NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4420 8.3349 115.4129 57.7155 64.6600 173.8375 2 K 4.0547 8.1019 119.6293 57.3028 32.5365 175.2349 3 T 4.3011 8.3894 117.1000 64.7485 71.6173 174.7960 4 N 4.3239 8.0094 120.0108 53.2933 39.6425 173.5314 5 P 4.3094 0.0000 0.0000 65.4396 31.4501 178.9763 6 R 3.8567 8.4488 117.3041 59.2198 30.1064 178.5014 7 L 3.8901 8.1614 119.5630 58.4312 42.0626 178.5126 8 S 4.0488 8.1142 112.7194 61.6755 62.2230 176.2126 9 S 4.0929 8.2869 117.5205 61.5899 62.7114 176.3528 10 L 3.8666 8.4522 123.1307 58.5028 41.7135 179.1177 11 I 3.6889 7.8114 119.1305 64.3853 37.0530 178.2698 12 A 4.0105 7.8205 121.1353 55.1133 18.1515 179.4435 13 D 4.2176 8.2697 117.5715 57.6331 40.9689 178.6503 14 L 3.8328 8.2723 119.7188 58.6703 41.5589 179.3497 15 K 4.0685 8.3761 118.3758 58.5871 31.9431 179.1598 16 S 3.9922 8.5977 112.9819 61.7882 62.6633 176.8200 17 A 3.9720 8.3219 123.2037 55.0607 18.0046 179.1140 18 A 4.3733 7.9011 119.4499 54.8899 18.5124 179.8722 19 R 4.0334 8.0858 115.2802 60.2771 30.3442 178.8722 20 S 4.1241 8.2550 114.6550 60.6515 62.9361 176.0888 21 S 4.3740 7.8896 117.1703 58.9148 63.8038 174.9893 22 G 4.0767 8.5333 108.0072 45.8075 0.0000 174.3609 23 G 3.6209 7.9171 109.5533 45.2051 0.0000 174.8146 24 A 4.4001 8.0745 123.4821 52.8937 21.5146 178.9885 25 V 3.4580 7.3374 108.7842 64.3208 31.4294 178.6494 26 W 4.6518 7.5981 118.3993 59.8713 29.0714 178.6278 27 G 3.6972 8.0763 105.3130 47.3712 0.0000 175.3556 28 D 4.2938 8.3105 120.6595 57.4154 41.3614 178.5085 29 V 3.6426 8.8112 119.7603 65.8679 31.5815 177.6587 30 A 4.0318 8.2376 120.6072 55.4077 17.9859 179.5258 31 E 3.9894 7.9129 115.5548 59.3820 29.7544 179.1906 32 R 4.0809 7.9700 118.4473 59.1929 29.9089 178.5294 33 L 3.8044 7.8754 118.2487 57.4685 41.6626 178.9118 34 E 4.1711 7.9004 117.5103 57.8365 29.5733 177.6010 35 K 4.2913 7.0364 117.5468 54.8649 33.1061 174.8737 36 P 4.2593 0.0000 0.0000 63.0434 31.9736 177.8030 37 R 3.5095 8.6958 120.8018 59.2917 30.1693 179.2328 38 R 3.9122 7.9207 113.0951 58.9224 29.3829 177.4766 39 T 4.1725 7.6684 107.0498 62.7333 69.3913 174.5914 40 H 4.3953 7.8210 119.4400 55.7310 29.5075 174.2963 41 A 4.3760 8.1132 122.2192 51.7764 19.9245 176.7877 42 E 4.8963 8.7804 120.5751 54.4096 31.7218 174.4136 43 V 4.4357 8.6278 124.3439 60.9482 34.3152 174.4847 44 N 5.6875 8.5488 124.2668 51.4763 40.4185 175.9223 45 L 4.0906 8.8507 120.9599 58.1161 41.3759 179.9161 46 G 3.8433 7.7766 104.7299 48.0456 0.0000 175.3630 47 R 4.0382 7.8342 120.8020 59.0662 30.1991 178.2320 48 I 3.7529 7.9017 119.2211 64.7931 36.9080 177.6741 49 E 3.9455 8.1731 118.4221 59.3742 29.4247 178.5572 50 R 3.8932 7.8473 117.9974 58.2601 30.1457 176.3591 51 Y 4.7137 7.6153 111.9134 57.2854 39.4299 175.0724 52 A 4.5902 7.9053 123.8968 51.4452 20.3887 176.8883 53 Q 4.6297 8.1209 115.4541 54.6195 31.3127 174.2014 54 E 4.1008 8.7142 120.4326 58.2824 29.9754 176.3443 55 D 4.4339 8.9411 119.1117 55.1214 38.0941 174.0741 56 E 4.7820 7.6468 119.5668 53.7882 31.5254 174.3747 57 T 4.1124 8.6148 123.2594 64.2722 69.9123 173.1923 58 V 4.4056 9.1952 127.5369 62.2023 33.0003 174.6482 59 V 4.7039 9.0353 129.1874 61.3683 33.3556 174.3876 60 V 4.9550 9.1257 129.1150 59.0668 33.1038 174.1883 61 P 4.5865 0.0000 0.0000 61.2331 30.9872 175.0851 62 G 4.1461 7.3882 116.3330 47.3416 0.0000 175.1088 63 K 4.9788 9.7555 127.0935 54.2305 35.7253 174.0310 64 V 4.8410 8.3441 126.1660 61.4921 33.5199 174.6650 65 L 4.9882 9.5075 128.1928 52.5048 45.1972 176.2951 66 G 3.8999 8.4932 106.6867 46.9602 0.0000 173.5780 67 S 4.5021 8.1792 117.6789 58.7407 64.4014 175.2758 68 G 4.1080 9.0717 110.4559 44.5703 0.0000 171.9814 69 V 4.3476 7.9055 117.0468 60.6278 33.7054 174.5787 70 L 4.8434 8.4634 127.6943 53.5724 44.0585 175.2933 71 Q 4.4335 10.1200 126.1453 57.1146 30.3488 176.9711 72 K 3.9061 8.2146 115.5875 57.2884 32.7755 176.8379 73 D 5.4434 8.5075 122.9472 52.5098 40.1677 174.6616 74 V 4.8082 7.7624 115.1518 59.1806 35.9960 174.3802 75 T 