105.6297 47.9616 0.0000 175.6012 42 A 4.0769 8.3938 123.7587 55.0478 18.3796 179.2688 43 H 3.9587 8.2906 116.9357 59.2778 29.4219 177.1996 44 E 3.9851 8.4682 121.3090 59.1138 29.4018 178.0056 45 Y 4.0910 8.1015 119.8425 61.0323 38.8480 177.6018 46 H 3.8829 8.2871 118.9897 59.3058 29.8820 176.9504 47 E 3.8095 8.2132 120.2507 59.2958 29.2598 178.9515 48 S 4.2016 8.4699 113.5571 61.7900 62.4198 176.2089 49 I 3.5516 7.6851 122.3964 64.5196 36.8351 177.8170 50 D 4.2753 7.9559 119.4816 57.7524 40.6325 179.1577 51 E 4.0697 8.0554 118.6402 59.5521 29.4598 179.1663 52 M 4.0193 8.1241 118.8030 58.5340 32.1230 179.0384 53 K 4.0323 8.1686 118.4706 59.5635 32.1355 179.2334 54 H 4.2654 8.2309 116.4697 58.6631 28.5461 177.3898 55 A 3.9919 8.3052 123.0092 55.3996 18.2216 179.0517 56 D 4.2652 8.1264 116.1864 57.5389 41.3586 178.5842 57 K 3.9605 7.9609 118.5763 59.4691 31.9778 179.3328 58 L 3.9747 8.0909 119.0583 57.8570 41.6173 179.3082 59 I 3.6957 7.9556 120.0220 64.7356 37.0986 178.2113 60 E 4.0087 8.2713 118.9957 59.4275 29.2524 179.5311 61 R 4.0097 7.9917 118.4669 59.5169 30.1587 178.5300 62 I 3.7456 8.0427 119.8528 64.5358 37.1490 178.4818 63 L 4.0627 8.0815 119.7855 57.6597 41.2071 179.3275 64 F 4.2870 8.1883 119.9966 60.9904 39.5239 176.3496 65 L 3.9905 8.2502 116.8758 54.1606 41.0704 177.0143 66 E 3.8191 7.6963 117.1492 57.4119 27.1608 174.7364 67 G 3.8993 8.1628 108.4159 44.1937 0.0000 173.7759 68 L 4.5585 7.9905 118.8668 52.0159 42.4633 175.2066 69 P 4.4206 0.0000 0.0000 62.3572 31.8387 176.1748 70 N 4.6948 9.0537 122.0480 52.3716 38.4592 173.9579 71 L 4.5378 8.2049 123.6955 54.4649 42.3866 177.6795 72 Q 4.0709 8.4675 121.8435 58.2212 29.2733 175.8516 73 D 4.6183 8.1028 117.5128 52.8002 41.7366 175.2481 74 L 4.5441 8.3421 126.1721 52.8845 43.6812 176.5366 75 G 3.7975 8.3192 116.8165 44.7483 0.0000 171.1992 76 K 4.1636 8.3954 121.6129 55.2306 32.3339 177.4139 77 L 3.9759 8.4486 127.2320 54.7913 42.0227 176.9025 78 L 4.4491 8.8407 124.5794 53.3806 41.2697 175.6745 79 I 4.3952 8.1599 124.7589 59.2510 38.7466 176.5913 80 G 4.0117 8.7221 114.5446 44.9214 0.0000 172.7334 81 E 4.5865 8.8023 117.8545 56.6893 30.7931 176.1843 82 N 4.9493 7.6098 115.5056 50.5706 41.8533 174.9069 83 T 4.3269 8.4652 113.7352 65.4880 67.5233 175.5791 84 Q 4.0133 8.1441 121.1039 59.3251 29.1572 178.0028 85 E 4.0823 8.7357 119.6197 59.3845 29.4882 179.2404 86 M 3.9454 8.1641 118.9548 58.2544 31.8926 178.7791 87 L 4.1433 8.1876 119.1477 57.8846 41.8566 179.2973 88 Q 3.9726 7.9804 119.0013 59.4342 28.9897 178.1468 89 C 4.2267 8.7357 118.0276 62.9213 28.1598 175.7414 90 D 4.6990 8.3357 120.4590 57.3785 40.4662 178.6677 91 L 3.9813 8.2491 120.7993 58.3460 42.0334 178.4331 92 N 4.3145 8.6688 116.7898 56.6234 38.5338 177.1318 93 L 4.0363 8.1187 121.3393 58.1973 42.1844 178.7942 94 E 4.1256 8.8466 119.0775 59.4724 29.4864 179.3780 95 L 4.0557 8.1536 119.1366 57.4762 41.6622 179.4593 96 K 3.9692 7.9932 119.7007 59.4290 32.1750 178.7878 97 A 4.0414 8.0282 121.1717 55.4348 18.2731 179.5318 98 T 3.8942 8.2001 111.7420 64.8305 67.4100 176.6197 99 K 3.9407 8.0172 121.5509 59.6550 32.3160 178.5822 100 D 4.4077 8.2325 119.1376 57.2117 40.7212 178.6039 101 L 3.9802 8.0654 119.5357 58.0648 41.6718 179.8828 102 R 3.9555 8.0210 117.7792 59.3235 30.1172 178.9968 103 E 3.9765 8.1232 117.7433 59.3442 29.4456 179.3297 104 A 3.6098 7.9721 120.7735 54.8208 18.3279 179.7489 105 I 3.6048 7.8204 118.4040 64.4744 37.1838 178.6131 106 V 3.5610 7.6636 119.0217 66.3752 31.4149 177.4736 107 H 3.9804 8.0051 117.3298 59.4744 29.6850 176.8190 108 C 4.0257 8.5228 118.8742 62.7508 27.8591 175.6479 109 E 3.8601 8.4259 121.0134 59.5061 29.0505 178.4317 110 Q 3.9290 7.8609 118.0037 58.9096 29.0101 178.1754 111 V 4.0221 7.2298 109.7998 60.3983 32.0115 175.4148 112 H 3.0480 7.6639 114.1157 56.8273 26.8857 176.2782 113 D 4.4954 7.3254 120.1247 53.6507 38.7361 175.2237 114 Y 4.2777 7.5504 121.9230 60.1870 