NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7276 8.3129 109.7279 45.4917 0.0000 176.2576 *2 E 4.2155 9.2831 117.6558 55.9320 32.9221 180.5710 3 T 4.0100 7.6486 110.4916 64.4071 68.7947 176.8653 4 T 3.8280 7.7252 112.3116 65.0456 68.8994 176.0858 5 H 3.6471 7.9256 119.3645 58.3923 28.5962 176.6200 6 Y 3.9689 8.0271 120.9141 60.9050 38.5645 178.3146 7 S 4.1904 8.3457 113.7836 61.4032 62.5001 176.0195 8 I 3.7485 8.0239 122.3734 64.4606 36.8378 178.2839 9 A 3.1243 8.0049 121.4298 54.9228 18.1978 179.5194 10 Q 3.8787 7.9997 116.5945 59.5140 28.7852 179.0774 11 H 4.1100 8.3516 116.9985 58.8202 28.7943 177.7035 12 F 4.1236 8.4835 122.4536 61.5852 39.0784 177.4179 13 S 4.5545 8.7846 115.4311 60.6904 62.7051 175.8394 14 S 4.5446 7.7987 114.3628 58.3341 63.1668 175.0923 15 G 3.0208 7.7072 110.8729 45.7690 0.0000 174.5854 16 D 4.3689 7.3718 121.2998 52.8629 37.6669 176.5770 17 F 4.2720 6.8781 123.1515 60.3725 39.5012 175.6750 18 P 2.9700 0.0000 0.0000 64.8229 30.8044 178.2444 19 A 3.9097 7.3609 118.6361 53.9023 18.3976 178.2231 20 V 4.3690 7.5579 108.9320 60.8657 33.5806 176.9340 21 Y 2.9126 7.1754 119.3155 60.8372 37.7160 178.6762 22 A 4.1287 7.9025 120.4253 54.4579 18.7797 177.4830 23 C 4.5875 8.2826 113.1084 59.7179 28.8413 173.7192 24 F 4.8295 7.9534 120.2226 57.0140 39.2367 175.0178 25 N 4.5718 8.9078 123.9728 53.3944 39.7085 175.3515 26 D 4.4895 8.9280 123.5693 57.1001 41.0238 177.9168 27 I 4.4553 7.7305 111.3400 60.0056 38.1392 176.0424 28 I 4.3773 7.5185 122.4138 62.1393 38.9672 174.0608 29 E 5.0189 8.5692 126.2625 54.1851 33.4945 174.5129 30 W 4.9249 9.0028 134.1522 55.8265 32.9575 174.2437 31 N 4.6824 9.2808 128.7902 52.4183 39.3104 174.1362 32 I 4.1378 8.0642 129.4200 59.3104 37.7303 175.6299 33 I 3.4720 7.8480 128.5928 62.7737 37.2181 177.3590 34 G 3.8523 8.8351 112.5234 45.6500 0.0000 172.2592 35 N 4.6788 7.2655 114.8345 52.4757 41.5851 174.0283 36 Q 4.4033 6.7442 112.6658 55.8077 31.7183 171.6035 37 V 4.4765 8.2533 119.6961 61.1545 33.2318 174.6096 38 V 4.1946 8.4313 128.5700 61.1778 33.3355 174.5524 39 K 4.8330 8.5770 126.2397 55.7575 35.4477 176.8096 40 G 3.9963 9.2041 110.6954 45.9068 0.0000 174.0081 41 K 3.9165 8.7007 122.6972 59.5809 32.1206 179.1519 42 A 3.9799 7.9725 120.1143 55.4511 18.4012 179.2218 43 D 4.3198 8.0330 116.8756 57.4070 40.8792 179.0677 44 V 3.7370 8.1765 119.1384 66.0100 31.4888 178.1874 45 I 3.4317 8.1972 119.9467 64.4214 36.8687 178.1882 46 D 4.3734 8.3669 119.9054 57.2060 40.3994 178.6620 47 F 4.1062 8.2656 120.2895 61.4714 39.5179 176.6131 48 C 4.2751 8.5221 115.5340 63.1361 28.0704 175.7495 49 N 4.7057 8.5158 116.9774 55.8274 38.0410 177.5934 50 K 3.9217 7.7442 117.3358 57.1742 32.0632 176.9839 *52 L 4.4541 7.7764 120.3597 54.2400 43.9358 176.1250 53 P 4.3762 0.0000 0.0000 65.6113 31.1875 178.7382 54 E 3.8740 8.1085 116.2705 56.5871 28.8719 178.2744 *56 K 3.9774 8.1540 118.4710 55.7088 33.8793 177.1352 57 G 3.7328 8.0559 104.9695 46.1625 0.0000 172.8573 58 A 4.8714 7.2099 121.3704 50.3336 22.1295 176.3073 59 V 4.3370 8.7259 117.7771 61.5132 34.1583 174.1874 60 L 5.4087 8.6791 127.8580 53.4082 44.0599 176.3486 61 T 4.6417 9.0580 119.5135 61.8809 71.9188 173.4133 62 N 4.8657 9.0078 124.2367 53.3008 39.5427 174.3314 63 D 4.7423 8.7969 121.8233 55.5766 41.6826 176.0731 64 N 5.0302 7.6522 115.1685 52.5560 42.7658 172.6440 65 V 5.0126 8.2900 122.9410 61.4213 34.9675 174.2287 66 I 4.6475 9.1485 128.3250 59.6098 40.3726 174.0979 67 Q 5.1029 8.9257 128.2065 54.4521 31.8245 174.2000 68 N 5.2684 8.7721 127.0767 51.8441 39.9225 175.3229 69 E 4.0068 8.8739 112.5565 58.4910 30.1481 172.7191 70 N 5.0858 8.3158 111.4730 53.4622 41.0333 173.3785 71 Q 5.3389 9.3619 118.0108 54.4258 31.9494 174.5218 72 I 5.2994 9.0350 122.8848 59.4051 42.2767 173.6774 73 V 5.0270 9.1432 128.2991 61.2131 34.5104 174.0168 74 I 5.0704 9.1097 128.6790 59.7024 40.1660 