NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6427 8.3544 109.7018 43.3567 0.0000 173.6729 1 S 3.6369 6.8759 111.2900 53.9687 64.6898 173.5948 2 P 4.3832 0.0000 0.0000 62.2063 33.5839 175.0540 3 Y 4.4586 8.1072 118.8411 58.1440 39.1963 174.7011 4 N 5.2335 9.8247 121.8405 52.3708 40.4109 174.2102 5 V 4.9756 9.0037 124.2160 61.2757 34.6203 173.7212 6 M 5.2248 9.0746 127.0835 53.8670 35.0588 174.1222 7 I 4.8204 8.6133 126.5700 59.5878 39.9861 174.6632 8 V 4.6999 8.8145 127.5486 61.5371 33.9161 173.7558 9 D 4.9133 8.6539 126.6140 53.3285 44.5795 176.0296 10 D 4.4652 9.2655 124.1011 54.4652 40.1991 176.5231 11 A 4.3081 8.7765 123.6745 50.9164 19.2559 177.3947 12 A 3.9858 8.6228 127.0087 56.3909 18.3993 179.1324 13 M 4.0721 7.9748 116.6432 58.7017 32.0034 178.4943 14 M 4.0928 7.9704 117.9858 58.4844 32.4413 178.2889 15 R 3.9312 8.0858 118.3473 59.2274 30.2137 178.8303 16 L 3.9668 8.0577 120.0713 58.1823 42.1116 178.3064 17 Y 4.0572 8.2797 119.5841 60.8758 38.6875 178.2014 18 I 3.7773 8.2386 120.6810 64.2822 37.2033 178.2583 19 A 4.0069 8.3170 121.8642 55.3573 17.9858 179.8779 20 S 4.0611 8.2273 113.0158 61.5776 63.1034 176.4133 21 F 4.2848 8.1289 123.3435 61.4527 39.1808 177.3344 22 I 3.4642 8.0890 119.5450 64.0682 36.5820 178.3901 23 K 3.9263 7.8248 119.0301 59.1666 31.9154 178.3104 24 T 4.2084 7.5090 107.6855 61.0166 69.5556 174.4033 25 L 4.4529 7.1691 123.9380 52.8100 42.7570 175.7271 26 P 4.2758 0.0000 0.0000 64.3834 31.8333 176.4529 27 D 4.6369 8.0473 117.6379 53.0371 40.1076 175.3541 28 F 5.3748 7.6775 117.5038 56.0223 43.2876 174.0603 29 K 4.6379 9.2566 123.0762 54.6875 35.7360 175.2240 30 V 4.3773 8.5991 127.5751 63.0939 31.6906 175.7565 31 V 4.5149 8.8622 120.0523 61.3940 33.6913 175.5259 32 A 4.7123 7.6147 120.4873 50.9990 22.4067 175.1506 33 Q 5.1041 8.5802 117.8963 54.3424 33.0541 174.5402 34 A 5.0066 9.0216 122.8877 50.7946 22.3418 176.7506 35 A 4.6134 9.6581 122.3888 51.9710 20.2946 176.5053 36 N 4.8111 7.4746 112.5516 50.4289 41.2771 175.5048 37 G 3.4599 8.4852 107.2683 47.9771 0.0000 175.6917 38 Q 3.9430 8.0132 121.4974 58.8321 29.1341 177.5735 39 E 3.8616 8.9579 120.6422 59.1091 29.5416 178.6665 40 A 3.7096 7.8962 120.9308 54.9168 18.1630 179.5243 41 L 4.1309 8.0757 117.7965 58.2128 41.7324 179.5326 42 D 4.3487 8.4163 119.0807 57.3138 40.5158 179.1393 43 K 4.0966 8.0516 118.1309 59.3272 32.4748 178.9758 44 L 4.1676 8.3818 120.8282 58.1867 41.8669 178.9079 45 A 4.0479 8.2157 120.7398 54.6459 18.5161 178.2707 46 A 4.3152 7.5426 116.3416 53.7284 18.9204 177.7100 47 Q 4.6179 7.6614 115.5071 53.4593 28.6219 174.2406 48 P 4.5036 0.0000 0.0000 63.9086 32.0964 177.6268 49 N 4.6683 7.9866 115.8177 52.9830 37.5933 175.1444 50 V 3.7615 7.3692 119.6035 63.6443 32.0854 175.2599 51 D 4.8115 9.2158 127.1062 55.6669 42.8098 176.3980 52 L 5.0880 7.8119 119.7742 53.6262 45.9562 174.5112 53 I 4.9502 9.0985 127.2615 59.5802 40.1629 174.3508 54 L 5.0839 8.9768 127.7667 53.1201 43.5768 175.2701 55 L 5.1737 8.7739 126.5566 52.7197 45.1517 175.0227 56 D 4.7484 8.9597 126.7967 54.8915 41.5695 177.0382 57 I 3.8836 8.7472 126.4479 62.8655 38.2517 176.1765 58 E 4.2521 8.5698 118.6291 57.7260 29.9037 176.3607 59 M 4.1209 7.4873 120.2472 54.2851 32.6059 174.0965 60 P 4.3662 0.0000 0.0000 62.8898 31.9769 176.5953 61 V 3.8961 8.1086 114.4086 61.1607 32.4212 176.1357 62 M 4.3426 8.4048 121.9976 55.2626 32.5214 177.4212 63 D 4.3437 8.7975 120.4892 56.8385 41.0895 177.9608 64 G 4.0592 8.0402 104.6123 43.6401 0.0000 172.7242 65 M 3.2875 8.1257 118.0138 