38.4118 177.3855 115 V 3.6744 7.8199 119.1843 65.9319 31.6983 178.1321 116 S 4.1467 8.2765 114.6610 61.3606 62.5971 176.4030 117 R 3.8736 7.9344 121.4319 59.6125 29.8516 177.8912 118 D 4.3428 8.3117 117.7453 57.2812 41.1621 177.9314 119 L 3.9470 7.9460 120.6684 58.3817 42.0396 179.0960 120 L 4.0386 8.1292 118.8516 57.5950 41.4794 179.6512 121 K 3.9882 8.4989 119.0593 59.4578 31.9874 179.0780 122 D 4.3590 8.1891 119.1861 57.4894 40.6808 178.9646 123 I 3.5388 7.7224 120.3152 64.0952 36.9629 178.2155 124 L 3.9166 8.2085 121.6174 58.0443 41.8900 178.6703 125 E 3.8975 8.3247 119.2965 59.4238 29.6429 178.7681 126 S 4.2404 8.0099 113.0886 61.4621 62.3272 175.9973 127 E 4.0415 8.3889 121.5347 59.3158 29.1957 179.1283 128 E 4.0128 8.6000 119.0826 59.2750 29.4673 179.1854 129 E 4.0874 8.1735 118.9477 59.5446 29.4597 179.0567 130 H 4.4324 8.2949 116.4546 59.0012 28.7147 177.8814 131 I 3.7988 8.2086 121.9782 64.2596 36.8789 178.0239 132 D 4.2855 8.2900 118.8972 57.4703 41.1302 177.3239 133 Y 4.1364 8.1197 120.0541 61.0407 38.7177 178.4680 134 L 3.5785 7.9336 119.4482 57.6028 41.7155 179.2410 135 E 3.9074 8.4280 118.8982 59.7180 29.3764 179.4913 136 T 3.7735 7.9144 115.7085 66.7040 68.4891 176.7207 137 Q 3.7110 7.6634 119.8298 58.8199 28.5538 178.6584 138 L 3.8948 7.7221 120.1339 57.7030 41.5258 179.9176 139 G 3.5274 8.1195 105.8598 47.7083 0.0000 175.8665 140 L 4.0032 7.8499 121.3091 57.4382 41.4574 179.6178 141 I 3.6412 7.4550 119.9707 64.2759 36.7283 178.4363 142 Q 3.9693 7.4861 118.0239 58.9857 28.6320 178.7379 143 K 4.1533 8.0389 118.4333 58.6254 32.3056 178.9317 144 V 4.1921 8.3185 110.2390 59.8351 32.9248 176.9344 145 G 4.1134 7.4791 105.6769 45.8379 0.0000 174.3192 146 L 3.9645 8.5615 122.5697 58.2954 42.1595 179.4399 147 E 4.0179 8.1713 117.8270 59.5158 29.4358 179.0537 148 N 4.3534 8.1162 116.0716 56.2725 38.4782 176.4961 149 Y 4.0398 7.9592 119.9935 60.9431 39.1944 178.1431 150 L 4.0564 8.1211 119.7295 57.6589 41.5789 179.1992 151 Q 3.9324 8.1473 119.6345 59.1481 28.8009 177.9548 152 S 4.3111 7.8321 113.6083 59.7456 63.2208 174.3855 153 H 4.6305 7.4778 118.5694 55.6879 29.4195 176.0623 154 M 4.0791 7.8208 121.4984 58.3990 31.9516 175.9190 155 H 5.1509 7.5393 114.3486 54.0441 30.8241 175.0472 156 E 4.1414 8.6433 121.0697 56.7814 29.3729 176.8078 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 2 K 8.30 4.27 0.00 2.10 1.75 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.03 7.81 3 G 8.45 3.77 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 0.00 0.00 0.00 4 D 8.65 4.57 0.00 2.79 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 5 K 9.10 3.78 0.00 1.83 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 6 K 7.89 4.02 0.00 1.91 1.65 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 7 V 7.61 3.53 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 1.18 0.00 0.00 0.93 0.00 0.00 8 I 8.08 3.68 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.46 0.89 0.00 0.00 9 Q 8.07 3.95 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 10 H 8.08 4.11 0.00 3.49 3.28 0.00 5.69 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 11 L 8.19 3.99 0.00 1.82 1.74 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.56 4.52 0.00 2.80 2.86 0.00 0.00 6.73 7.33 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 13 K 7.96 4.00 0.00 1.93 1.96 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.12 3.76 1.98 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 1.62 0.70 0.92 0.00 0.00 15 L 8.48 4.02 0.00 1.80 1.86 0.92 1.08 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 16 G 8.18 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 17 N 8.03 4.38 0.00 2.98 2.89 0.00 0.00 7.06 8.61 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 18 E 8.29 3.96 0.00 2.13 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 2.59 2.53 0.00 19 L 8.21 3.94 0.00 1.78 1.68 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.68 