NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6455 0.0000 0.0000 62.6763 32.6709 174.6463 2 I 4.0250 8.1581 119.0554 60.0407 38.1475 170.6107 3 V 4.5323 8.3411 118.9137 59.7555 35.3760 175.3039 4 D 5.0484 8.3906 119.2509 53.0981 40.0612 175.0851 5 T 4.8071 7.4337 114.1265 63.5939 73.6622 176.8466 6 G 3.8999 8.8604 113.4960 46.6474 0.0000 176.2633 7 S 4.6364 8.3836 117.0548 56.7870 65.1945 172.7919 8 V 4.4590 7.8507 115.2752 58.9766 35.2517 175.7197 9 A 4.1347 8.4165 125.6101 51.3920 18.9023 175.9217 10 P 4.3713 0.0000 0.0000 62.5126 32.0327 176.5000 11 L 4.3385 8.1765 121.0993 54.5738 42.4299 177.8286 12 S 4.5189 9.6247 118.7250 57.4279 65.7438 175.1462 13 A 3.9346 8.6664 124.9366 55.5856 18.0509 180.1229 14 A 3.9248 7.9142 118.3816 55.3892 18.5657 179.4909 15 E 3.9260 8.1309 117.0531 59.5075 29.4759 179.5771 16 K 3.8911 8.2939 118.7374 59.9921 32.2914 179.3726 17 T 3.8838 7.8239 115.4312 66.5948 68.2834 176.7612 18 K 4.0014 8.0039 120.0823 59.4912 32.0392 179.3480 19 I 3.8455 7.9866 119.9531 64.7033 37.0563 178.4665 20 R 4.0974 8.2935 118.9728 59.6209 29.6658 179.3674 21 S 4.1222 7.8928 113.0452 61.7472 63.0525 176.3452 22 A 4.1218 8.1128 122.1772 54.7229 18.2933 179.3288 23 W 4.3555 9.1267 127.3243 61.0859 30.9422 178.6705 24 A 3.9615 8.3475 120.9013 54.4800 17.8614 177.6998 25 P 4.1212 0.0000 0.0000 65.6586 31.6585 178.6743 26 V 3.5424 7.6096 116.9560 66.1953 31.1595 177.5105 27 Y 3.9581 7.0918 117.3487 60.4893 38.7567 177.2901 28 S 4.2324 7.7630 115.6868 60.8047 63.7130 174.7633 29 T 4.5177 7.6475 112.6599 59.3436 68.7529 175.2926 30 Y 4.1735 7.7004 121.8237 60.9533 37.6817 177.1514 31 E 3.7861 7.3077 120.2924 59.8987 29.5844 179.0551 32 T 3.9420 7.6907 114.9406 66.4140 68.7836 176.7553 33 S 4.2015 8.0659 117.0722 61.8886 63.0030 177.1702 34 G 3.8749 8.4825 108.3193 48.0467 0.0000 175.6339 35 V 3.6202 7.4512 119.5482 65.6536 31.5754 177.5885 36 D 4.3653 8.1590 118.5022 57.5719 40.6499 178.7074 37 I 3.7456 7.8490 119.9680 64.6375 37.1291 178.1731 38 L 4.1238 8.0648 120.7953 58.3271 41.9139 179.2111 39 V 3.5722 8.3092 118.6455 65.6212 31.4571 177.9494 40 K 3.9454 8.6456 119.8679 59.4558 32.0164 178.3208 41 F 4.2259 8.6156 121.2408 61.4298 39.0818 176.8076 42 F 3.6544 8.3180 118.9682 61.4710 39.3074 176.9123 43 T 3.9408 8.0038 108.2098 64.1144 68.6241 175.5341 44 S 4.5993 7.6494 113.9893 57.9737 65.2211 174.6343 45 T 4.4838 6.9695 119.2412 60.0942 68.9278 172.1454 46 P 4.3690 0.0000 0.0000 64.8615 31.6297 177.6252 47 A 4.1327 8.0449 117.0951 54.6695 18.4422 178.2722 48 A 4.3590 7.4507 116.8217 52.2902 19.6379 178.7331 49 Q 4.0992 8.3226 118.3090 58.5603 28.5093 178.0364 50 E 4.1832 8.1083 115.7548 57.9921 29.7563 177.2431 51 F 4.3579 8.2090 117.5138 58.1350 39.6734 176.4349 52 F 4.4571 8.0401 121.1388 54.3362 38.2315 174.0015 53 P 4.2733 0.0000 0.0000 65.4844 31.5921 178.7358 54 K 4.2631 7.8751 114.9823 58.2264 32.3244 177.3398 55 F 4.9697 8.1337 117.4456 56.8500 39.2712 175.7542 56 K 4.1770 7.7303 121.1687 58.2861 32.2432 175.8725 57 G 4.0951 9.1706 110.9188 45.5849 0.0000 173.5853 58 L 4.2990 7.8201 120.2158 54.3818 41.8277 175.9932 59 T 4.5294 8.5369 113.3327 63.0734 70.8200 175.0568 60 T 4.1375 7.6023 111.3492 60.6960 69.9920 174.9542 61 A 4.1925 8.4112 123.8063 53.6862 18.2485 179.4255 62 D 4.2988 7.7758 116.2854 57.0549 41.8511 177.7241 63 Q 4.0816 8.1602 118.5986 58.9827 28.7669 178.4521 64 L 3.6580 7.3906 119.9631 58.0501 41.5726 179.8827 65 K 4.0415 7.3670 114.5455 58.1712 32.0246 178.2795 66 K 4.3629 7.8991 117.7641 55.6380 33.5913 176.8466 67 S 4.3020 7.5524 115.1032 57.6595 63.8856 174.6296 68 A 4.1367 8.5905 130.3934 55.0229 18.3996 179.4371 69 D 4.5837 7.9620 118.0551 57.4273 40.8229 179.0482 70 V 3.5915 7.6637 118.4393 65.9147 31.5551 178.1410 71 R 3.9910 7.9224 117.4579 58.9510 29.9577 178.7609 72 W 4.7752 8.4606 128.0824 60.9974 30.7944 177.3017 73 H 3.8810 8.4194 117.5027 59.4171 29.3693 177.0618 74 A 4.1681 8.6059 122.8106 55.2432 18.0516 179.4954 75 E 4.2037 8.7790 117.7032 59.5087 29.5170 179.8426 76 R 3.7164 7.8547 118.2133 59.0902 30.2141 178.8371 77 I 3.6492 7.6031 119.4678 64.7711 37.2949 178.3779 