4.8365 8.3986 120.0961 62.7458 70.0736 173.6970 76 V 4.9478 8.9456 126.8859 61.0175 34.3986 174.0271 77 A 5.9400 9.8679 129.1937 49.4905 21.4716 174.9492 78 A 5.0087 8.2581 122.6014 49.1238 22.8802 176.8450 79 V 3.5178 8.1354 119.2539 66.1742 32.0547 175.6662 80 D 4.5479 7.2156 116.5154 53.4324 44.4203 174.2186 81 F 5.4312 8.7460 120.7571 55.2998 42.6436 175.2952 82 S 4.3369 9.0853 117.0526 58.1663 64.1429 175.6426 83 G 3.6519 8.8787 107.4095 48.4660 0.0000 176.0982 84 T 3.9093 7.9536 117.7218 66.0328 68.4120 176.4212 85 A 4.0061 8.1602 122.6825 55.1794 18.4367 179.1520 86 E 3.5708 8.2411 117.6865 59.7005 29.4419 179.0255 87 T 3.7996 7.6628 114.1096 66.8271 68.3693 176.4335 88 K 4.0693 8.3431 120.4286 59.4330 31.9328 179.6823 89 I 3.7458 7.9659 120.2335 64.4743 37.0001 177.9934 90 D 4.5724 7.9254 117.4865 56.5672 40.6403 178.2864 91 Q 4.2187 7.5775 117.4057 57.7663 29.1582 176.8019 92 V 4.5768 7.4207 109.5573 60.6227 34.9030 174.3214 93 G 4.6073 8.0665 111.2437 44.9246 0.0000 174.6606 94 E 4.9332 9.4712 125.9530 54.5451 33.2701 173.0959 95 A 4.6922 8.7012 128.9930 50.7155 20.4570 176.6692 96 V 4.6284 9.0433 121.6444 60.9841 35.5948 174.8663 97 S 4.8647 8.8199 121.7157 57.9141 64.1043 174.9931 98 L 3.8561 8.3177 123.0331 58.2819 40.8742 179.7826 99 E 3.9597 7.7520 116.9193 59.3911 29.2869 179.6311 100 Q 3.7931 8.2879 118.0737 58.6823 28.9149 177.9237 101 A 3.9828 7.9424 121.2513 55.6722 18.1605 179.3581 102 I 2.8953 7.3595 116.7869 64.2557 37.0663 177.8975 103 E 4.1111 7.2048 118.6959 59.0941 29.8589 177.9633 104 N 4.6581 8.3881 114.0740 54.4578 40.2027 175.5177 105 N 5.0813 8.2126 118.2879 52.3388 40.5897 172.9358 106 P 4.6922 0.0000 0.0000 64.6056 32.0792 177.8193 107 E 4.2213 8.5371 117.4415 56.0484 30.4313 176.0296 108 G 3.4790 8.0931 107.9778 46.3666 0.0000 173.0340 109 S 4.6161 8.2020 111.1010 57.6857 66.1499 174.3051 110 H 4.0076 8.4657 116.8250 57.4467 25.9778 174.6149 111 V 4.7061 7.4763 116.2712 59.8386 34.6494 175.7314 112 R 4.5057 8.9232 124.3328 54.5613 32.1834 174.7052 113 V 4.5426 8.3832 127.0312 62.3822 32.3578 174.9472 114 I 4.7404 8.8868 129.2715 59.3656 40.5026 176.2387 115 R 4.1776 8.3269 121.4436 56.4721 29.4790 174.7880 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 8.33 4.44 0.00 3.99 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 2 K 8.10 4.05 0.00 1.85 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.39 4.30 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 1.21 0.00 0.00 4 N 8.01 4.32 0.00 2.75 2.72 0.00 0.00 7.23 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 5 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 6 R 8.45 3.86 0.00 1.91 1.96 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 7 L 8.16 3.89 0.00 1.75 1.83 0.91 0.84 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 8 S 8.11 4.05 0.00 3.94 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 9 S 8.29 4.09 0.00 4.02 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 10 L 8.45 3.87 0.00 1.66 1.90 0.82 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.81 3.69 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.52 0.91 0.00 0.00 12 A 7.82 4.01 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 13 D 8.27 4.22 0.00 2.80 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 14 L 8.27 3.83 0.00 1.79 1.98 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.38 4.07 0.00 2.03 1.79 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.60 3.99 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 17 A 8.32 3.97 1.43 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 0.00 0.00 0.00 18 A 7.90 4.37 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 19 R 8.09 4.03 0.00 1.81 2.02 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 20 S 8.25 4.12 0.00 3.94 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 21 S 7.89 4.37 0.00 4.26 3.88 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 22 G 8.53 4.08 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 