NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0991 8.0549 120.3914 62.4333 32.5798 175.1640 2 L 3.9834 8.2992 127.4700 52.5042 42.2666 176.0174 3 S 4.5293 9.6929 119.2295 57.6863 66.2114 175.0813 4 E 4.2704 8.8496 121.6342 59.7365 29.3145 179.8890 5 G 3.6475 8.1215 105.1091 47.8217 0.0000 175.3857 6 E 3.9241 8.1922 120.9578 59.0348 29.4017 179.4888 7 W 4.4123 8.2479 119.1010 59.8640 29.0917 178.3316 8 Q 4.1035 8.5977 119.7283 59.1412 28.4547 178.3583 9 L 4.0740 7.9515 119.7272 57.6887 41.6837 179.5875 10 V 3.7467 7.9619 118.0905 66.2801 31.6272 178.0497 11 L 4.3704 8.5761 118.3186 57.1698 41.2848 178.9580 12 H 4.2374 8.3099 118.5182 59.2665 30.2845 177.3328 13 V 3.7405 7.8802 120.6812 64.4778 31.3637 178.1519 14 W 3.8728 8.5990 128.8685 60.0541 30.3100 177.8109 15 A 4.0224 8.0603 120.0827 54.9098 18.0132 179.4432 16 K 3.9138 7.6817 117.0736 59.3210 31.9569 179.7309 17 V 2.9704 6.9246 118.1855 65.4976 31.1504 177.2276 18 E 3.9194 7.3145 115.6006 57.5788 29.3478 178.1377 19 A 4.2072 7.4611 120.6190 53.3470 19.9903 177.6184 20 D 4.6444 7.9452 116.0001 52.2346 43.1232 175.6434 21 V 3.4942 7.7957 123.7135 65.9243 32.0531 176.8057 22 A 4.0509 7.9777 120.1195 55.0214 18.2787 179.7009 23 G 3.6733 8.3744 105.6335 45.4803 0.0000 175.6505 24 H 4.1564 8.2309 118.8968 58.5396 28.6898 178.1953 25 G 3.5309 8.3189 107.6841 47.7445 0.0000 175.7804 26 Q 3.8816 8.2065 120.6345 58.8501 28.7403 178.7293 27 D 4.2793 7.9773 119.7917 57.3429 40.7658 179.0100 28 I 3.6522 7.9148 120.5252 64.3887 37.0507 178.5852 29 L 3.4299 7.7944 119.8356 57.3850 41.2213 179.6055 30 I 3.5668 7.6255 119.9516 64.3361 36.9766 178.3794 31 R 3.7777 7.9335 119.5156 59.1620 29.8455 178.1734 32 L 3.9407 7.8736 120.1858 58.4378 41.8340 179.1542 33 F 4.5952 8.0953 117.8313 60.4343 38.5629 178.0213 34 K 4.0926 8.1853 117.7804 59.6018 32.0119 179.4072 35 S 4.2860 8.1791 114.6289 60.4165 63.9770 174.5060 36 H 4.6911 8.1373 118.3928 52.1521 29.5127 171.9075 37 P 4.5049 0.0000 0.0000 64.3250 31.4752 177.4738 38 E 4.1146 8.2023 116.4382 59.2970 29.4833 179.1304 39 T 4.0306 8.2596 111.6929 64.6433 68.8938 176.4445 40 L 3.5836 7.9092 123.1274 57.6879 41.7949 178.5145 41 E 4.0241 7.7003 117.7135 58.7066 29.6327 178.3178 42 K 4.4530 8.0089 116.7913 56.9605 32.7149 177.3962 43 F 4.6248 8.2046 119.4227 55.4444 39.4847 175.4697 44 D 4.4031 8.6304 124.4850 57.2261 40.9930 178.7037 45 R 3.8126 7.9097 117.9896 58.3335 30.2135 176.6598 46 F 5.0563 8.0486 113.9391 56.6777 40.8088 176.5207 47 K 4.1428 8.1309 119.0679 58.5035 32.5309 177.5393 48 H 4.3706 8.0887 114.7892 57.4021 28.9208 175.3412 49 L 4.1724 7.6862 121.8358 54.4166 41.6774 176.7096 50 K 4.5233 9.5140 122.6800 56.0842 34.2917 176.5826 51 T 4.7468 7.4924 108.5741 58.8473 73.1660 174.1735 52 E 3.9085 8.6547 121.7455 59.4250 29.7311 178.8526 53 A 3.9894 7.9582 120.3673 55.2248 18.2486 179.3120 54 E 3.9477 8.1907 116.3344 59.6608 29.9257 179.1483 55 M 4.1817 8.1446 118.7460 58.4913 31.8645 179.0562 56 K 3.9859 8.2234 117.2593 58.9610 32.2677 178.5325 57 A 4.4331 7.6334 118.9651 51.9505 19.1652 177.1208 58 S 4.3238 7.5110 113.4050 57.3191 62.6183 174.4150 59 E 4.0066 8.8582 129.4863 59.3013 29.4645 177.9546 60 D 4.4241 8.1925 117.8639 57.1515 41.2749 177.8405 61 L 3.4521 8.1183 121.0788 57.7536 42.1559 178.8219 62 K 3.8571 7.9380 119.2919 59.3522 32.1212 178.8557 63 K 3.9828 8.3219 118.9136 59.9226 31.9577 178.8516 64 H 4.4200 8.6644 118.5842 59.0826 29.7445 177.3778 65 G 3.5993 8.3579 107.9750 47.7625 0.0000 175.8023 66 V 3.5972 7.7358 120.1413 66.0161 31.5703 178.0607 67 T 3.8820 7.9061 115.5031 66.7662 68.3125 176.6318 68 V 3.5905 7.9507 120.0325 66.1940 31.5672 178.1528 69 L 4.2484 8.1976 118.6264 57.8536 41.4166 179.6431 70 T 3.9843 8.4041 116.2113 66.5151 68.4339 176.5633 71 A 4.0054 8.0539 122.7762 55.0418 18.3531 179.4756 72 L 3.7585 8.1901 119.1073 58.1011 42.1511 179.3940 73 G 3.2605 8.5206 105.9066 47.6257 0.0000 175.5202 74 A 4.0188 7.7795 122.2245 54.8260 18.6317 179.6041 75 I 3.7980 7.6047 118.2167 64.5839 37.2007 178.6020 76 L 3.9954 7.8997 120.1668 57.7089 41.2111 179.3961 77 K 4.0501 7.7430 116.1269 57.8959 32.3134 178.5690 78 K 3.9905 7.8688 118.6745 55.8386 32.5855 176.5391 79 