NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4317 8.3193 116.7868 59.3210 63.8343 172.5613 2 S 4.4534 7.7642 120.1751 56.8436 66.3860 173.0275 3 E 4.0306 9.8181 117.8225 59.6578 30.5159 178.5177 4 E 4.0191 7.7479 119.8674 55.9434 29.9866 175.4576 5 E 4.6344 8.5033 124.5544 54.5909 32.2411 174.4680 6 S 4.7702 8.4580 122.3264 57.5491 64.2825 173.5596 7 F 4.8280 9.0940 120.0552 55.3974 40.3420 174.9203 8 F 4.7202 8.8405 119.9144 57.3396 39.6969 174.9189 9 V 4.5153 8.8010 124.3888 61.1848 34.2632 174.3880 10 Q 5.2257 9.0206 126.4283 54.3245 30.8234 174.7229 11 V 5.6713 8.8845 124.4505 59.1223 34.5433 174.9678 12 H 4.9198 9.0151 122.3599 55.7681 30.0886 173.7199 13 D 5.2609 8.8538 120.9437 52.7048 44.7343 175.5666 14 V 3.7514 8.3090 112.2997 61.3608 31.6347 176.8594 15 S 3.9788 8.3063 117.5487 57.4426 62.5462 172.2254 16 P 4.2104 0.0000 0.0000 62.5424 32.0270 173.6244 17 E 3.4704 9.1694 122.6169 56.8973 27.0265 171.5048 18 Q 3.5233 8.4407 125.0027 55.2209 25.3129 171.6498 19 P 4.5880 0.0000 0.0000 64.4774 33.1590 175.7166 20 L 4.2060 7.8212 121.4175 54.5361 42.4526 176.9630 21 T 4.3407 8.7886 125.9136 62.8961 69.3006 174.4645 22 V 4.6853 8.3285 127.6185 60.8188 32.9012 175.3831 23 I 4.7039 9.1883 118.1770 59.1636 41.9970 173.9017 24 K 4.6159 8.5710 122.2893 54.5928 33.3085 174.6410 25 A 4.6765 7.7767 128.8285 48.8356 22.4001 174.1807 26 P 4.5320 0.0000 0.0000 62.5297 31.9291 178.1146 27 R 4.1666 8.2121 120.1370 57.8748 29.7627 177.7503 28 V 4.2051 7.3424 109.9633 60.5214 33.2884 176.0559 29 S 4.0626 8.6319 117.1222 58.8480 63.2426 174.0214 30 T 4.8303 8.3369 117.9597 59.7036 70.7107 174.6501 31 A 3.9903 8.4982 123.4243 55.6449 18.1287 179.8206 32 Q 4.1564 7.8870 115.6755 59.1013 28.5975 178.4348 33 D 4.2648 7.8614 120.8705 57.3733 41.0181 178.9228 34 V 3.5453 8.0991 119.8489 64.4844 31.2612 178.1710 35 I 3.5229 8.0547 121.0951 64.6237 37.0102 178.1330 36 Q 3.8714 8.1584 120.0943 58.9538 28.9377 177.9551 37 Q 3.8991 8.2968 121.2291 59.4304 29.0583 178.4001 38 T 3.8966 8.0917 116.9620 66.3211 68.2180 176.5606 39 L 3.8610 7.8247 120.7582 58.1267 41.7717 178.9346 40 C 4.1888 8.0255 118.3497 62.2685 31.3645 175.3255 41 K 4.2529 7.7986 117.3351 57.5052 31.2715 177.4143 42 A 4.6782 7.4537 121.2851 50.4678 19.7183 175.4270 43 K 3.7512 7.6693 120.6734 58.7682 31.7967 177.9303 44 Y 3.9590 8.3402 123.1185 58.6882 36.0378 170.6258 45 S 4.0594 7.1017 115.6128 60.8278 63.3450 174.4247 46 Y 4.5695 7.9087 119.0859 56.7821 39.0863 175.6896 47 S 3.7969 8.0470 111.6253 59.8276 60.9580 173.4078 48 I 4.0219 7.7959 119.5486 63.3325 37.2153 177.8697 49 L 4.3168 7.4777 118.5647 55.4304 41.1376 178.1215 50 S 4.2784 8.0136 117.1644 60.8784 62.8949 174.2153 51 N 4.9361 7.9096 118.1109 50.6883 38.3681 172.4913 52 P 4.6953 0.0000 0.0000 62.7533 31.9896 176.3916 53 N 5.0287 7.9245 117.9922 50.6958 39.1142 173.3767 54 P 4.6073 0.0000 0.0000 63.7128 31.4263 176.9983 55 S 4.4777 7.8754 114.9389 60.2074 63.3947 174.4193 56 D 4.9878 8.2890 119.2345 54.0738 42.0529 175.0278 57 Y 5.2018 8.1995 115.5858 56.3369 41.6087 175.3077 58 V 4.6086 9.0215 113.2398 59.7793 36.1754 174.5372 59 L 5.0969 8.6553 126.3506 53.8718 44.2736 174.6961 60 L 5.1147 9.1564 126.3968 53.4844 44.0033 175.9311 61 E 4.8106 9.2988 123.8457 55.2799 29.4496 172.9128 62 E 4.6183 8.8116 128.8508 55.9560 31.5180 174.8159 63 V 3.4811 8.1271 127.3693 59.0570 33.7460 175.1263 64 V 3.8660 7.6581 126.6989 62.9768 32.3306 174.9880 65 K 4.7370 8.2698 128.5279 54.0804 33.4273 176.1373 66 D 4.6896 8.4130 125.3201 53.4210 40.5836 174.9268 67 T 4.4202 8.1318 112.7997 60.8750 68.6016 174.4070 68 T 4.0690 8.7575 126.5802 66.4101 69.4002 174.8640 69 N 4.8272 7.7607 121.4904 53.0369 39.6226 175.8903 70 K 4.4887 8.3944 115.3880 55.4960 31.8297 175.0094 71 K 4.4197 8.5560 120.8674 57.0326 33.7703 177.3993 72 T 4.6903 7.3375 113.5655 61.6450 72.2871 174.7592 73 T 3.7197 8.5830 119.2747 64.4021 67.6957 173.8760 74 T 4.7277 7.0880 109.2665 58.6567 71.9754 171.6345 75 P 4.3705 0.0000 0.0000 63.3460 32.0134 175.8945 76 K 4.6499 8.6527 122.0670 55.2657 36.1580 174.6373 77 S 4.8046 8.4114 116.0163 