NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8465 8.3549 109.7368 45.4470 0.0000 173.5279 2 S 4.3708 8.4437 115.7355 55.8643 64.1300 172.5202 3 S 4.6766 8.5698 120.4025 55.8368 64.5176 173.6902 4 G 4.2192 7.9832 116.1404 45.3708 0.0000 170.1950 5 S 4.4659 9.0100 115.7828 59.7051 64.9540 174.2301 6 S 4.0575 8.0591 114.2601 59.0518 62.8152 175.1181 7 G 4.8782 8.1021 123.5629 45.8319 0.0000 173.3039 8 V 3.6189 7.8183 120.0671 60.9352 31.8729 176.1729 9 K 3.7552 8.3297 124.3943 56.2688 32.5837 176.4729 10 F 5.1487 8.1358 120.2606 57.0461 40.5794 175.1043 11 L 4.0205 8.4631 119.6941 55.8884 39.8023 175.1216 12 T 4.4783 7.6898 105.7433 59.5342 71.6151 173.3901 13 V 3.4641 8.1378 125.3204 62.6614 31.6591 175.0031 14 N 4.4804 7.9626 125.8293 52.2757 38.3629 174.9866 15 D 4.3554 8.7474 124.0368 57.7892 40.9663 176.9216 16 D 4.3622 7.7620 123.7699 53.0284 39.9179 176.4287 17 I 4.3230 8.1155 118.4993 60.6497 38.5412 175.5086 18 L 4.8972 8.9682 125.4528 52.9251 46.1159 175.9243 19 S 4.4840 8.8066 117.2831 58.6611 64.1314 174.8024 20 M 3.0738 7.3090 117.6594 58.0161 31.6572 176.4859 21 P 4.3182 0.0000 0.0000 63.9657 31.3745 176.9070 22 Q 4.3651 7.2057 118.1758 56.9045 30.0673 177.5946 23 A 3.0598 8.0586 122.3935 54.6742 18.0888 179.5531 24 R 3.8989 7.5148 114.5904 59.8385 29.1446 178.4314 25 N 4.3316 7.9724 116.9453 56.3409 39.0443 176.2711 26 F 4.0365 7.9156 121.2325 61.2118 39.5874 176.1003 27 C 4.3320 8.9950 115.8037 60.3783 38.4630 176.3932 28 A 4.6230 7.7613 122.5750 54.9066 17.8300 179.5214 29 S 4.0686 7.7894 109.8647 61.4655 62.4639 175.9815 30 A 4.0128 7.9385 122.8153 55.2460 18.5663 176.8723 31 G 3.1086 6.5720 104.6230 44.9008 0.0000 173.0174 32 G 4.1109 8.5207 108.8215 46.6129 0.0000 172.7269 33 Y 5.3793 7.9336 116.7008 55.4301 41.7579 174.2157 34 L 4.7169 8.9657 120.2420 55.8164 42.6383 177.1677 35 A 4.6092 9.0970 125.4926 51.3282 18.9642 177.4758 36 D 4.7461 9.0696 122.5515 55.1969 41.9600 175.8608 37 D 5.5981 8.6780 120.9795 52.6965 40.6716 176.0588 38 L 4.7404 8.1061 118.4347 55.8626 41.3570 174.6980 39 G 3.6843 9.4151 111.1969 44.0128 0.0000 171.4580 40 D 4.4081 8.6260 126.4545 56.5891 38.2740 178.8349 41 D 4.7413 8.0134 121.6817 55.7565 40.9198 179.3209 42 K 3.9230 8.4705 120.3302 58.9115 32.3543 178.3443 43 N 4.6272 8.0260 117.0112 56.8841 38.7565 176.3026 44 N 4.2512 8.6337 118.7542 56.0486 37.0129 176.7277 45 F 4.2130 7.5818 119.6871 61.1030 39.5032 177.0168 46 Y 3.6767 7.2523 116.3972 61.1121 37.5010 178.0671 47 S 4.1220 7.9867 112.8073 62.1245 62.7072 175.8379 48 S 4.1015 7.6228 115.0688 61.4477 61.9055 176.1206 49 I 3.7096 7.1972 115.9302 63.0923 37.5448 176.5535 50 A 4.6111 8.0996 122.7581 51.2868 18.8985 175.2859 51 A 4.1273 7.3589 123.8346 54.1991 18.7744 177.6398 52 N 4.2493 8.8091 122.5730 55.4045 36.2644 174.9291 53 T 4.6850 8.3046 113.6648 61.9609 72.6686 173.4565 54 Q 5.5025 9.1260 125.4548 53.6908 30.1780 174.9180 55 F 5.1072 8.4396 118.3760 54.5801 41.9276 174.4404 56 W 5.1503 9.3454 120.9325 57.0947 29.8740 174.7048 57 I 4.8808 8.3711 113.6585 59.8362 40.7882 175.7455 58 G 4.1983 9.2122 107.3667 47.7735 0.0000 173.1520 59 L 4.3005 8.0002 124.5850 53.6981 43.0013 175.6372 60 F 5.1961 7.8228 120.4328 55.2648 41.3354 173.5043 61 K 4.1498 8.8745 123.9455 56.3522 32.9240 175.8900 62 N 4.8981 8.8653 125.4976 51.7158 41.1181 175.4614 63 S 4.1112 8.6209 114.9353 61.9814 62.9417 175.7499 64 D 4.4113 8.2280 118.3317 58.4691 40.5462 177.5058 65 G 3.7616 7.2159 104.3632 45.1567 0.0000 173.3820 66 Q 4.4159 7.9614 119.1096 54.2611 31.6593 174.4007 67 F 4.8189 8.3120 120.0351 56.9972 40.7605 174.8615 68 Y 4.5891 8.1542 121.5621 55.8464 41.4947 173.9875 69 W 5.2343 8.7039 119.0919 55.0463 32.4603 175.0766 70 D 4.9495 9.3368 125.1793 54.2041 41.2189 176.2348 71 R 4.0557 8.9018 125.5632 55.9358 31.4254 175.3954 72 G 3.9180 8.0129 105.2641 44.3418 0.0000 172.5573 73 Q 4.2738 8.6024 120.4516 56.0169 29.8168 174.9613 74 G 4.3396 9.0608 115.6641 45.6573 0.0000 173.8718 75 I 3.7012 7.5460 118.1742 61.3374 37.5978 175.2765 76 N 4.4748 8.6445 121.5721 52.5674 38.6397 173.4980 77 P 4.8303 0.0000 0.0000 62.9023 32.8198 174.7966 78 D 5.1438 8.5768 119.5433 52.3789 43.7091 174.7907 