K 2.0000 8.3785 118.2759 56.3999 29.8351 175.6598 80 G 3.9346 8.0539 106.2684 45.6904 0.0000 174.0923 81 H 4.5779 7.4014 119.1324 55.2892 27.5245 174.8221 82 H 5.2123 7.2711 110.6940 54.3376 29.8872 176.1747 83 E 3.9313 8.5521 122.6548 60.3029 29.0103 178.6523 84 A 4.0624 7.9239 118.7075 55.1381 17.3654 178.9922 85 E 4.1061 8.1182 116.8181 59.4230 29.7052 179.1532 86 L 4.3037 8.2260 118.9655 56.8663 41.7031 178.9063 87 K 3.7956 7.9019 119.9192 59.3535 32.0000 176.9431 88 P 4.2819 0.0000 0.0000 65.6090 31.2871 178.1085 89 L 3.9875 7.5274 119.8688 57.9109 42.0286 178.7788 90 A 4.1270 8.5431 121.1351 55.2381 18.3085 179.6059 91 Q 3.7891 8.1856 116.7833 59.0828 28.7606 179.2941 92 S 3.9652 8.2458 115.4044 61.8206 62.9882 176.2782 93 H 4.1569 8.6154 119.9672 58.1395 28.2043 177.7882 94 A 2.9709 7.8352 122.4943 54.6883 18.1703 179.0499 95 T 3.7419 7.1839 105.7689 62.0869 69.6971 175.5080 96 K 4.1841 7.4137 120.5545 58.3539 33.2340 176.9835 97 H 4.3034 8.0364 114.2923 56.2291 29.3727 175.3977 98 K 3.7451 7.6802 116.9907 57.3982 28.6886 176.4630 99 I 4.2028 7.8447 119.2187 58.7836 38.2819 175.0392 100 P 4.4238 0.0000 0.0000 62.2789 32.0626 177.5972 101 I 3.3932 8.4200 122.1088 64.6186 36.8865 178.3889 102 K 3.6336 7.9471 119.6706 59.8491 31.8992 178.1007 103 Y 4.0337 8.0068 116.4573 60.4071 37.7472 178.0432 104 L 4.1841 7.8508 120.5042 57.4543 41.6630 178.9449 105 E 3.9637 7.8692 119.0740 59.2514 29.6521 178.6711 106 F 4.4894 7.7859 117.8907 60.7847 38.8907 177.5550 107 I 3.8783 8.1853 118.1747 63.9540 37.7587 178.1058 108 S 4.1728 8.2629 116.4176 61.6105 62.6506 176.4169 109 E 4.0647 8.5288 121.0721 59.3824 29.2120 179.3009 110 A 4.0372 8.0927 120.8661 55.0518 18.3944 179.6886 111 I 3.6836 8.1049 118.5940 64.7673 37.2811 178.7534 112 I 3.8672 7.9638 120.5296 64.5491 36.9268 177.9851 113 H 4.1275 8.4664 119.1312 59.4422 29.7044 177.5765 114 V 3.6119 7.9878 119.9855 65.9086 31.3281 178.0005 115 L 3.7808 8.0041 118.9874 57.7666 41.0596 178.9347 116 H 4.4437 8.0617 117.4940 59.3917 29.9170 177.2674 117 S 4.2122 8.0004 116.1173 61.4440 62.7768 176.2993 118 R 4.1319 7.8480 118.8484 57.2137 31.3384 176.3461 119 H 5.0235 8.1003 116.1173 53.9792 29.9412 173.0769 120 P 4.2923 0.0000 0.0000 65.8108 31.7141 179.2887 121 G 3.6813 8.1688 106.6020 47.5775 0.0000 173.5911 122 D 5.0301 8.0341 117.5475 54.0328 41.4085 176.1791 123 F 5.0387 8.0261 121.3071 56.4928 39.7228 174.8155 124 G 3.8505 8.0379 106.9055 44.0822 0.0000 173.1980 125 A 3.9270 8.3907 121.0745 54.8362 18.2303 179.3923 126 D 4.1972 8.0095 117.0721 56.8371 39.3512 178.7706 127 A 3.9743 7.7683 122.0661 54.4999 18.3497 179.4015 128 Q 3.2307 7.8906 117.2462 58.7377 28.6540 179.3120 129 G 3.4636 8.2629 106.8912 47.5980 0.0000 175.7113 130 A 3.8613 7.9922 123.2435 55.0816 18.3198 179.4375 131 M 4.0022 8.4375 117.2014 58.6923 32.2445 177.8845 132 N 4.3056 8.4735 117.5638 56.6476 39.0428 176.9943 133 K 3.8821 8.1865 119.6718 59.3706 32.1312 179.2022 134 A 3.8365 8.1214 121.3236 55.1428 18.2669 179.7154 135 L 4.1124 8.2950 117.6790 57.6555 41.6703 179.5049 136 E 3.9941 8.5598 119.2402 59.2689 29.4025 179.0395 137 L 4.0076 8.2006 120.5501 57.9519 42.0837 178.5995 138 F 4.1199 8.3643 120.6337 61.6468 39.2890 177.4502 139 R 3.5762 8.2671 117.5253 58.8154 29.8340 178.8748 140 K 3.8328 8.4261 119.9284 59.7723 31.9435 178.6205 141 D 4.3668 8.1512 118.9919 57.1730 40.6836 178.8715 142 I 3.5399 7.6492 120.3928 64.1662 36.9174 178.2936 143 A 3.7047 8.2157 121.8322 54.9547 18.1308 179.5717 144 A 3.9382 7.9338 119.3757 55.1632 18.4659 180.0891 145 K 4.0083 7.8691 116.9869 59.6675 32.0806 179.0354 146 Y 4.1060 8.5536 117.5356 61.1510 37.8124 178.8530 147 K 3.9989 8.5032 120.6370 59.3216 32.0772 178.0952 148 E 3.9287 7.9941 118.7032 59.5434 29.6361 178.4197 149 L 4.4348 7.7601 114.9889 54.8963 41.9383 177.4900 150 G 3.7875 8.1415 107.2422 46.2941 0.0000 173.6950 151 Y 4.5815 8.2398 114.0494 57.2103 39.0886 176.7475 152 Q 4.1483 8.2663 122.8064 58.1419 29.5613 176.0160 153 G 4.0601 8.2852 110.2215 45.7287 0.0000 173.1048 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 V 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.30 3.98 0.00 0.63 0.61 0.54 