0.00 0.00 0.00 23 G 7.92 3.62 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 0.00 0.00 0.00 24 A 8.07 4.40 1.18 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 0.00 0.00 25 V 7.34 3.46 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 0.62 0.00 0.00 -0.63 0.00 0.00 26 W 7.60 4.65 0.00 3.34 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 27 G 8.08 3.70 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 0.00 0.00 0.00 28 D 8.31 4.29 0.00 2.96 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 29 V 8.81 3.64 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 1.01 0.00 0.00 1.16 0.00 0.00 30 A 8.24 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.91 3.99 0.00 2.14 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 2.48 0.00 32 R 7.97 4.08 0.00 1.96 1.91 0.00 3.36 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 33 L 7.88 3.80 0.00 1.79 1.66 0.88 0.64 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 34 E 7.90 4.17 0.00 2.21 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 2.36 0.00 35 K 7.04 4.29 0.00 2.01 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.70 7.81 36 P 0.00 4.26 0.00 2.14 1.96 0.00 3.61 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 2.11 2.12 0.00 37 R 8.70 3.51 0.00 1.80 1.93 0.00 3.12 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 38 R 7.92 3.91 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.67 4.17 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 1.21 0.00 0.00 40 H 7.82 4.40 0.00 3.29 3.27 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.11 4.38 1.24 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 42 E 8.78 4.90 0.00 1.81 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 2.20 2.27 0.00 43 V 8.63 4.44 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 1.02 0.00 0.00 0.93 0.00 0.00 44 N 8.55 5.69 0.00 2.71 2.99 0.00 0.00 7.60 6.74 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 45 L 8.85 4.09 0.00 1.83 1.76 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.78 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 47 R 7.83 4.04 0.00 1.94 2.01 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 48 I 7.90 3.75 2.05 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 1.59 0.44 0.97 0.00 0.00 49 E 8.17 3.95 0.00 1.96 2.25 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 2.45 2.33 0.00 50 R 7.85 3.89 0.00 1.69 1.59 0.00 2.41 0.00 0.00 2.82 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 51 Y 7.62 4.71 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.91 4.59 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 53 Q 8.12 4.63 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 54 E 8.71 4.10 0.00 1.99 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 2.51 2.35 0.00 55 D 8.94 4.43 0.00 2.84 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 56 E 7.65 4.78 0.00 2.07 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 2.24 2.27 0.00 57 T 8.61 4.11 4.33 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 1.34 0.00 0.00 58 V 9.20 4.41 2.16 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.04 4.70 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 1.14 0.00 0.00 1.16 0.00 0.00 60 V 9.13 4.96 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 1.12 0.00 0.00 0.95 0.00 0.00 61 P 0.00 4.59 0.00 2.14 2.24 0.00 3.90 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 2.06 1.97 0.00 62 G 7.39 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 0.00 0.00 0.00 63 K 9.76 4.98 0.00 1.71 1.57 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.34 7.81 64 V 8.34 4.84 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 1.17 0.00 0.00 0.84 0.00 0.00 65 L 9.51 4.99 0.00 1.85 1.50 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.49 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 67 S 8.18 4.50 0.00 3.93 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 68 G 9.07 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 