56.8080 65.6493 174.3144 78 S 4.4551 8.8020 119.8114 56.9550 62.8802 171.9405 79 Q 4.6822 8.3499 128.3010 54.6722 30.1376 174.5143 80 R 4.7645 8.5240 125.3391 54.5154 33.9710 173.7307 81 V 4.6924 8.3972 123.7474 61.2889 33.3611 175.1283 82 L 4.6540 8.8733 127.8703 53.9752 43.5797 176.1410 83 L 4.5970 8.1591 121.0258 53.2726 44.0258 177.2551 84 D 4.4020 8.9106 118.6149 56.2257 39.4203 177.4038 85 Q 5.3117 7.5767 114.6790 54.2099 28.5284 175.6171 86 E 4.0689 8.1177 116.4557 57.4886 30.5902 173.4079 87 C 3.8371 8.0963 125.8809 59.3320 28.4437 174.1229 88 V 3.4236 8.4518 124.5047 65.7978 31.0989 177.9777 89 F 3.4574 7.8796 119.9706 60.7775 38.9877 177.1101 90 Q 3.8885 8.0037 116.4466 58.7601 28.8289 178.0409 91 A 4.1392 8.2281 122.1075 55.3440 18.3906 179.4872 92 Q 2.5200 8.1937 118.2441 58.6503 28.7060 178.2282 93 S 3.9081 7.1769 112.7962 60.1868 62.4577 175.5695 94 K 4.2080 7.7857 120.3770 57.3342 32.2534 177.5540 95 W 4.4630 7.1786 119.5581 57.4445 29.2817 175.9786 96 K 4.6795 8.7349 120.9410 56.3102 33.1988 175.5520 97 G 4.1186 7.2455 110.7965 45.3150 0.0000 176.4865 98 A 4.5391 9.1145 133.8495 50.3965 21.3701 173.4388 99 G 4.2367 7.6990 113.2716 45.1877 0.0000 171.5837 100 K 5.0751 7.7704 121.3167 55.3034 37.1386 175.1982 101 F 5.2567 9.3746 120.9820 57.1451 41.0494 175.0277 102 I 4.9062 8.9058 122.5106 59.4381 40.5739 174.3394 103 L 4.7317 8.8747 130.2047 54.4183 42.4948 175.6022 104 K 4.8574 8.9611 127.0157 54.4833 36.4622 175.1916 105 L 4.4939 8.2561 121.9488 53.7978 42.1926 178.4239 106 K 4.2032 8.4318 120.3014 58.8475 33.1476 178.7480 107 E 4.0860 8.0483 117.7425 57.9270 29.6330 176.8134 108 Q 4.3801 7.6446 118.2438 55.9551 30.0099 175.9413 109 V 4.1775 7.2199 115.9394 61.6255 31.7374 174.4297 110 Q 4.2736 7.7979 119.9715 57.0634 26.8855 176.6343 111 A 4.4875 8.7094 124.5098 53.6537 21.5695 177.6118 112 S 4.5871 7.9261 112.9575 58.4646 62.0942 174.0940 113 R 3.8924 8.1127 120.7405 56.5123 29.1433 177.2646 114 E 4.7052 8.6503 118.7930 55.3482 33.7295 173.2007 115 D 4.7508 8.7625 123.6073 55.0691 43.3198 175.9652 116 K 4.1780 8.1402 121.7487 56.9444 32.8148 176.2581 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 S 8.32 4.43 0.00 3.85 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 2 S 7.76 4.45 0.00 3.99 3.82 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 3 E 9.82 4.03 0.00 2.07 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 2.25 2.30 0.00 4 E 7.75 4.02 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 5 E 8.50 4.63 0.00 2.00 1.73 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 2.25 2.27 0.00 6 S 8.46 4.77 0.00 3.56 3.57 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 7 F 9.09 4.83 0.00 3.14 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 8 F 8.84 4.72 0.00 3.06 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 9 V 8.80 4.52 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 1.03 0.00 0.00 0.16 0.00 0.00 10 Q 9.02 5.23 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 11 V 8.88 5.67 2.30 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 1.08 0.00 0.00 1.05 0.00 0.00 12 H 9.02 4.92 0.00 3.13 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.85 5.26 0.00 2.61 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.75 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 0.75 0.00 0.00 0.76 0.00 0.00 15 S 8.31 3.98 0.00 3.96 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 16 P 0.00 4.21 0.00 2.26 2.10 0.00 4.10 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 17 E 9.17 3.47 0.00 2.11 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 2.20 2.38 0.00 18 Q 8.44 3.52 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 19 P 0.00 4.59 0.00 2.11 2.09 0.00 3.87 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 2.12 1.92 0.00 20 L 7.82 4.21 0.00 1.45 1.54 0.63 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.79 4.34 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 1.21 0.00 0.00 22 V 8.33 4.69 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 0.69 0.00 0.00 1.01 0.00 0.00 23 I 9.19 4.70 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.97 