3.73 1.95 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 1.42 0.91 0.88 0.00 0.00 21 A 7.77 3.34 0.98 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 22 I 7.79 3.60 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 0.87 0.00 0.00 23 N 7.66 4.41 0.00 2.81 2.83 0.00 0.00 6.73 7.79 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 24 Q 7.94 3.86 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 25 Y 8.00 4.71 0.00 3.07 3.08 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 26 F 8.48 4.06 0.00 3.39 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 27 L 8.32 3.99 0.00 1.91 1.85 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.33 3.85 0.00 3.52 3.00 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.66 4.36 0.00 4.01 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.76 3.83 0.00 1.90 1.88 0.00 2.93 0.00 0.00 2.48 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 31 M 7.89 3.43 0.00 0.76 1.61 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 32 W 8.12 4.54 0.00 3.76 3.34 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 33 N 8.56 4.42 0.00 2.85 2.85 0.00 0.00 6.67 8.87 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 34 D 7.97 4.35 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.91 4.83 0.00 3.73 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 36 G 8.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.93 4.56 0.00 2.17 1.64 1.28 0.87 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 38 K 8.63 4.07 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 39 R 7.98 3.89 0.00 1.87 1.89 0.00 3.24 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 40 L 7.70 3.75 0.00 1.33 0.17 0.48 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.27 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 0.00 0.00 0.00 42 A 8.39 4.08 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 43 H 8.29 3.96 0.00 3.28 3.18 0.00 5.59 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 44 E 8.47 3.99 0.00 2.48 2.21 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 2.79 2.67 0.00 45 Y 8.10 4.09 0.00 3.06 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 46 H 8.29 3.88 0.00 3.26 3.33 0.00 5.84 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 47 E 8.21 3.81 0.00 2.07 1.78 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 2.39 2.19 0.00 48 S 8.47 4.20 0.00 4.10 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 49 I 7.69 3.55 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.30 0.78 0.00 0.00 50 D 7.96 4.28 0.00 2.98 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 51 E 8.06 4.07 0.00 2.09 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 2.74 2.51 0.00 52 M 8.12 4.02 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.56 0.00 53 K 8.17 4.03 0.00 1.91 1.83 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 54 H 8.23 4.27 0.00 3.50 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.31 3.99 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 56 D 8.13 4.27 0.00 2.92 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 57 K 7.96 3.96 0.00 2.03 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.65 7.81 58 L 8.09 3.97 0.00 1.87 1.72 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.96 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 0.92 0.00 0.00 60 E 8.27 4.01 0.00 2.16 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 2.34 2.46 0.00 61 R 7.99 4.01 0.00 2.08 2.13 0.00 3.28 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 1.67 1.80 0.00 62 I 8.04 3.75 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.91 0.00 0.00 63 L 8.08 4.06 0.00 2.00 1.77 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.19 4.29 0.00 3.01 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 65 L 8.25 3.99 0.00 1.77 1.66 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.70 3.82 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 2.17 