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.69 4.53 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.85 4.27 0.00 2.07 2.13 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 2.51 2.39 0.00 5 G 8.12 3.65 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 6 E 8.19 3.92 0.00 2.02 1.72 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 2.22 2.27 0.00 7 W 8.25 4.41 0.00 3.56 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 Q 8.60 4.10 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.95 4.07 0.00 1.97 1.75 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.96 3.75 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 1.22 0.00 0.00 0.88 0.00 0.00 11 L 8.58 4.37 0.00 1.85 1.82 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.31 4.24 0.00 3.32 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.74 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 0.98 0.00 0.00 0.79 0.00 0.00 14 W 8.60 3.87 0.00 3.68 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 15 A 8.06 4.02 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 16 K 7.68 3.91 0.00 1.42 1.54 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.41 7.81 17 V 6.92 2.97 0.81 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 -0.03 0.00 0.00 0.25 0.00 0.00 18 E 7.31 3.92 0.00 1.86 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 2.17 1.97 0.00 19 A 7.46 4.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.95 4.64 0.00 2.65 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 21 V 7.80 3.49 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 1.05 0.00 0.00 0.83 0.00 0.00 22 A 7.98 4.05 1.30 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 23 G 8.37 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.23 4.16 0.00 3.27 3.24 0.00 5.82 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 25 G 8.32 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 26 Q 8.21 3.88 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 D 7.98 4.28 0.00 2.74 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 28 I 7.91 3.65 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.88 0.00 0.00 29 L 7.79 3.43 0.00 1.26 0.72 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.63 3.57 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.87 0.00 0.00 31 R 7.93 3.78 0.00 1.90 2.04 0.00 3.06 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 32 L 7.87 3.94 0.00 1.77 1.48 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.10 4.60 0.00 3.03 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 34 K 8.19 4.09 0.00 1.75 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 35 S 8.18 4.29 0.00 3.74 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.14 4.69 0.00 3.04 2.82 0.00 5.62 0.00 0.00 0.00 0.00 6.84 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 4.50 0.00 2.14 2.09 0.00 3.81 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 2.08 1.98 0.00 38 E 8.20 4.11 0.00 2.29 2.28 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 1.98 2.34 0.00 39 T 8.26 4.03 4.56 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 0.00 0.00 1.03 0.00 0.00 40 L 7.91 3.58 0.00 1.23 1.72 0.01 1.05 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 41 E 7.70 4.02 0.00 2.16 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 0.00 2.38 2.45 0.00 42 K 8.01 4.45 0.00 1.96 1.72 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.93 7.81 43 F 8.20 4.62 0.00 3.20 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 44 D 8.63 4.40 0.00 2.63 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 45 R 7.91 3.81 0.00 1.47 1.02 0.00 3.00 0.00 0.00 2.