NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2936 8.3344 115.2780 58.2168 64.5114 173.7744 5 V 3.5569 7.3807 130.2176 60.9765 30.6362 170.9772 6 V 3.8144 8.8882 128.0987 62.8989 32.9776 174.0729 7 K 4.7236 8.0981 120.9740 55.0463 36.1586 176.5721 8 S 4.4156 8.6064 114.4142 61.9332 63.0636 176.5402 9 E 4.1701 8.0201 114.4249 56.8631 29.1285 176.8693 10 D 4.5245 7.8996 118.2885 55.3189 41.2987 177.7171 11 Y 4.0910 7.3326 117.8567 59.7510 37.8217 177.2691 12 A 4.2901 7.1793 120.4372 52.5016 19.0803 176.6453 13 L 4.7094 7.4062 115.8681 51.7079 43.9414 174.7716 14 P 4.3363 0.0000 0.0000 63.0158 31.6771 175.9852 15 S 4.8389 8.3113 115.6196 56.3898 66.2211 172.2884 16 Y 4.4176 8.3925 121.3250 56.5153 39.5397 174.9136 17 V 4.3200 7.1260 118.4915 59.6898 35.6002 174.9874 18 D 4.6431 8.5652 123.6357 53.0002 40.7007 176.1846 19 R 4.6047 7.8950 122.6312 54.0110 34.1608 176.8061 20 R 3.6862 8.7672 121.7723 59.3579 30.1602 177.3122 21 D 4.7896 8.0129 113.7239 53.7475 38.9567 176.2968 22 Y 4.8408 7.9193 120.9647 55.9591 39.0390 173.6634 23 P 4.5169 0.0000 0.0000 64.7905 32.1544 177.3501 24 L 4.6628 6.5870 117.1367 51.4988 41.0842 174.2338 25 P 4.5690 0.0000 0.0000 62.2028 32.0774 176.7054 26 D 4.5764 8.6715 119.0603 56.7449 41.0254 177.2370 27 V 4.5377 7.4147 109.7842 58.7786 35.6217 175.0242 28 A 4.2062 8.3906 124.5243 52.4065 18.8706 177.5413 29 H 3.6420 8.6364 121.4679 58.0031 29.9931 175.8076 30 V 4.0969 7.4128 119.2810 60.8431 32.3801 174.7383 31 K 4.1921 8.6090 126.3160 57.2484 33.8666 176.0079 32 N 4.5921 7.9111 116.5922 51.5365 37.8483 173.9726 33 L 4.2490 8.1765 124.2138 53.4042 42.5911 178.1954 34 S 4.2504 8.6563 118.9566 58.6859 64.5223 175.2944 35 A 4.0541 8.4646 124.0024 55.0805 18.1614 180.2788 36 S 4.0803 7.9944 112.6749 61.5962 63.2541 176.4404 37 Q 3.9771 7.7405 121.3046 58.8189 28.3313 179.0896 38 K 3.9347 8.1410 119.0006 59.3933 31.9449 179.3100 39 A 3.9933 7.8026 121.1120 54.9754 18.4785 179.1602 40 L 3.8878 7.9344 118.8988 58.5657 41.9399 179.4727 41 K 4.1584 7.9154 116.1102 58.7598 32.2978 178.8938 42 E 4.1706 7.8085 119.5943 59.0988 29.5046 178.7822 43 K 3.9900 8.2379 119.8429 59.4253 32.0145 177.8429 44 E 4.4300 7.9895 117.0654 57.7944 29.7009 177.9240 45 K 4.2642 7.9861 116.4669 57.7717 32.5479 176.5791 46 A 4.4225 7.5525 122.2644 50.0247 20.5275 176.5715 47 S 3.9378 8.4161 112.9545 58.9925 62.7883 175.3333 48 W 4.7158 8.5401 126.3299 59.2455 29.2992 178.5378 49 S 4.2580 8.2656 113.7343 61.4861 62.2890 175.1646 50 S 4.4972 7.9137 113.7191 58.8045 62.7198 173.9047 51 L 4.8160 7.6517 120.9014 53.4581 43.4751 176.5566 52 S 4.7927 8.9625 116.2033 56.8744 66.2840 175.5346 53 I 3.6101 8.1051 123.7974 65.0689 36.9798 178.1525 54 D 4.3632 8.0861 118.7663 57.0994 40.6916 178.4970 55 E 4.0633 7.8234 118.3277 58.8805 29.5181 179.2543 56 K 3.8617 8.4759 119.0977 59.5765 32.1616 179.5520 57 V 3.6394 8.0007 118.5952 65.9400 31.5030 177.6796 58 E 3.9917 8.2279 119.1595 59.1442 29.2291 178.8050 59 L 4.0059 7.9962 119.2855 57.7389 41.6181 178.8608 60 Y 4.1400 7.9725 119.1404 60.8692 38.6442 178.0822 61 R 4.4962 8.1272 118.4249 57.8575 30.4977 178.6831 62 L 4.0517 7.7219 119.4473 57.5467 41.5535 179.0443 63 K 3.7178 7.4547 119.1234 56.9802 32.4385 176.4961 64 F 5.1449 7.4690 116.9634 55.1344 41.7277 174.8292 65 K 3.7494 8.2151 127.3803 57.2576 32.5894 176.2792 66 E 5.0057 8.8447 120.7460 54.6296 31.9906 176.9786 67 S 5.3328 8.6037 118.1627 57.3896 65.5513 175.4524 68 F 3.6722 9.0711 121.0103 60.7447 38.4118 177.8603 69 A 4.0998 8.0158 119.1474 54.9974 18.5617 179.1860 70 E 4.0760 8.2662 117.3857 59.8700 29.4636 179.4947 71 M 4.2196 8.6452 116.1871 57.9916 31.1721 177.2015 72 N 4.7057 7.8380 115.1227 52.1219 39.4676 175.5488 73 R 4.1028 7.2952 118.0825 56.0433 30.1717 176.5664 74 S 4.6452 8.3482 114.5395 57.5800 64.6417 172.8629 75 T 4.7314 8.1013 110.2866 59.8280 71.6503 173.9403 76 N 4.6701 8.4791 116.8264 53.3349 38.5861 176.4890 77 E 3.9024 7.9302 123.7522 59.3850 29.5772 178.8649 78 W 4.3190 8.3697 115.9010 59.3505 27.8483 178.4859 79 K 3.1348 7.2416 119.3351 59.3136 