79 L 3.7063 8.5177 127.7366 54.1784 42.9958 176.1998 80 L 4.4019 8.5546 129.4718 55.1636 41.2965 175.7924 81 N 5.0977 8.5854 124.1925 52.0382 37.9820 174.7276 82 Q 4.4620 8.1852 116.4973 55.4201 29.9527 174.1162 83 P 4.3635 0.0000 0.0000 65.1151 31.8196 176.5842 84 I 4.1285 7.5003 119.6342 59.8880 38.1763 174.7347 85 T 3.9536 7.6533 113.5209 60.1682 72.1255 172.7780 86 Y 4.3156 5.3700 115.2993 56.6703 40.0187 175.3355 87 W 4.6945 7.8763 118.6925 57.3192 29.7981 176.0590 88 A 4.3385 8.9589 126.7829 51.3341 19.6815 175.6483 89 N 4.1694 8.6725 115.6902 57.3024 36.3917 173.6148 90 G 4.1290 8.9053 112.6580 45.8576 0.0000 172.8174 91 E 4.1879 7.6007 118.1096 55.3459 30.0310 175.0988 92 P 4.1872 0.0000 0.0000 62.4585 32.0264 176.0050 93 S 4.5136 7.9093 113.3933 58.0557 63.1196 173.3633 94 N 4.9640 8.3717 119.4600 53.0619 39.4170 174.6385 95 D 4.8078 7.8919 118.1239 52.4499 42.2348 176.3278 96 P 4.4004 0.0000 0.0000 65.5903 31.8692 177.8008 97 T 4.0084 7.9596 109.2465 63.4794 69.2552 174.1860 98 R 4.7382 7.4763 120.6322 54.9901 30.7949 175.5406 99 Q 4.5275 8.6411 120.8864 56.8931 32.5688 176.8090 100 C 5.0883 8.1257 114.9848 56.3121 40.6874 173.0580 101 V 5.3313 8.4576 118.7826 61.3756 34.3037 173.8471 102 Y 5.0904 8.4787 124.5891 54.6908 41.4924 174.4330 103 F 3.9231 8.6819 125.8613 58.6162 40.5070 173.5299 104 D 4.7269 8.2342 127.6452 52.9876 39.9418 176.0087 105 G 4.0164 8.9220 112.0063 49.4385 0.0000 172.8111 106 R 4.0534 8.4467 118.7679 58.8679 30.1573 175.4239 107 S 4.0630 8.4659 113.8732 58.1371 61.9712 173.6268 108 G 3.9326 8.8906 117.5113 48.6794 0.0000 171.8313 109 D 4.5760 7.9803 121.5017 52.8525 40.3060 177.2050 110 K 4.0203 8.6186 125.0397 59.1979 32.6671 178.0765 111 S 4.5619 7.9188 112.2106 59.0288 63.5593 174.1219 112 K 4.7918 7.9187 121.5107 56.4224 33.0186 177.7693 113 V 3.6924 7.5763 114.2250 63.4478 33.2343 177.1719 114 W 4.4011 7.5024 120.2098 57.1848 30.0326 175.8703 115 T 5.0078 7.8797 120.6643 62.3872 72.8883 172.9467 116 T 5.0936 8.3930 115.8202 61.4887 69.8264 173.6852 117 D 4.9889 9.6449 123.7417 52.9921 46.6952 174.3395 118 T 4.3803 8.6077 114.1339 61.8719 68.5742 174.5098 119 C 4.6061 8.7544 123.8941 57.4441 40.5960 175.2137 120 A 4.2993 7.6538 123.9622 53.0677 20.7063 178.2579 121 T 4.1406 8.1183 112.8743 63.1887 69.0424 172.6380 122 P 4.6149 0.0000 0.0000 63.1540 31.8418 175.8468 123 R 4.8665 8.8620 122.7525 53.3509 35.1092 173.0750 124 P 5.0961 0.0000 0.0000 63.2747 33.3044 174.7608 125 F 5.5688 7.9971 114.2398 56.0327 42.2138 172.6954 126 I 4.8231 8.6196 117.8206 60.0999 40.9606 175.6783 127 C 5.3481 9.0126 124.6192 56.4593 43.4496 172.5195 128 Q 4.9140 9.4349 122.8490 54.2619 32.5813 173.8006 129 K 4.1949 7.4731 123.0130 54.8512 34.6672 175.8580 130 H 4.7583 8.3755 117.9955 56.0787 29.1991 174.8266 131 R 4.4610 8.4160 118.7531 56.7788 30.5617 176.1520 132 Y 4.3234 7.9450 118.4557 56.9483 39.7789 173.4327 133 D 4.7282 7.3088 124.2116 52.6809 44.8809 173.7668 134 S 4.7126 8.2697 115.8532 56.6860 64.1472 171.7473 135 D 4.5749 8.4965 123.5318 55.4545 42.8436 174.7917 136 H 4.8665 7.9833 116.9554 54.2073 32.0548 174.1105 137 K 4.5559 7.9821 125.1989 53.5842 31.9916 173.7010 138 P 4.4330 0.0000 0.0000 64.9706 31.8933 176.6918 139 N 4.8823 7.5045 113.8083 52.4926 41.8750 174.1102 140 T 4.0452 8.6710 118.3408 65.6425 68.7799 176.0790 141 I 3.3128 7.2446 111.2966 61.5720 37.1574 173.9953 142 G 4.1141 7.8570 107.4677 45.4673 0.0000 173.3933 143 D 4.4871 8.3765 118.2635 52.3530 44.1266 174.4386 144 A 3.8412 8.3976 128.5064 52.4478 18.4182 176.6396 145 S 4.7837 8.5750 117.6306 56.6775 65.3061 173.4328 146 G 4.2062 8.1198 109.9023 42.5574 0.0000 170.8998 147 P 4.4923 0.0000 0.0000 62.5640 32.0356 175.7968 148 S 4.8291 8.3260 114.9563 56.6568 65.3571 174.1037 149 S 4.5485 8.4298 117.3782 56.5175 65.0516 174.2372 150 G 3.7246 8.7564 113.2528 45.5572 0.0000 172.9976 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 G 8.35 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 2 S 8.44 4.37 0.00 3.90 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 3 S 8.57 4.68 0.00 3.76 3.71 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 4 G 7.98 