174.4565 75 E 5.0010 8.7972 126.7324 55.5563 31.9380 175.9330 76 G 3.6760 7.6928 108.1222 45.8801 0.0000 171.9132 77 K 5.0857 8.4001 117.9562 54.6331 36.8101 175.4557 78 C 5.2647 9.5894 124.4215 57.7587 33.9887 172.5110 79 R 4.4820 9.3019 128.6777 55.7004 31.1603 174.8745 80 Y 5.2162 8.1554 123.5379 55.9094 42.4248 173.2014 81 F 4.7753 8.7090 117.4077 55.6246 41.7956 176.0652 82 D 4.7106 9.3562 124.3858 52.2317 41.3249 176.6140 83 A 3.9848 8.5332 120.8314 55.7389 18.3545 178.5492 84 E 4.1856 8.3687 112.0615 56.4538 29.4079 176.7819 85 G 3.9510 8.2519 109.4529 47.2722 0.0000 174.4537 86 K 4.8184 8.7687 122.2125 52.3889 35.1857 177.9563 87 E 3.4249 8.7545 122.9220 56.6619 30.1097 175.8126 88 A 4.5294 7.6103 126.5087 50.4501 23.3767 174.7886 89 F 5.1933 8.5489 116.6769 55.8585 43.0160 174.4747 90 V 4.6258 9.1864 123.9583 61.5413 33.5051 174.5325 91 S 5.1526 9.2194 125.1628 57.7048 64.3681 172.8651 92 Y 5.5511 8.6709 122.7885 55.3316 41.6648 174.1619 93 C 5.2974 9.4694 121.0640 58.0818 34.7785 172.1056 94 D 5.4709 9.6102 127.1350 52.6481 43.2114 175.3930 95 I 4.6279 8.7116 124.6253 59.7505 40.0717 174.0190 96 Y 4.7252 9.3496 125.3699 55.9674 40.5509 174.6637 97 R 4.7604 8.5498 124.5148 54.6074 32.3619 174.7850 98 F 5.0513 8.9182 125.2798 56.2159 41.4185 175.5922 99 E 4.4813 9.1046 122.7252 54.5093 31.3503 177.7922 100 N 4.0873 9.0441 127.8775 54.6689 38.0258 175.0494 101 D 4.8754 9.2581 124.1232 53.9742 39.8513 175.7678 102 T 4.9046 7.9411 110.2590 60.2000 71.1280 173.3348 103 I 4.0096 8.7944 125.1010 61.1377 37.7921 176.4755 104 K 4.1179 9.0528 130.0040 58.5507 33.4063 176.5488 105 T 5.0076 7.3929 108.1965 59.9530 72.6635 172.5939 106 I 4.4788 8.4663 123.8112 59.6704 40.7773 174.4686 107 T 5.0290 8.7498 123.3497 61.8373 71.6702 173.0652 108 S 5.3324 9.1520 122.9008 56.9656 66.2889 172.6232 109 Y 4.8810 9.3984 123.2019 56.6587 39.6627 174.5757 110 C 5.3746 8.8193 121.7091 57.9983 31.6538 174.2980 111 I 4.2866 8.9593 124.2187 61.4319 37.6114 175.5052 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 0 G 8.31 3.73 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 0.00 0.00 0.00 *2 E 9.28 4.22 0.00 1.93 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 0.00 2.21 1.88 0.00 3 T 7.65 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 4 T 7.73 3.83 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 1.20 0.00 0.00 5 H 7.93 3.65 0.00 3.09 2.80 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.03 3.97 0.00 3.15 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 7 S 8.35 4.19 0.00 4.11 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 8 I 8.02 3.75 2.14 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 0.61 1.07 0.00 0.00 9 A 8.00 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.00 3.88 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.06 2.41 0.00 11 H 8.35 4.11 0.00 3.44 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.48 4.12 0.00 3.25 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 13 S 8.78 4.55 0.00 4.17 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 14 S 7.80 4.54 0.00 4.05 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 15 G 7.71 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 0.00 0.00 0.00 16 D 7.37 4.37 0.00 2.71 2.65 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 17 F 6.88 4.27 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 2.97 0.00 1.95 1.93 0.00 3.51 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 2.03 2.10 0.00 19 A 7.36 3.91 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 20 V 7.56 4.