0.89 0.00 0.00 24 K 8.57 4.62 0.00 1.55 1.51 0.00 1.32 0.00 0.00 1.39 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 0.21 7.81 25 A 7.78 4.68 0.95 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 26 P 0.00 4.53 0.00 2.17 1.93 0.00 3.54 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 2.07 2.04 0.00 27 R 8.21 4.17 0.00 1.43 1.00 0.00 3.38 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 28 V 7.34 4.21 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 0.59 0.00 0.00 0.88 0.00 0.00 29 S 8.63 4.06 0.00 3.93 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 30 T 8.34 4.83 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 1.25 0.00 0.00 31 A 8.50 3.99 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 32 Q 7.89 4.16 0.00 2.43 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 33 D 7.86 4.26 0.00 2.96 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 34 V 8.10 3.55 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 0.72 0.00 0.00 0.79 0.00 0.00 35 I 8.05 3.52 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.57 0.00 0.00 36 Q 8.16 3.87 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 37 Q 8.30 3.90 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 38 T 8.09 3.90 4.28 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 1.20 0.00 0.00 39 L 7.82 3.86 0.00 1.50 1.62 0.09 0.71 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 40 C 8.03 4.19 0.00 3.03 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 41 K 7.80 4.25 0.00 1.88 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.57 7.81 42 A 7.45 4.68 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 43 K 7.67 3.75 0.00 1.80 1.63 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.62 0.71 7.81 44 Y 8.34 3.96 0.00 3.24 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 45 S 7.10 4.06 0.00 4.10 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 46 Y 7.91 4.57 0.00 2.92 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 47 S 8.05 3.80 0.00 4.06 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 48 I 7.80 4.02 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 1.14 0.00 0.00 49 L 7.48 4.32 0.00 1.63 1.66 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.01 4.28 0.00 3.92 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 51 N 7.91 4.94 0.00 2.79 2.78 0.00 0.00 6.92 7.99 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 52 P 0.00 4.70 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 53 N 7.92 5.03 0.00 2.85 2.98 0.00 0.00 6.86 8.24 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 54 P 0.00 4.61 0.00 2.25 2.10 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 55 S 7.88 4.48 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.29 4.99 0.00 2.54 2.52 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 57 Y 8.20 5.20 0.00 2.75 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.02 4.61 2.15 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 0.73 0.00 0.00 0.99 0.00 0.00 59 L 8.66 5.10 0.00 1.77 1.62 1.29 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.16 5.11 0.00 1.65 1.63 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.30 4.81 0.00 2.59 2.52 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 2.42 2.46 0.00 62 E 8.81 4.62 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 63 V 8.13 3.48 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 0.50 0.00 0.00 0.69 0.00 0.00 64 V 7.66 3.87 2.15 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 0.84 0.00 0.00 0.78 0.00 0.00 65 K 8.27 4.74 0.00 1.58 1.65 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.41 7.81 66 D 8.41 4.69 0.00 2.65 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 67 T 8.13 4.42 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 1.27 0.00 0.00 68 T 8.76 4.07 4.23 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 1.20 0.00 0.00 69 N 7.76 4.83 0.00 2.68 2.70 0.00 0.00 6.72 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 70 K 8.39 4.49 0.00 1.70 1.72 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.40 7.81 71 K 8.56 4.42 0.00 1.74 1.82 