78 I 3.9761 7.8595 120.2667 64.7824 36.8882 178.0405 79 N 4.5254 8.1087 116.7806 55.5627 38.5869 177.3866 80 A 3.9507 7.8976 122.6241 54.9487 18.3320 179.8914 81 V 3.3059 7.6959 116.4243 66.1121 31.6441 177.6742 82 N 4.0703 8.0682 116.5875 56.7978 38.3982 176.4986 83 D 4.2226 8.0780 119.6343 57.0817 41.2187 178.2116 84 A 3.9684 7.5615 120.9587 55.2830 18.0353 179.5437 85 V 3.3054 7.5829 116.5544 66.3370 31.1834 177.9621 86 A 4.0890 7.6917 118.5454 53.9468 18.4776 178.6267 87 S 4.5535 8.0847 112.8975 58.4474 63.0510 175.6451 88 M 4.0034 7.4352 122.8238 58.3036 31.8656 177.3574 89 D 4.5559 7.9460 116.4001 55.2257 41.9893 176.0872 90 D 4.8197 7.9858 119.8372 51.4782 40.7239 175.6775 91 T 3.8572 7.9719 117.5791 64.5125 67.3594 174.7552 92 E 3.8780 8.1502 120.1717 59.2643 29.6932 178.8929 93 K 3.8794 7.9611 119.4242 59.7297 32.4109 178.2147 94 M 3.9185 7.8860 118.3836 58.9394 31.9508 178.3048 95 S 4.0187 7.8415 114.6966 61.8035 63.2069 176.1606 96 M 3.9405 7.6956 121.2309 58.6879 31.8147 178.9461 97 K 3.8868 7.8659 117.8413 59.7219 32.3156 179.4427 98 L 3.9516 7.7824 118.6692 57.8795 41.6405 179.9074 99 R 4.0479 8.6668 118.4197 59.0785 30.0260 178.6706 100 D 4.2684 7.9757 117.7244 57.1885 41.3801 178.0440 101 L 4.0044 7.8796 120.9396 57.9550 42.0250 178.8692 102 S 4.1793 8.5936 113.7371 61.2455 62.3054 176.2401 103 G 3.5428 7.8052 107.8578 47.8774 0.0000 175.5704 104 K 3.5360 7.7223 120.7493 59.3700 32.0713 179.1851 105 H 4.3900 8.1585 115.6531 58.7802 28.4537 177.7871 106 A 3.5846 7.5907 121.6516 54.5358 18.2395 179.2041 107 K 4.0672 7.9750 115.8294 57.8948 32.6255 178.1236 108 S 4.4312 7.3185 113.0191 60.2490 63.8863 175.4878 109 F 4.6594 7.3690 116.6160 58.1125 39.2259 175.5918 110 Q 3.5111 7.9898 118.2491 56.8021 26.1780 174.0446 111 V 4.1230 7.7362 109.1065 59.9565 32.8960 176.3738 112 D 4.2359 7.0931 123.1422 53.5411 41.6408 175.2678 113 P 3.0659 0.0000 0.0000 63.9573 31.3634 178.0198 114 Q 3.8329 7.5160 117.1855 58.6264 28.8088 177.2113 115 Y 4.3564 6.9471 115.1308 58.8275 38.0858 177.2500 116 F 4.4897 7.2207 119.0677 60.6954 39.1116 177.5872 117 K 4.1211 8.0728 117.4792 59.4518 32.1431 179.3616 118 V 3.6416 7.6484 119.4826 66.0248 31.6819 177.6270 119 L 3.7918 8.1404 120.0254 57.8119 41.7892 178.6708 120 A 4.0313 8.1790 120.7060 54.9100 18.1581 179.4589 121 A 4.0137 7.9731 119.5314 55.3524 18.4510 180.0811 122 V 3.6462 7.5480 115.5740 66.1560 31.5544 178.2982 123 I 3.8520 7.9903 119.4376 64.4047 36.9400 178.3271 124 A 4.4672 8.4089 121.6159 55.4646 18.1107 179.2640 125 D 4.3320 8.4542 115.5772 57.2963 41.2701 178.0925 126 T 4.2164 7.7408 115.5920 66.0856 68.9685 176.9129 127 V 3.7511 7.9798 119.0391 65.1730 33.1795 176.5860 128 A 4.4042 8.0040 117.8536 50.4593 20.7579 175.3467 129 A 4.1667 7.8761 123.5414 53.7974 19.2156 176.5819 130 G 4.1502 9.1168 110.9606 46.0153 0.0000 174.2510 131 D 4.3889 8.2078 119.5060 54.3705 42.2037 176.9497 132 A 4.2683 8.7901 129.0141 54.8378 18.5172 179.6032 133 G 3.5869 8.0959 104.1665 48.0482 0.0000 175.6208 134 F 4.1174 8.6920 123.0238 60.8282 39.4360 177.1405 135 E 4.0356 7.9541 117.3886 58.8358 29.0651 179.4743 136 K 3.9833 7.7128 118.4299 59.2307 32.1018 178.7617 137 L 3.7300 7.2888 120.6154 58.7153 41.8777 179.0806 138 M 3.7987 7.4649 118.0313 58.2963 31.7583 179.0646 139 S 4.5535 7.6827 116.7824 61.0330 62.9315 176.4903 140 M 3.9478 8.1927 121.7165 58.4175 31.6617 178.7082 141 I 3.5375 7.6963 119.9608 64.6455 37.0482 178.3289 142 C 3.9963 7.8442 116.0174 62.8514 27.7686 175.7773 143 I 4.0794 8.0378 123.0524 63.9155 36.6647 178.5314 144 L 4.0286 8.1207 119.8734 57.5333 41.2838 179.1622 145 L 3.9830 7.8761 117.4791 56.3743 41.8536 178.4041 146 R 4.7896 7.5746 116.7629 56.1566 30.5566 178.0802 147 S 4.1535 7.8631 113.6337 61.0697 63.0209 175.6627 148 A 4.1429 8.2885 123.2577 54.2145 18.6409 176.8033 149 Y 4.1832 7.9946 117.6941 58.4074 37.9125 175.4175 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 P 0.00 4.65 0.00 2.20 2.18 0.00 3.33 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 2 I 8.16 4.03 1.88 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 1.40 0.71 0.89 0.00 0.00 3 V 8.34 4.53 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 0.86 0.00 0.00 0.90 0.00 0.00 4 D 8.39 5.05 0.00 2.77 2.80 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 5 T 7.43 4.