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 0.00 0.00 0.00 0.00 5 S 9.01 4.47 0.00 3.82 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 6 S 8.06 4.06 0.00 3.83 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 7 G 8.10 4.88 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 8 V 7.82 3.62 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 0.73 0.00 0.00 1.04 0.00 0.00 9 K 8.33 3.76 0.00 1.66 1.70 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.36 7.81 10 F 8.14 5.15 0.00 3.09 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 11 L 8.46 4.02 0.00 2.01 2.16 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.69 4.48 4.16 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 1.25 0.00 0.00 13 V 8.14 3.46 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 0.64 0.00 0.00 0.32 0.00 0.00 14 N 7.96 4.48 0.00 2.07 2.42 0.00 0.00 6.34 8.48 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 15 D 8.75 4.36 0.00 2.59 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 16 D 7.76 4.36 0.00 2.48 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 17 I 8.12 4.32 2.05 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 1.37 0.57 0.96 0.00 0.00 18 L 8.97 4.90 0.00 1.50 1.48 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.81 4.48 0.00 4.02 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 20 M 7.31 3.07 0.00 1.57 0.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 21 P 0.00 4.32 0.00 2.09 1.98 0.00 3.38 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 22 Q 7.21 4.37 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 23 A 8.06 3.06 0.01 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 24 R 7.51 3.90 0.00 2.01 2.10 0.00 2.47 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 25 N 7.97 4.33 0.00 2.82 2.82 0.00 0.00 6.86 7.73 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 26 F 7.92 4.04 0.00 3.34 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 27 C 9.00 4.33 0.00 3.27 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.62 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.79 4.07 0.00 3.92 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 30 A 7.94 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 6.57 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 0.00 0.00 0.00 32 G 8.52 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 33 Y 7.93 5.38 0.00 3.31 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.97 4.72 0.00 1.99 1.99 1.11 0.90 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 35 A 9.10 4.61 1.49 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 0.00 0.00 36 D 9.07 4.75 0.00 2.44 1.67 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 37 D 8.68 5.60 0.00 3.14 3.10 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 0.00 0.00 0.00 38 L 8.11 4.74 0.00 1.77 1.48 0.59 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 39 G 9.42 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 40 D 8.63 4.41 0.00 2.93 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 41 D 8.01 4.74 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.47 3.92 0.00 1.85 2.04 0.00 1.43 0.00 0.00 1.58 0.00 0.00 3.24 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.66 7.81 43 N 8.03 4.63 0.00 2.49 2.78 0.00 0.00 6.88 6.68 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 44 N 8.63 4.25 0.00 2.93 3.13 0.00 0.00 6.77 8.13 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 45 F 7.58 4.21 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 46 Y 7.25 3.68 0.00 2.93 2.53 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 47 S 7.99 4.12 0.00 4.05 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 48 S 7.62 4.10 0.00 3.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.20 3.71 1.62 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.33 0.58 0.00 0.00 50 A 8.10 4.61 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 51 A 7.36 4.