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.32 0.00 46 F 8.05 5.06 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.13 4.14 0.00 1.86 2.22 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.45 7.81 48 H 8.09 4.37 0.00 3.31 3.48 0.00 5.52 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 49 L 7.69 4.17 0.00 1.62 1.59 0.95 0.79 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 50 K 9.51 4.52 0.00 1.76 1.80 0.00 1.65 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 1.53 1.47 7.81 51 T 7.49 4.75 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 1.21 0.00 0.00 52 E 8.65 3.91 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 53 A 7.96 3.99 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 54 E 8.19 3.95 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 55 M 8.14 4.18 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 56 K 8.22 3.99 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.55 7.81 57 A 7.63 4.43 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 58 S 7.51 4.32 0.00 3.96 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 59 E 8.86 4.01 0.00 2.14 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 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.12 3.45 0.00 1.41 1.61 -0.17 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.86 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.32 3.98 0.00 2.20 1.94 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 64 H 8.66 4.42 0.00 3.62 3.49 0.00 5.79 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 65 G 8.36 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.74 3.60 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.91 3.88 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 1.28 0.00 0.00 68 V 7.95 3.59 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 1.08 0.00 0.00 0.96 0.00 0.00 69 L 8.20 4.25 0.00 1.81 1.92 0.87 0.78 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 70 T 8.40 3.98 4.45 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 1.26 0.00 0.00 71 A 8.05 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.19 3.76 0.00 1.59 1.70 0.28 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 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 74 A 7.78 4.02 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 75 I 7.60 3.80 1.92 0.00 0.00 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 1.56 0.60 0.97 0.00 0.00 76 L 7.90 4.00 0.00 1.19 1.58 -0.21 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 4.05 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.87 3.99 0.00 1.83 1.80 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.75 7.81 79 K 8.38 2.00 0.00 1.23 0.74 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.63 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.71 7.81 80 G 8.05 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 81 H 7.40 4.58 0.00 3.16 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.27 5.21 0.00 3.28 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.93 0.00 2.12 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 2.40 2.47 0.00 84 A 7.92 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.12 4.11 0.00 2.26 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 2.41 2.47 0.00 86 L 8.23 4.30 0.00 1.73 1.66 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.90 3.80 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 88 P 0.00 4.28 0.00 2.33 2.30 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 89 L 7.53 3.99 0.00 1.96 1.87 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.54 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.19 3.79 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 92 S 8.25 3.97 0.00 3.86 4.09 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 93 H 8.62 4.16 0.00 3.49 3.58 0.00 5.81 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 94 A 7.84 2.97 -0.14 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 0.00 0.00 95 T 7.18 3.74 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 0.80 0.00 0.00 96 K 7.41 4.18 0.00 1.55 1.71 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.04 4.30 0.00 3.01 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.68 3.75 0.00 1.88 1.86 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.38 7.81 99 I 7.84 4.20 2.04 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 1.32 0.93 1.08 0.00 0.00 100 P 0.00 4.42 0.00 1.67 1.77 0.00 2.38 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.80 0.00 101 I 8.42 3.39 1.71 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.71 0.00 0.00 102 K 7.95 3.63 0.00 1.75 1.71 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 0.68 7.81 103 Y 8.01 4.03 0.00 3.08 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 0.00 104 L 7.85 4.18 0.00 1.84 1.82 0.66 0.92 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 0.00 105 E 7.87 3.96 0.00 1.96 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 2.45 2.43 0.00 106 F 7.79 4.49 0.00 3.25 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 0.00 107 I 8.19 3.88 2.02 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 1.57 1.66 1.09 0.00 0.00 108 S 8.26 4.17 0.00 4.