55.8735 30.5055 179.0939 66 E 3.9901 8.1237 119.0584 59.3344 29.8742 178.6587 67 F 4.3548 8.1471 120.2552 61.3117 39.6124 176.8100 68 L 3.5865 7.9162 119.4168 58.0303 41.8571 178.8563 69 R 3.8408 8.1455 118.1567 59.5358 29.9490 178.4890 70 H 3.9896 8.3761 117.7587 59.1645 29.6840 177.0792 71 A 3.8222 7.9003 122.8989 55.0702 17.9218 179.5808 72 K 3.7694 7.9839 117.1004 58.8873 32.3892 178.2123 73 L 4.4832 7.9636 117.2612 54.6462 42.7162 177.2235 74 K 4.4266 8.0860 115.9491 55.9472 33.3269 175.2185 75 T 4.7240 7.2891 107.7692 60.2064 71.8032 173.6453 76 R 4.4987 8.3089 116.9870 55.7563 30.5121 176.3635 77 A 4.3581 7.7612 120.2963 52.0160 19.0438 178.7281 78 K 4.3892 8.9269 121.0620 56.4025 33.8814 176.2395 79 I 4.9393 9.1617 124.1967 59.6963 40.4145 173.9304 80 C 5.1722 9.1024 128.2763 57.6771 33.8847 173.0810 81 M 4.7867 8.9960 126.5236 55.2864 33.3151 175.2014 82 L 5.3244 8.9124 122.4911 53.0364 44.2190 175.5506 83 S 4.9648 8.8570 118.8172 56.7184 65.2562 175.4377 84 S 4.3097 8.8388 117.6251 59.8054 63.1853 174.0082 85 V 4.4575 7.3379 111.8259 58.3858 34.8977 174.9160 86 A 4.0339 8.4462 123.6827 52.7197 18.8211 178.1628 87 V 3.6771 8.5211 122.4579 65.7009 31.9719 176.2621 88 S 4.3078 7.8652 114.6045 59.8704 62.2848 173.8975 89 G 3.8876 9.1470 116.5403 45.1538 0.0000 172.3920 90 S 4.5937 7.5069 113.8382 56.1061 64.4598 172.1305 91 P 4.6524 0.0000 0.0000 63.5425 31.1691 177.4626 92 H 4.3488 7.5783 116.5635 59.0917 28.4955 177.4576 93 A 3.9887 8.0059 122.1071 55.0425 18.2754 179.4177 94 A 3.9774 7.9197 118.8933 55.3346 18.5714 179.9346 95 R 3.9063 8.2950 116.5059 59.0998 30.0925 179.1933 96 A 3.9598 8.2199 120.7577 55.2970 18.4397 179.8106 97 R 3.8789 7.7613 116.3221 59.4635 29.9052 178.9395 98 E 3.9633 7.9514 118.0137 59.1599 29.7824 178.2695 99 L 4.2592 7.7601 116.4645 55.3406 41.8453 177.9807 100 G 3.8614 7.8671 107.4089 45.0471 0.0000 173.8685 101 A 4.1989 7.6173 122.0668 52.1670 18.8426 177.8514 102 D 4.5709 8.7836 120.1985 55.9653 41.8849 176.2932 103 G 4.1922 7.6178 104.3887 46.0028 0.0000 172.3436 104 V 5.2359 8.2719 118.2725 60.3786 34.3620 174.7132 105 V 4.6242 8.6507 120.8943 60.0170 35.0261 173.7064 106 A 4.6292 8.4518 124.3002 51.2857 19.0331 177.5916 107 K 4.1851 8.8763 122.0576 55.8109 32.6938 175.7200 108 P 4.5343 0.0000 0.0000 62.8131 32.2751 175.1908 109 S 4.1372 7.9652 112.0714 57.1845 65.4457 173.9817 110 G 3.9397 8.1565 108.9986 46.1120 0.0000 174.0988 111 T 3.9535 7.6458 117.1097 63.5231 69.1196 178.2256 112 V 2.8763 7.6744 118.0298 64.0456 35.3195 175.4577 *119 K 4.3171 7.2334 125.4353 56.1313 32.5594 178.8235 120 T 3.7924 8.2963 112.5695 65.9288 69.2882 175.7705 121 G 3.2069 7.6429 107.2683 44.6146 0.0000 174.4070 122 G 3.7098 8.2250 109.6415 47.7771 0.0000 176.0105 123 E 3.9612 8.0463 121.5659 58.5632 29.6767 178.2862 124 L 3.8759 7.8460 119.7311 58.2170 42.2021 178.6704 125 A 3.9741 8.5707 121.0111 55.1719 18.3007 179.5488 126 R 3.8847 8.1133 117.1939 59.9083 30.1510 178.9579 127 T 3.8756 8.1822 115.7091 66.8393 68.5796 176.5487 128 M 3.9817 8.1588 120.7464 58.5873 31.9315 179.1439 129 R 4.2234 8.2322 118.1111 59.4993 30.1209 179.2252 130 T 3.8805 8.1511 115.6631 66.6863 68.2507 176.6396 131 L 3.9906 7.8239 119.6150 58.1466 41.7267 179.2358 132 M 3.9965 7.8204 116.6413 57.3766 31.9677 177.8809 133 A 4.2946 7.7812 119.1289 53.2023 19.1564 177.5707 134 A 4.2384 7.5502 123.7078 52.5235 18.6128 177.0494 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 8.35 3.64 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 