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 6 G 8.86 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 7 S 8.38 4.64 0.00 3.77 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 8 V 7.85 4.46 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 0.75 0.00 0.00 0.88 0.00 0.00 9 A 8.42 4.13 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.37 0.00 2.03 1.99 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 11 L 8.18 4.34 0.00 1.60 1.57 0.84 0.83 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 12 S 9.62 4.52 0.00 4.00 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 13 A 8.67 3.93 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 14 A 7.91 3.92 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 15 E 8.13 3.93 0.00 2.18 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 2.36 0.00 16 K 8.29 3.89 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.69 7.81 17 T 7.82 3.88 4.42 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 1.23 0.00 0.00 18 K 8.00 4.00 0.00 2.04 1.90 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.77 7.81 19 I 7.99 3.85 2.11 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 1.78 0.99 1.06 0.00 0.00 20 R 8.29 4.10 0.00 2.03 2.08 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 21 S 7.89 4.12 0.00 4.08 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.11 4.12 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 23 W 9.13 4.36 0.00 3.53 3.31 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 24 A 8.35 3.96 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 25 P 0.00 4.12 0.00 1.98 2.09 0.00 3.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 26 V 7.61 3.54 1.58 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 0.62 0.00 0.00 0.81 0.00 0.00 27 Y 7.09 3.96 0.00 2.17 2.80 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 28 S 7.76 4.23 0.00 4.03 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 29 T 7.65 4.52 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 1.11 0.00 0.00 30 Y 7.70 4.17 0.00 3.17 3.16 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 0.00 31 E 7.31 3.79 0.00 1.79 1.86 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 1.73 2.00 0.00 32 T 7.69 3.94 4.18 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 1.23 0.00 0.00 33 S 8.07 4.20 0.00 3.88 3.94 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 34 G 8.48 3.87 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 0.00 0.00 0.00 35 V 7.45 3.62 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 1.04 0.00 0.00 1.06 0.00 0.00 36 D 8.16 4.37 0.00 2.91 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 37 I 7.85 3.75 2.11 0.00 0.00 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 1.50 1.03 1.03 0.00 0.00 38 L 8.06 4.12 0.00 1.88 1.85 1.09 0.97 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 39 V 8.31 3.57 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 0.93 0.00 0.00 0.93 0.00 0.00 40 K 8.65 3.95 0.00 2.06 2.05 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.50 7.81 41 F 8.62 4.23 0.00 3.23 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 3.65 0.00 2.96 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 43 T 8.00 3.94 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 1.31 0.00 0.00 44 S 7.65 4.60 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 45 T 6.97 4.48 3.55 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 1.24 0.00 0.00 46 P 0.00 4.37 0.00 2.06 1.99 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 47 A 8.04 4.13 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 48 A 7.45 4.36 0.35 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 49 Q 8.32 4.10 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.96 0.00 50 E 8.11 4.18 0.00 1.85 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 2.18 1.69 0.00 51 F 8.21 4.36 0.00 3.08 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 52 F 8.04 4.46 0.00 