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.36 7.81 72 T 7.34 4.69 4.37 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 1.23 0.00 0.00 73 T 8.58 3.72 4.23 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 1.20 0.00 0.00 74 T 7.09 4.73 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 75 P 0.00 4.37 0.00 1.92 2.02 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 76 K 8.65 4.65 0.00 1.75 1.86 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.51 7.81 77 S 8.41 4.80 0.00 3.65 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 78 S 8.80 4.46 0.00 3.76 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 79 Q 8.35 4.68 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 80 R 8.52 4.76 0.00 1.90 1.89 0.00 3.59 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 81 V 8.40 4.69 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 1.01 0.00 0.00 0.96 0.00 0.00 82 L 8.87 4.65 0.00 1.69 1.65 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.16 4.60 0.00 1.67 1.64 0.95 0.94 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 84 D 8.91 4.40 0.00 2.84 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.58 5.31 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.09 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 86 E 8.12 4.07 0.00 2.10 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 0.00 2.39 2.50 0.00 87 C 8.10 3.84 0.00 3.16 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 88 V 8.45 3.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 89 F 7.88 3.46 0.00 2.43 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 Q 8.00 3.89 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 91 A 8.23 4.14 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.19 2.52 0.00 1.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.96 0.00 0.00 0.00 0.00 0.00 1.84 1.19 0.00 93 S 7.18 3.91 0.00 3.53 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 94 K 7.79 4.21 0.00 2.01 1.93 0.00 2.14 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.80 7.81 95 W 7.18 4.46 0.00 3.35 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.73 4.68 0.00 1.72 1.81 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.67 7.81 97 G 7.25 4.12 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 0.00 0.00 0.00 98 A 9.11 4.54 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.70 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 0.00 0.00 0.00 0.00 100 K 7.77 5.08 0.00 1.83 1.96 0.00 1.58 0.00 0.00 1.97 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.49 1.55 7.81 101 F 9.37 5.26 0.00 3.15 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 0.00 102 I 8.91 4.91 1.95 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 1.10 0.68 0.97 0.00 0.00 103 L 8.87 4.73 0.00 1.69 1.67 0.86 0.44 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 0.00 104 K 8.96 4.86 0.00 1.91 1.77 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.49 7.81 105 L 8.26 4.49 0.00 1.71 1.52 -0.00 0.57 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 0.00 106 K 8.43 4.20 0.00 1.96 2.09 0.00 1.55 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.40 7.81 107 E 8.05 4.09 0.00 1.91 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 2.28 2.24 0.00 108 Q 7.64 4.38 0.00 1.93 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 109 V 7.22 4.18 2.26 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 0.73 0.00 0.00 0.95 0.00 0.00 110 Q 7.80 4.27 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.30 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 111 A 8.71 4.49 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 0.00 112 S 7.93 4.59 0.00 3.84 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 0.00 113 R 8.11 3.89 0.00 2.00 1.79 0.00 3.41 0.00 0.00 3.16 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 114 E 8.65 4.71 0.00 1.85 1.75 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 2.19 2.48 0.00 115 D 8.76 4.75 0.00 2.63 2.63 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 0.00 116 K 8.14 4.18 0.00 1.93 1.77 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.57 1.37 7.81