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.53 4.06 0.00 2.28 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 2.66 2.60 0.00 110 A 8.09 4.04 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 0.00 111 I 8.10 3.68 2.10 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 1.59 0.74 1.04 0.00 0.00 112 I 7.96 3.87 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.16 1.19 0.00 0.00 113 H 8.47 4.13 0.00 3.34 3.46 0.00 5.59 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 0.00 114 V 7.99 3.61 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 0.97 0.00 0.00 0.98 0.00 0.00 115 L 8.00 3.78 0.00 1.21 0.38 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.06 4.44 0.00 3.59 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.00 4.21 0.00 3.99 3.85 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 0.00 118 R 7.85 4.13 0.00 1.48 1.54 0.00 2.72 0.00 0.00 2.70 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 119 H 8.10 5.02 0.00 3.18 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.19 2.23 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.17 3.68 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 0.00 0.00 0.00 122 D 8.03 5.03 0.00 2.77 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 0.00 123 F 8.03 5.04 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.04 3.85 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 0.00 0.00 0.00 125 A 8.39 3.93 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 0.00 126 D 8.01 4.20 0.00 2.87 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 0.00 127 A 7.77 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 0.00 128 Q 7.89 3.23 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 129 G 8.26 3.46 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 0.00 0.00 0.00 0.00 130 A 7.99 3.86 1.30 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 0.00 131 M 8.44 4.00 0.00 2.40 2.49 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 2.77 2.88 0.00 132 N 8.47 4.31 0.00 2.85 2.94 0.00 0.00 7.20 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 0.00 133 K 8.19 3.88 0.00 1.86 1.66 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 8.12 3.84 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 0.00 135 L 8.29 4.11 0.00 1.74 1.78 0.97 1.05 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 0.00 136 E 8.56 3.99 0.00 2.21 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 2.54 0.00 137 L 8.20 4.01 0.00 1.86 1.96 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.36 4.12 0.00 3.05 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 0.00 139 R 8.27 3.58 0.00 2.04 1.86 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 140 K 8.43 3.83 0.00 1.79 1.96 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.15 4.37 0.00 2.76 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 0.00 142 I 7.65 3.54 1.31 0.00 0.00 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 0.88 -0.26 0.45 0.00 0.00 143 A 8.22 3.70 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 0.00 0.00 144 A 7.93 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 0.00 145 K 7.87 4.01 0.00 2.02 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.66 7.81 146 Y 8.55 4.11 0.00 3.03 3.07 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 0.00 147 K 8.50 4.00 0.00 2.10 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.99 3.93 0.00 2.04 2.24 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 2.35 2.39 0.00 149 L 7.76 4.43 0.00 1.98 1.93 0.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.14 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.24 4.58 0.00 2.64 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.27 4.15 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 153 G 8.29 4.06 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 0.00 0.00 0.00