2.22 0.00 67 G 8.16 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 0.00 0.00 0.00 68 L 7.99 4.56 0.00 1.61 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.04 1.98 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 9.05 4.69 0.00 2.63 2.80 0.00 0.00 7.12 8.51 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 71 L 8.20 4.54 0.00 1.63 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.47 4.07 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.10 4.62 0.00 2.69 2.57 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 0.00 0.00 0.00 0.00 74 L 8.34 4.54 0.00 1.51 1.52 0.88 1.06 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 75 G 8.32 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 0.00 0.00 0.00 76 K 8.40 4.16 0.00 1.70 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.52 7.81 77 L 8.45 3.98 0.00 1.63 1.57 0.88 0.99 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 78 L 8.84 4.45 0.00 1.81 1.69 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.16 4.40 1.88 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 1.33 0.83 0.90 0.00 0.00 80 G 8.72 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 0.00 0.00 0.00 0.00 81 E 8.80 4.59 0.00 2.01 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 0.00 2.31 2.42 0.00 82 N 7.61 4.95 0.00 2.84 2.79 0.00 0.00 5.91 7.22 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 83 T 8.47 4.33 5.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 84 Q 8.14 4.01 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 85 E 8.74 4.08 0.00 2.23 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 2.34 2.36 0.00 86 M 8.16 3.95 0.00 1.37 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.08 0.00 87 L 8.19 4.14 0.00 1.75 1.73 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.98 3.97 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.74 4.23 0.00 3.25 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 90 D 8.34 4.70 0.00 2.98 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 91 L 8.25 3.98 0.00 1.85 1.89 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.67 4.31 0.00 2.92 2.92 0.00 0.00 6.74 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 93 L 8.12 4.04 0.00 2.02 1.97 0.93 0.83 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 94 E 8.85 4.13 0.00 2.21 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 2.73 2.65 0.00 95 L 8.15 4.06 0.00 1.88 1.74 0.95 0.42 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 96 K 7.99 3.97 0.00 1.84 1.98 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.03 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.20 3.89 4.54 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 1.31 0.00 0.00 99 K 8.02 3.94 0.00 1.98 2.10 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.23 4.41 0.00 2.91 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 0.00 101 L 8.07 3.98 0.00 1.95 1.73 0.92 0.84 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 0.00 102 R 8.02 3.96 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.12 3.98 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 104 A 7.97 3.61 1.32 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 0.00 0.00 105 I 7.82 3.60 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.93 0.00 0.00 106 V 7.66 3.56 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 0.97 0.00 0.00 0.93 0.00 0.00 107 H 8.01 3.98 0.00 3.34 3.28 0.00 5.67 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 0.00 108 C 8.52 4.03 0.00 3.05 3.16 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 0.00 0.00 0.00 0.00 109 E 8.43 3.86 0.00 2.10 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 0.00 2.37 2.46 0.00 110 Q 7.86 3.93 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 111 V 7.23 4.02 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 0.80 0.00 0.00 0.97 0.00 0.00 112 H 7.66 3.05 0.00 3.17 3.18 0.00 5.65 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.33 