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.81 4.25 0.00 2.89 2.93 0.00 0.00 6.95 7.55 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 53 T 8.30 4.68 4.26 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 1.22 0.00 0.00 54 Q 9.13 5.50 0.00 1.66 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.25 0.00 55 F 8.44 5.11 0.00 3.18 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 56 W 9.35 5.15 0.00 3.35 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 57 I 8.37 4.88 2.07 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.83 0.00 0.00 58 G 9.21 4.20 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 0.00 0.00 0.00 59 L 8.00 4.30 0.00 0.91 1.01 -0.75 -1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.82 5.20 0.00 3.08 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 61 K 8.87 4.15 0.00 1.30 1.62 0.00 1.54 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 0.81 7.81 62 N 8.87 4.90 0.00 2.65 2.69 0.00 0.00 6.37 6.89 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 63 S 8.62 4.11 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 64 D 8.23 4.41 0.00 2.72 2.78 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 65 G 7.22 3.76 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 0.00 0.00 0.00 66 Q 7.96 4.42 0.00 1.91 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 67 F 8.31 4.82 0.00 2.89 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 68 Y 8.15 4.59 0.00 1.85 2.67 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 69 W 8.70 5.23 0.00 3.29 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 70 D 9.34 4.95 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.90 4.06 0.00 1.81 1.79 0.00 3.31 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 72 G 8.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.60 4.27 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.62 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 74 G 9.06 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 0.00 0.00 0.00 75 I 7.55 3.70 1.97 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 1.63 1.03 0.95 0.00 0.00 76 N 8.64 4.47 0.00 2.74 2.83 0.00 0.00 7.03 8.04 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 77 P 0.00 4.83 0.00 2.27 2.31 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 78 D 8.58 5.14 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.52 3.71 0.00 1.51 1.45 0.77 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.55 4.40 0.00 1.36 1.64 1.25 1.18 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 81 N 8.59 5.10 0.00 2.86 2.85 0.00 0.00 6.33 7.43 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 82 Q 8.19 4.46 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.61 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 83 P 0.00 4.36 0.00 2.19 2.23 0.00 3.78 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 1.98 1.99 0.00 84 I 7.50 4.13 1.73 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 1.37 0.52 0.49 0.00 0.00 85 T 7.65 3.95 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 1.44 0.00 0.00 86 Y 5.37 4.32 0.00 1.43 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 0.00 0.00 0.00 87 W 7.88 4.69 0.00 3.21 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 88 A 8.96 4.34 1.47 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 0.00 0.00 89 N 8.67 4.17 0.00 2.86 2.92 0.00 0.00 6.23 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.91 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.60 4.19 0.00 2.40 2.23 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 2.44 2.71 0.00 92 P 0.00 4.19 0.00 2.00 0.49 0.00 3.18 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 0.00 93 S 7.91 4.51 0.00 4.36 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 94 N 8.37 4.96 0.00 2.71 2.76 0.00 0.00 6.88 8.00 0.00 0.00 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 D 7.89 4.81 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.40 0.00 2.17 2.17 0.00 3.76 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 1.99 1.95 0.00 97 T 7.96 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 98 R 7.48 4.74 0.00 2.00 2.03 0.00 3.16 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 99 Q 8.64 4.53 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 100 C 8.13 5.09 0.00 3.