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.36 0.00 0.00 21 Y 7.18 2.91 0.00 2.89 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 22 A 7.90 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.28 4.59 0.00 3.29 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 24 F 7.95 4.83 0.00 3.03 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 25 N 8.91 4.57 0.00 2.83 2.69 0.00 0.00 6.92 8.30 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 26 D 8.93 4.49 0.00 2.76 2.74 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 0.00 0.00 0.00 27 I 7.73 4.46 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.91 0.00 0.00 28 I 7.52 4.38 1.88 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.05 0.78 0.00 0.00 29 E 8.57 5.02 0.00 1.82 1.69 0.00 0.00 0.00 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 2.32 0.00 30 W 9.00 4.92 0.00 3.02 2.74 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 0.00 0.00 0.00 31 N 9.28 4.68 0.00 2.76 2.61 0.00 0.00 6.80 7.25 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 32 I 8.06 4.14 1.44 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.68 0.00 0.00 33 I 7.85 3.47 1.47 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.70 0.00 0.00 34 G 8.84 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 35 N 7.27 4.68 0.00 2.54 2.73 0.00 0.00 6.98 7.53 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 36 Q 6.74 4.40 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 37 V 8.25 4.48 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 0.68 0.00 0.00 0.87 0.00 0.00 38 V 8.43 4.19 1.82 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 0.88 0.00 0.00 -0.11 0.00 0.00 39 K 8.58 4.83 0.00 1.57 1.60 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.32 7.81 40 G 9.20 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 0.00 0.00 0.00 41 K 8.70 3.92 0.00 2.06 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.68 7.81 42 A 7.97 3.98 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 43 D 8.03 4.32 0.00 2.99 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 44 V 8.18 3.74 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 1.09 0.00 0.00 0.95 0.00 0.00 45 I 8.20 3.43 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.64 0.22 0.00 0.00 46 D 8.37 4.37 0.00 2.87 2.76 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 47 F 8.27 4.11 0.00 3.13 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 48 C 8.52 4.28 0.00 3.33 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 49 N 8.52 4.71 0.00 2.91 2.96 0.00 0.00 7.03 7.15 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 50 K 7.74 3.92 0.00 1.78 1.82 0.00 1.77 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.37 7.81 *52 L 7.78 4.45 0.00 2.02 1.91 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.38 0.00 2.22 2.09 0.00 3.84 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 2.12 2.09 0.00 54 E 8.11 3.87 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 *56 K 8.15 3.98 0.00 1.95 1.88 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.57 7.81 57 G 8.06 3.73 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 0.00 0.00 0.00 58 A 7.21 4.87 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 59 V 8.73 4.34 2.15 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 0.94 0.00 0.00 1.01 0.00 0.00 60 L 8.68 5.41 0.00 1.68 1.72 0.95 0.85 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 61 T 9.06 4.64 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 62 N 9.01 4.87 0.00 2.76 2.80 0.00 0.00 7.12 8.06 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 63 D 8.80 4.74 0.00 2.56 2.66 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 64 N 7.65 5.03 0.00 2.81 2.60 0.00 0.00 6.39 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 65 V 8.29 5.01 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 0.94 0.00 0.00 0.83 0.00 0.00 66 I 9.15 4.65 1.93 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 1.15 0.71 0.95 0.00 0.00 67 Q 8.93 5.10 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 68 N 8.77 5.27 0.00 3.01 2.99 0.00 0.00 6.76 6.94 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 69 E 8.87 4.01 