3.13 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 0.00 0.00 0.00 53 P 0.00 4.27 0.00 2.16 2.12 0.00 3.49 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 2.10 2.10 0.00 54 K 7.88 4.26 0.00 1.71 2.00 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.43 7.81 55 F 8.13 4.97 0.00 3.07 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 56 K 7.73 4.18 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.58 7.81 57 G 9.17 4.10 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 0.00 0.00 0.00 58 L 7.82 4.30 0.00 1.73 1.53 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.54 4.53 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 1.25 0.00 0.00 60 T 7.60 4.14 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 61 A 8.41 4.19 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 62 D 7.78 4.30 0.00 2.67 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 63 Q 8.16 4.08 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 L 7.39 3.66 0.00 1.48 1.42 0.86 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.37 4.04 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.74 7.81 66 K 7.90 4.36 0.00 1.79 1.81 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.55 7.81 67 S 7.55 4.30 0.00 3.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.59 4.14 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 69 D 7.96 4.58 0.00 2.91 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 70 V 7.66 3.59 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 0.82 0.00 0.00 -0.20 0.00 0.00 71 R 7.92 3.99 0.00 2.18 2.32 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 72 W 8.46 4.78 0.00 3.49 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 73 H 8.42 3.88 0.00 3.79 3.68 0.00 5.84 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 74 A 8.61 4.17 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 75 E 8.78 4.20 0.00 2.48 2.33 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 2.70 2.62 0.00 76 R 7.85 3.72 0.00 1.61 1.67 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.55 0.00 77 I 7.60 3.65 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.97 0.00 0.00 78 I 7.86 3.98 2.27 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 1.18 0.00 0.00 79 N 8.11 4.53 0.00 2.86 2.82 0.00 0.00 6.81 7.81 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 80 A 7.90 3.95 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 81 V 7.70 3.31 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 0.45 0.00 0.00 0.90 0.00 0.00 82 N 8.07 4.07 0.00 3.07 2.81 0.00 0.00 7.28 8.31 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 83 D 8.08 4.22 0.00 2.80 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 84 A 7.56 3.97 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 85 V 7.58 3.31 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 0.85 0.00 0.00 0.01 0.00 0.00 86 A 7.69 4.09 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 87 S 8.08 4.55 0.00 3.83 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 88 M 7.44 4.00 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 89 D 7.95 4.56 0.00 2.64 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 90 D 7.99 4.82 0.00 2.60 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 0.00 0.00 0.00 0.00 91 T 7.97 3.86 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 1.18 0.00 0.00 92 E 8.15 3.88 0.00 2.27 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 2.38 2.29 0.00 93 K 7.96 3.88 0.00 1.90 1.88 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 94 M 7.89 3.92 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 95 S 7.84 4.02 0.00 4.01 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 96 M 7.70 3.94 0.00 1.97 2.22 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 2.81 2.59 0.00 97 K 7.87 3.89 0.00 1.88 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.59 7.81 98 L 7.78 3.95 0.00 1.64 1.60 0.80 0.70 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 99 R 8.67 4.05 0.00 1.77 1.94 0.00 3.09 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 100 D 7.98 4.27 0.00 2.79 2.85 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 