31.4491 178.9893 80 T 3.7859 7.6648 115.4828 66.8131 68.3780 176.3212 81 V 3.6084 8.0021 119.8855 66.2550 31.6101 178.3062 82 V 3.8413 8.5733 118.3908 65.7107 31.2858 178.3018 83 G 3.5083 8.4654 105.6855 47.7550 0.0000 175.3020 84 A 4.0865 8.1929 123.8203 54.9584 18.2861 179.5124 85 A 4.1784 8.2444 118.9803 55.7836 18.4535 179.8117 86 M 4.0611 8.2155 117.1869 58.3658 31.9639 178.6350 87 F 3.9516 8.5342 121.0526 61.5287 39.5913 177.3359 88 F 4.1678 8.4763 117.2635 60.4443 38.4412 177.8609 89 I 3.9622 8.2096 119.5894 64.0180 37.1656 178.3103 90 G 3.6272 8.3228 107.1902 47.7428 0.0000 175.3138 91 F 3.8540 8.0439 123.8160 61.3400 39.4158 177.1915 92 T 3.7351 8.0790 114.9313 66.6835 68.2101 176.3209 93 A 4.0197 7.9509 122.3978 54.7258 18.3056 179.6903 94 L 3.8559 7.5499 117.9690 57.9685 41.6587 179.6573 95 L 3.9534 7.3762 118.3872 57.5795 41.6855 179.3744 96 L 4.1041 7.8306 118.9347 57.6191 41.6334 179.5519 97 I 3.7251 7.8378 119.9787 64.0829 37.0590 178.0901 98 W 4.1900 8.3887 129.2637 60.6149 30.4077 177.6422 99 E 3.9630 8.5342 119.2134 59.0761 28.8724 178.6646 100 K 4.0785 7.8103 118.6102 59.4666 32.3091 177.8308 101 H 4.1816 7.7067 117.0216 58.5944 30.1809 176.1016 102 Y 4.1904 7.4121 115.7712 57.9840 38.1672 176.2352 103 V 3.9881 7.0340 117.4548 64.2134 33.3559 175.4909 104 Y 4.5165 7.6556 117.3262 57.5519 38.1859 176.5261 105 G 3.9043 8.5017 114.1115 44.1143 0.0000 171.0092 106 P 4.4667 0.0000 0.0000 61.9426 32.1916 175.8592 107 I 4.0260 7.7620 113.0192 59.1182 38.5828 173.7050 108 P 4.4020 0.0000 0.0000 62.9129 31.8823 177.3178 109 H 4.3528 8.4720 114.7015 57.7793 28.7668 177.0745 110 T 2.8588 7.0267 109.1833 62.7473 68.6454 174.8633 111 F 4.4482 7.4398 119.8745 58.1470 39.7334 176.6446 112 E 4.1740 7.9485 121.2799 56.3206 31.1693 177.3877 113 E 4.0253 8.9403 122.5708 59.4138 29.6430 179.1376 114 E 3.8997 8.1911 118.8452 58.9632 29.9583 177.9100 115 W 4.0698 8.4306 128.0666 60.8034 30.5223 177.7691 116 V 3.6623 8.4264 117.9093 66.0918 30.4603 177.7563 117 A 4.0414 8.1535 120.4313 55.0479 18.0849 179.8228 118 K 3.8407 7.9348 116.9548 59.3371 32.1483 179.1441 119 Q 3.8277 8.3373 120.1302 59.7780 28.9372 178.8882 120 T 3.9722 8.3093 116.8193 66.2183 68.3852 176.7023 121 K 3.6793 7.5207 120.7036 59.2713 32.2254 178.8321 122 R 3.8926 8.0684 119.1696 59.6417 29.9091 178.2721 123 M 4.0247 8.3116 118.7582 58.4721 31.9624 178.7201 124 L 4.0981 7.9836 119.0097 57.9991 41.4955 179.3869 125 D 4.5086 8.3785 118.4904 56.7571 40.7717 177.5820 126 M 4.3290 8.1596 115.6456 53.9069 32.1007 175.9839 127 K 4.0795 8.0160 117.2543 55.7140 30.5673 176.0096 128 V 3.3646 7.8590 117.3319 64.6481 32.5328 175.1025 129 A 3.8808 8.6683 130.3479 52.8359 15.3772 175.3349 130 P 4.8212 0.0000 0.0000 62.9912 32.9785 178.1926 131 I 4.1430 7.8137 119.7719 63.8294 37.6819 176.3600 132 Q 4.5230 7.9894 113.9639 57.1948 33.6065 176.3544 133 G 3.8384 8.3127 105.4739 47.6237 0.0000 173.1346 134 F 4.6966 8.1229 120.4415 59.1135 42.3778 176.2768 135 S 4.2684 9.2395 117.8872 61.3597 63.3844 176.7437 136 A 4.1437 8.3162 122.1185 54.5542 18.2537 177.9353 137 K 4.4846 8.5405 114.4844 55.9103 32.6193 175.5417 138 W 4.7299 7.8934 129.5866 55.2178 32.3945 174.5729 139 D 4.3942 7.7188 125.7004 53.1120 40.4763 176.6019 140 Y 4.0965 8.3469 125.1915 60.4457 38.0200 176.1903 141 D 4.5086 7.4898 120.6222 55.8693 41.5445 177.7621 142 K 3.7315 8.2039 122.7496 57.5781 32.9408 176.4008 143 N 3.8538 7.4997 116.8112 53.4676 37.9935 172.6562 144 E 3.8188 6.3027 112.7853 53.7914 33.9139 175.2232 145 W 4.7644 8.0458 120.2652 57.0951 29.7245 176.3286 146 K 3.8743 8.9888 124.5764 56.8229 32.1446 177.3470 147 K 4.1490 8.5772 123.1905 56.7137 32.1464 176.7886 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 4 S 8.33 4.29 0.00 3.74 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 5 V 7.38 3.56 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 0.78 0.00 0.00 0.91 0.00 0.00 6 V 8.89 3.81 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 0.93 0.00 0.00 0.96 0.00 0.00 7 K 8.10 4.72 0.00 1.82 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 