0.00 2.01 1.91 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 2.23 1.87 0.00 70 N 8.32 5.09 0.00 2.90 2.98 0.00 0.00 6.84 7.20 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 71 Q 9.36 5.34 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 72 I 9.03 5.30 2.09 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.71 1.23 0.00 0.00 73 V 9.14 5.03 2.15 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 1.07 0.00 0.00 0.99 0.00 0.00 74 I 9.11 5.07 2.15 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 1.08 0.00 0.00 75 E 8.80 5.00 0.00 1.92 1.79 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 2.27 2.27 0.00 76 G 7.69 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 77 K 8.40 5.09 0.00 1.78 1.76 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.23 7.81 78 C 9.59 5.26 0.00 3.24 3.01 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 79 R 9.30 4.48 0.00 1.90 1.85 0.00 3.20 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.00 80 Y 8.16 5.22 0.00 3.03 2.95 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 81 F 8.71 4.78 0.00 2.91 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 82 D 9.36 4.71 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 3.98 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 84 E 8.37 4.19 0.00 2.10 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 0.00 2.32 2.37 0.00 85 G 8.25 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 0.00 0.00 0.00 86 K 8.77 4.82 0.00 1.39 1.65 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.22 7.81 87 E 8.75 3.42 0.00 1.86 1.76 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 1.55 1.66 0.00 88 A 7.61 4.53 0.40 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 0.00 0.00 89 F 8.55 5.19 0.00 2.86 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 90 V 9.19 4.63 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 1.01 0.00 0.00 0.95 0.00 0.00 91 S 9.22 5.15 0.00 3.84 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 92 Y 8.67 5.55 0.00 3.12 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 93 C 9.47 5.30 0.00 3.01 2.88 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 94 D 9.61 5.47 0.00 2.81 2.31 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 95 I 8.71 4.63 1.88 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 1.28 0.96 0.93 0.00 0.00 96 Y 9.35 4.73 0.00 2.62 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 0.00 0.00 0.00 0.00 97 R 8.55 4.76 0.00 1.78 1.64 0.00 3.07 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 98 F 8.92 5.05 0.00 2.96 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 99 E 9.10 4.48 0.00 2.02 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 2.22 2.28 0.00 100 N 9.04 4.09 0.00 2.93 2.03 0.00 0.00 7.11 8.06 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 0.00 101 D 9.26 4.88 0.00 2.81 2.76 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 0.00 102 T 7.94 4.90 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 1.29 0.00 0.00 103 I 8.79 4.01 1.75 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 1.06 0.73 0.54 0.00 0.00 104 K 9.05 4.12 0.00 1.83 1.85 0.00 1.44 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.36 7.81 105 T 7.39 5.01 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 1.12 0.00 0.00 106 I 8.47 4.48 1.13 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 0.47 0.11 0.02 0.00 0.00 107 T 8.75 5.03 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 1.13 0.00 0.00 108 S 9.15 5.33 0.00 3.87 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 0.00 109 Y 9.40 4.88 0.00 2.94 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 0.00 110 C 8.82 5.37 0.00 2.85 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 0.00 111 I 8.96 4.29 1.95 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 1.16 0.96 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.