0.00 101 L 7.88 4.00 0.00 1.93 1.79 1.02 0.52 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 0.00 102 S 8.59 4.18 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.81 3.54 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 0.00 0.00 0.00 104 K 7.72 3.54 0.00 1.87 1.19 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.28 1.57 7.81 105 H 8.16 4.39 0.00 3.73 3.88 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 0.00 106 A 7.59 3.58 0.29 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 0.00 107 K 7.98 4.07 0.00 1.53 1.75 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.43 7.81 108 S 7.32 4.43 0.00 3.04 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 0.00 109 F 7.37 4.66 0.00 3.21 2.96 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 0.00 110 Q 7.99 3.51 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 111 V 7.74 4.12 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 0.81 0.00 0.00 1.17 0.00 0.00 112 D 7.09 4.24 0.00 2.38 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 3.07 0.00 1.65 0.49 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 114 Q 7.52 3.83 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 115 Y 6.95 4.36 0.00 3.06 3.30 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 0.00 116 F 7.22 4.49 0.00 3.08 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 0.00 117 K 8.07 4.12 0.00 1.99 2.08 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.48 7.81 118 V 7.65 3.64 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 1.39 0.00 0.00 1.07 0.00 0.00 119 L 8.14 3.79 0.00 0.42 1.43 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.18 4.03 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 0.00 121 A 7.97 4.01 1.50 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 0.00 0.00 122 V 7.55 3.65 2.33 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 1.15 0.00 0.00 1.18 0.00 0.00 123 I 7.99 3.85 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 1.26 0.00 0.00 124 A 8.41 4.47 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 0.00 0.00 0.00 0.00 0.00 125 D 8.45 4.33 0.00 2.82 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 0.00 126 T 7.74 4.22 4.48 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 1.24 0.00 0.00 127 V 7.98 3.75 1.78 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 0.75 0.00 0.00 1.33 0.00 0.00 128 A 8.00 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.88 4.17 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 0.00 130 G 9.12 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 0.00 131 D 8.21 4.39 0.00 2.85 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 0.00 132 A 8.79 4.27 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 0.00 133 G 8.10 3.59 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 0.00 0.00 0.00 134 F 8.69 4.12 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.95 4.04 0.00 2.34 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 2.39 2.62 0.00 136 K 7.71 3.98 0.00 1.98 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.55 7.81 137 L 7.29 3.73 0.00 1.35 1.20 0.53 0.72 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 0.00 138 M 7.46 3.80 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.21 0.00 139 S 7.68 4.55 0.00 4.00 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 0.00 140 M 8.19 3.95 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 141 I 7.70 3.54 1.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.73 0.00 0.00 142 C 7.84 4.00 0.00 3.19 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 0.00 143 I 8.04 4.08 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.88 0.00 0.00 144 L 8.12 4.03 0.00 1.78 1.62 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.88 3.98 0.00 1.09 0.47 0.31 0.71 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 0.00 146 R 7.57 4.79 0.00 2.05 2.00 0.00 3.23 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 147 S 7.86 4.15 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.29 4.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.99 4.18 0.00 3.17 2.92 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