0.00 1 S 6.88 3.64 0.00 3.53 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 2 P 0.00 4.38 0.00 2.03 2.07 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 3 Y 8.11 4.46 0.00 2.54 2.87 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 4 N 9.82 5.23 0.00 2.83 2.80 0.00 0.00 6.28 7.48 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 5 V 9.00 4.98 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 1.06 0.00 0.00 1.17 0.00 0.00 6 M 9.07 5.22 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 7 I 8.61 4.82 1.89 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 1.14 0.57 0.93 0.00 0.00 8 V 8.81 4.70 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 0.80 0.00 0.00 0.81 0.00 0.00 9 D 8.65 4.91 0.00 2.75 2.44 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 0.00 10 D 9.27 4.47 0.00 2.81 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 11 A 8.78 4.31 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 12 A 8.62 3.99 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 13 M 7.97 4.07 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 14 M 7.97 4.09 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.79 0.00 15 R 8.09 3.93 0.00 2.06 2.17 0.00 3.17 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 16 L 8.06 3.97 0.00 1.81 1.72 0.95 0.66 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 17 Y 8.28 4.06 0.00 3.20 3.08 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 18 I 8.24 3.78 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.97 0.00 0.00 19 A 8.32 4.01 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 20 S 8.23 4.06 0.00 3.89 3.91 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 21 F 8.13 4.28 0.00 2.82 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 22 I 8.09 3.46 1.99 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 1.44 0.79 0.96 0.00 0.00 23 K 7.82 3.93 0.00 1.92 1.85 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 24 T 7.51 4.21 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 1.19 0.00 0.00 25 L 7.17 4.45 0.00 1.86 1.93 0.72 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.28 0.00 2.14 2.15 0.00 3.75 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 1.94 0.00 27 D 8.05 4.64 0.00 2.52 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 28 F 7.68 5.37 0.00 3.02 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 29 K 9.26 4.64 0.00 1.77 1.61 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.38 7.81 30 V 8.60 4.38 2.11 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 0.89 0.00 0.00 0.96 0.00 0.00 31 V 8.86 4.51 2.11 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 0.78 0.00 0.00 1.02 0.00 0.00 32 A 7.61 4.71 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 33 Q 8.58 5.10 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 34 A 9.02 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 9.66 4.61 1.31 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 0.00 0.00 36 N 7.47 4.81 0.00 2.91 2.85 0.00 0.00 6.14 6.92 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 37 G 8.49 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 3.94 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 39 E 8.96 3.86 0.00 1.98 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 2.24 2.29 0.00 40 A 7.90 3.71 0.10 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 41 L 8.08 4.13 0.00 2.01 1.76 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.42 4.35 0.00 2.80 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 43 K 8.05 4.10 0.00 1.85 1.88 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.56 7.81 44 L 8.38 4.17 0.00 2.08 1.87 1.