8 S 8.61 4.42 0.00 3.92 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 9 E 8.02 4.17 0.00 1.86 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 2.18 2.22 0.00 10 D 7.90 4.52 0.00 2.99 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 11 Y 7.33 4.09 0.00 3.01 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 12 A 7.18 4.29 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 13 L 7.41 4.71 0.00 1.71 1.57 0.88 0.95 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 14 P 0.00 4.34 0.00 2.06 2.02 0.00 3.62 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 2.04 2.09 0.00 15 S 8.31 4.84 0.00 3.98 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 16 Y 8.39 4.42 0.00 3.02 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 17 V 7.13 4.32 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 0.74 0.00 0.00 0.89 0.00 0.00 18 D 8.57 4.64 0.00 2.69 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 19 R 7.90 4.60 0.00 1.84 1.94 0.00 3.25 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 20 R 8.77 3.69 0.00 1.82 2.12 0.00 3.30 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 21 D 8.01 4.79 0.00 2.86 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 22 Y 7.92 4.84 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.52 0.00 2.28 2.42 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 24 L 6.59 4.66 0.00 1.47 1.63 0.94 1.17 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 25 P 0.00 4.57 0.00 1.88 1.75 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.04 0.00 26 D 8.67 4.58 0.00 2.73 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 27 V 7.41 4.54 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 0.76 0.00 0.00 1.05 0.00 0.00 28 A 8.39 4.21 1.14 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 29 H 8.64 3.64 0.00 2.26 3.26 0.00 5.90 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 30 V 7.41 4.10 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 0.79 0.00 0.00 0.70 0.00 0.00 31 K 8.61 4.19 0.00 1.85 1.86 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.40 7.81 32 N 7.91 4.59 0.00 2.67 2.81 0.00 0.00 6.94 7.85 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 33 L 8.18 4.25 0.00 1.61 1.59 0.90 0.90 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 34 S 8.66 4.25 0.00 4.03 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 35 A 8.46 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.99 4.08 0.00 4.06 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 37 Q 7.74 3.98 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 K 8.14 3.93 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 39 A 7.80 3.99 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 40 L 7.93 3.89 0.00 1.90 1.92 0.93 0.27 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 41 K 7.92 4.16 0.00 1.91 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.61 7.81 42 E 7.81 4.17 0.00 2.11 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 2.47 2.46 0.00 43 K 8.24 3.99 0.00 1.98 1.96 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 7.99 4.43 0.00 2.11 2.20 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 2.61 2.49 0.00 45 K 7.99 4.26 0.00 1.84 1.87 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.80 7.81 46 A 7.55 4.42 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 47 S 8.42 3.94 0.00 3.80 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 48 W 8.54 4.72 0.00 3.51 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 49 S 8.27 4.26 0.00 3.90 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 50 S 7.91 4.50 0.00 4.04 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 51 L 7.65 4.82 0.00 1.93 1.61 1.00 0.87 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 52 S 8.96 4.79 0.00 4.00 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 53 I 8.11 3.61 1.87 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 1.64 0.83 0.90 0.00 0.00 54 D 8.09 4.36 0.00 2.69 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 55 E 7.82 4.06 0.00 2.17 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 