69 V 7.91 4.35 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.46 4.84 0.00 1.59 1.51 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.12 4.43 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 72 K 8.21 3.91 0.00 1.75 1.77 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.82 7.81 73 D 8.51 5.44 0.00 2.84 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 74 V 7.76 4.81 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 0.89 0.00 0.00 0.97 0.00 0.00 75 T 8.40 4.84 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 1.27 0.00 0.00 76 V 8.95 4.95 2.29 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 1.27 0.00 0.00 1.02 0.00 0.00 77 A 9.87 5.94 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 78 A 8.26 5.01 0.55 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 0.00 0.00 79 V 8.14 3.52 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 0.68 0.00 0.00 0.85 0.00 0.00 80 D 7.22 4.55 0.00 2.75 2.36 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 81 F 8.75 5.43 0.00 2.86 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 82 S 9.09 4.34 0.00 3.94 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 83 G 8.88 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 84 T 7.95 3.91 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 1.23 0.00 0.00 85 A 8.16 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.24 3.57 0.00 1.98 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 2.17 2.01 0.00 87 T 7.66 3.80 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 1.20 0.00 0.00 88 K 8.34 4.07 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.71 7.81 89 I 7.97 3.75 1.94 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 1.55 0.82 0.86 0.00 0.00 90 D 7.93 4.57 0.00 2.57 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 91 Q 7.58 4.22 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 92 V 7.42 4.58 2.25 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 0.74 0.00 0.00 0.99 0.00 0.00 93 G 8.07 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.47 4.93 0.00 2.03 1.74 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 2.16 2.23 0.00 95 A 8.70 4.69 0.48 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 96 V 9.04 4.63 2.17 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 1.01 0.00 0.00 0.95 0.00 0.00 97 S 8.82 4.86 0.00 4.17 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 98 L 8.32 3.86 0.00 1.65 1.62 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.75 3.96 0.00 2.06 1.95 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 2.28 2.33 0.00 100 Q 8.29 3.79 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.94 3.98 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 0.00 102 I 7.36 2.90 1.52 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.21 0.63 0.00 0.00 103 E 7.20 4.11 0.00 1.86 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 2.29 2.32 0.00 104 N 8.39 4.66 0.00 2.73 2.89 0.00 0.00 6.84 7.84 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 0.00 105 N 8.21 5.08 0.00 2.87 2.97 0.00 0.00 6.81 7.27 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 0.00 106 P 0.00 4.69 0.00 2.31 2.30 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 107 E 8.54 4.22 0.00 2.01 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 2.31 2.39 0.00 108 G 8.09 3.48 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 0.00 109 S 8.20 4.62 0.00 4.02 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 0.00 110 H 8.47 4.01 0.00 3.36 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.48 4.71 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 0.45 0.00 0.00 0.87 0.00 0.00 112 R 8.92 4.51 0.00 2.07 1.83 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 113 V 8.38 4.54 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 0.87 0.00 0.00 0.88 0.00 0.00 114 I 8.89 4.74 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.98 0.00 0.00 115 R 8.33 4.18 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00