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.46 5.33 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 0.72 0.00 0.00 1.07 0.00 0.00 102 Y 8.48 5.09 0.00 2.52 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 0.00 0.00 0.00 103 F 8.68 3.92 0.00 2.61 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 0.00 0.00 0.00 104 D 8.23 4.73 0.00 2.59 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 0.00 105 G 8.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.45 4.05 0.00 2.02 2.07 0.00 3.28 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 107 S 8.47 4.06 0.00 3.97 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 0.00 108 G 8.89 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 0.00 109 D 7.98 4.58 0.00 2.71 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 0.00 110 K 8.62 4.02 0.00 1.87 1.99 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 111 S 7.92 4.56 0.00 3.98 4.03 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 0.00 112 K 7.92 4.79 0.00 1.66 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.35 1.35 7.81 113 V 7.58 3.69 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.07 0.00 0.00 114 W 7.50 4.40 0.00 3.29 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 0.00 115 T 7.88 5.01 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 1.22 0.00 0.00 116 T 8.39 5.09 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 1.58 0.00 0.00 117 D 9.64 4.99 0.00 3.10 2.89 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 0.00 118 T 8.61 4.38 4.32 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 1.33 0.00 0.00 119 C 8.75 4.61 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.65 4.30 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.12 4.14 4.47 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 1.20 0.00 0.00 122 P 0.00 4.61 0.00 2.13 2.15 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 123 R 8.86 4.87 0.00 1.15 1.28 0.00 2.21 0.00 0.00 2.59 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.34 0.00 124 P 0.00 5.10 0.00 2.11 2.23 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 125 F 8.00 5.57 0.00 3.34 3.45 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 0.00 126 I 8.62 4.82 2.01 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 0.33 1.05 0.00 0.00 127 C 9.01 5.35 0.00 3.13 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 0.00 128 Q 9.43 4.91 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 129 K 7.47 4.19 0.00 1.38 0.74 0.00 0.99 0.00 0.00 1.40 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.41 1.07 7.81 130 H 8.38 4.76 0.00 3.20 3.45 0.00 5.94 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.42 4.46 0.00 1.85 1.96 0.00 3.23 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 132 Y 7.94 4.32 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.31 4.73 0.00 2.48 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 0.00 0.00 0.00 0.00 134 S 8.27 4.71 0.00 3.88 3.71 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 0.00 135 D 8.50 4.57 0.00 2.55 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 0.00 136 H 7.98 4.87 0.00 3.11 3.14 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.98 4.56 0.00 1.69 1.65 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.33 7.81 138 P 0.00 4.43 0.00 2.24 2.17 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 139 N 7.50 4.88 0.00 2.67 2.70 0.00 0.00 7.01 7.71 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 0.00 140 T 8.67 4.05 4.25 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 1.24 0.00 0.00 141 I 7.24 3.31 1.88 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 1.25 0.44 0.92 0.00 0.00 142 G 7.86 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 0.00 143 D 8.38 4.49 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 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 0.00 145 S 8.57 4.78 0.00 3.97 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 0.00 146 G 8.12 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 0.00 0.00 0.00 0.00 147 P 0.00 4.49 0.00 2.19 2.06 0.00 3.72 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 1.98 1.98 0.00 148 S 8.33 4.83 0.00 3.84 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 0.00 149 S 8.43 4.55 0.00 3.91 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 0.00 150 G 8.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00