2.33 2.35 0.00 56 K 8.48 3.86 0.00 1.96 1.81 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.41 7.81 57 V 8.00 3.64 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 1.01 0.00 0.00 0.92 0.00 0.00 58 E 8.23 3.99 0.00 2.32 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 2.32 2.36 0.00 59 L 8.00 4.01 0.00 1.92 1.65 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.97 4.14 0.00 3.14 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.13 4.50 0.00 1.90 2.06 0.00 3.47 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 62 L 7.72 4.05 0.00 1.86 1.62 0.88 0.30 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 63 K 7.45 3.72 0.00 1.45 1.18 0.00 1.13 0.00 0.00 1.33 0.00 0.00 2.87 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.48 0.21 7.81 64 F 7.47 5.14 0.00 2.60 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 65 K 8.22 3.75 0.00 1.05 1.96 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.23 7.81 66 E 8.84 5.01 0.00 2.07 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 2.29 2.45 0.00 67 S 8.60 5.33 0.00 4.10 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.07 3.67 0.00 3.11 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.02 4.10 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 70 E 8.27 4.08 0.00 2.27 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 2.35 2.34 0.00 71 M 8.65 4.22 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 72 N 7.84 4.71 0.00 2.85 2.92 0.00 0.00 7.02 6.96 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 73 R 7.30 4.10 0.00 1.96 1.96 0.00 3.08 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 74 S 8.35 4.65 0.00 4.05 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 75 T 8.10 4.73 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 1.25 0.00 0.00 76 N 8.48 4.67 0.00 2.71 2.72 0.00 0.00 6.40 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.93 3.90 0.00 2.03 2.05 0.00 0.00 0.00 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 78 W 8.37 4.32 0.00 3.71 3.37 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 79 K 7.24 3.13 0.00 1.45 1.40 0.00 1.26 0.00 0.00 1.25 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.66 3.79 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 1.19 0.00 0.00 81 V 8.00 3.61 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 1.07 0.00 0.00 1.00 0.00 0.00 82 V 8.57 3.84 2.32 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 1.09 0.00 0.00 1.17 0.00 0.00 83 G 8.47 3.51 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 0.00 0.00 0.00 84 A 8.19 4.09 1.57 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 0.00 0.00 85 A 8.24 4.18 1.52 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 0.00 0.00 86 M 8.22 4.06 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 87 F 8.53 3.95 0.00 3.14 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 88 F 8.48 4.17 0.00 3.43 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 89 I 8.21 3.96 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.93 0.00 0.00 90 G 8.32 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 0.00 0.00 0.00 91 F 8.04 3.85 0.00 2.70 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.08 3.74 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 93 A 7.95 4.02 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 94 L 7.55 3.86 0.00 1.33 1.55 0.89 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.38 3.95 0.00 1.69 1.61 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.83 4.10 0.00 1.89 1.73 0.93 0.68 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 97 I 7.84 3.73 2.02 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 1.40 1.35 0.89 0.00 0.00 98 W 8.39 4.19 0.00 3.48 3.42 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 99 E 8.53 3.96 0.00 2.37 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 1.65 2.09 0.00 100 K 7.81 4.08 0.00 1.89 1.99 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.48 7.81 101 H 7.71 4.18 0.00 2.98 3.07 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.41 4.19 0.00 1.47 2.20 