4.50 0.00 2.64 2.47 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 0.00 114 Y 7.55 4.28 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.82 3.67 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 1.07 0.00 0.00 0.99 0.00 0.00 116 S 8.28 4.15 0.00 4.13 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 0.00 117 R 7.93 3.87 0.00 1.94 2.21 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 118 D 8.31 4.34 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.95 3.95 0.00 1.90 1.81 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.13 4.04 0.00 1.89 1.69 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.50 3.99 0.00 2.05 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 122 D 8.19 4.36 0.00 2.88 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 0.00 123 I 7.72 3.54 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 1.18 0.70 0.73 0.00 0.00 124 L 8.21 3.92 0.00 1.82 1.87 0.93 0.93 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 0.00 125 E 8.32 3.90 0.00 2.08 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 2.31 2.32 0.00 126 S 8.01 4.24 0.00 3.98 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 0.00 127 E 8.39 4.04 0.00 2.04 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 0.00 2.55 2.52 0.00 128 E 8.60 4.01 0.00 2.13 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 0.00 2.35 2.60 0.00 129 E 8.17 4.09 0.00 2.20 2.04 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 2.36 2.37 0.00 130 H 8.29 4.43 0.00 3.57 3.41 0.00 5.64 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 0.00 131 I 8.21 3.80 2.07 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 1.47 0.89 0.94 0.00 0.00 132 D 8.29 4.29 0.00 2.95 2.90 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 0.00 133 Y 8.12 4.14 0.00 3.19 3.22 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 0.00 134 L 7.93 3.58 0.00 2.01 1.65 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.43 3.91 0.00 2.00 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 2.31 2.50 0.00 136 T 7.91 3.77 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 1.17 0.00 0.00 137 Q 7.66 3.71 0.00 1.78 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 1.44 1.79 0.00 138 L 7.72 3.89 0.00 1.73 1.61 0.83 0.90 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 0.00 139 G 8.12 3.53 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 0.00 140 L 7.85 4.00 0.00 1.74 1.82 1.02 0.77 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 0.00 141 I 7.45 3.64 1.78 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 1.13 -0.24 0.82 0.00 0.00 142 Q 7.49 3.97 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 143 K 8.04 4.15 0.00 1.72 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 144 V 8.32 4.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.11 0.00 0.00 145 G 7.48 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 0.00 0.00 0.00 146 L 8.56 3.96 0.00 1.77 1.69 0.96 0.93 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 0.00 147 E 8.17 4.02 0.00 2.05 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 0.00 2.40 2.41 0.00 148 N 8.12 4.35 0.00 3.09 2.88 0.00 0.00 6.75 7.48 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 0.00 149 Y 7.96 4.04 0.00 3.02 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 0.00 150 L 8.12 4.06 0.00 1.76 1.71 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.15 3.93 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 152 S 7.83 4.31 0.00 3.77 3.63 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 0.00 0.00 0.00 0.00 153 H 7.48 4.63 0.00 2.87 3.01 0.00 5.81 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 0.00 154 M 7.82 4.08 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 155 H 7.54 5.15 0.00 3.10 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.64 4.14 0.00 1.95 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 2.30 2.30 0.00