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 0.00 103 V 7.03 3.99 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 0.69 0.00 0.00 0.85 0.00 0.00 104 Y 7.66 4.52 0.00 3.12 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.50 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 0.00 106 P 0.00 4.47 0.00 2.17 2.03 0.00 3.75 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 1.96 1.93 0.00 107 I 7.76 4.03 1.60 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 1.30 0.57 0.61 0.00 0.00 108 P 0.00 4.40 0.00 2.28 1.95 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 109 H 8.47 4.35 0.00 3.41 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.03 2.86 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 0.11 0.00 0.00 111 F 7.44 4.45 0.00 3.02 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 0.00 112 E 7.95 4.17 0.00 2.17 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 0.00 2.39 2.38 0.00 113 E 8.94 4.03 0.00 2.09 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 2.43 2.44 0.00 114 E 8.19 3.90 0.00 2.14 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 2.39 2.38 0.00 115 W 8.43 4.07 0.00 3.57 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.43 3.66 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.12 0.00 0.00 117 A 8.15 4.04 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 0.00 118 K 7.93 3.84 0.00 1.61 1.54 0.00 1.49 0.00 0.00 1.26 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.42 7.81 119 Q 8.34 3.83 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 120 T 8.31 3.97 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 1.48 0.00 0.00 121 K 7.52 3.68 0.00 1.74 1.94 0.00 1.34 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.38 7.81 122 R 8.07 3.89 0.00 1.81 1.96 0.00 3.07 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 123 M 8.31 4.02 0.00 1.96 2.29 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 124 L 7.98 4.10 0.00 1.46 1.26 -0.85 0.58 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 0.00 125 D 8.38 4.51 0.00 2.72 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 0.00 126 M 8.16 4.33 0.00 2.14 2.15 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 2.55 2.86 0.00 127 K 8.02 4.08 0.00 1.93 1.96 0.00 1.56 0.00 0.00 1.30 0.00 0.00 2.34 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.47 1.24 7.81 128 V 7.86 3.36 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 0.84 0.00 0.00 0.90 0.00 0.00 129 A 8.67 3.88 1.52 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 0.00 0.00 130 P 0.00 4.82 0.00 2.28 2.40 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 131 I 7.81 4.14 1.92 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 1.45 0.47 0.95 0.00 0.00 132 Q 7.99 4.52 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 133 G 8.31 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.12 4.70 0.00 3.15 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 0.00 135 S 9.24 4.27 0.00 4.20 4.31 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 0.00 136 A 8.32 4.14 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 0.00 137 K 8.54 4.48 0.00 2.08 1.95 0.00 1.75 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.40 7.81 138 W 7.89 4.73 0.00 2.91 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 0.00 139 D 7.72 4.39 0.00 2.34 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 0.00 0.00 0.00 140 Y 8.35 4.10 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.49 4.51 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.20 3.73 0.00 1.69 1.69 0.00 1.95 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.30 7.81 143 N 7.50 3.85 0.00 2.74 2.71 0.00 0.00 6.91 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 0.00 144 E 6.30 3.82 0.00 1.74 1.64 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 1.82 2.03 0.00 145 W 8.05 4.76 0.00 3.20 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 0.00 146 K 8.99 3.87 0.00 1.79 1.79 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.38 7.81 147 K 8.58 4.15 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.40 7.81