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.22 4.05 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 46 A 7.54 4.32 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 47 Q 7.66 4.62 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 48 P 0.00 4.50 0.00 2.20 2.20 0.00 3.84 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 2.00 1.97 0.00 49 N 7.99 4.67 0.00 2.86 2.98 0.00 0.00 6.04 7.68 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 50 V 7.37 3.76 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 0.88 0.00 0.00 1.04 0.00 0.00 51 D 9.22 4.81 0.00 2.91 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 52 L 7.81 5.09 0.00 1.78 1.57 0.93 0.96 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 53 I 9.10 4.95 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 1.38 0.69 1.12 0.00 0.00 54 L 8.98 5.08 0.00 1.60 1.60 0.92 0.34 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 55 L 8.77 5.17 0.00 1.84 1.54 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.96 4.75 0.00 2.96 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 57 I 8.75 3.88 1.87 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 1.25 0.90 0.69 0.00 0.00 58 E 8.57 4.25 0.00 2.28 1.97 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 2.30 2.21 0.00 59 M 7.49 4.12 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 60 P 0.00 4.37 0.00 2.22 2.05 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 61 V 8.11 3.90 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 0.95 0.00 0.00 62 M 8.40 4.34 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 63 D 8.80 4.34 0.00 2.67 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 64 G 8.04 4.06 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 0.00 0.00 0.00 65 M 8.13 3.29 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 66 E 8.12 3.99 0.00 2.11 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 2.43 2.45 0.00 67 F 8.15 4.35 0.00 3.25 3.08 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 68 L 7.92 3.59 0.00 1.81 1.63 0.85 1.02 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 69 R 8.15 3.84 0.00 2.07 1.95 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 70 H 8.38 3.99 0.00 3.32 3.41 0.00 5.79 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 71 A 7.90 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.98 3.77 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 73 L 7.96 4.48 0.00 1.66 1.65 0.90 1.02 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 74 K 8.09 4.43 0.00 1.42 1.56 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.37 7.81 75 T 7.29 4.72 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 1.26 0.00 0.00 76 R 8.31 4.50 0.00 1.80 1.94 0.00 3.22 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 77 A 7.76 4.36 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 78 K 8.93 4.39 0.00 1.68 1.72 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.52 7.81 79 I 9.16 4.94 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.92 0.00 0.00 80 C 9.10 5.17 0.00 2.93 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 81 M 9.00 4.79 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.79 0.00 82 L 8.91 5.32 0.00 1.55 1.55 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.86 4.96 0.00 3.89 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 84 S 8.84 4.31 0.00 4.01 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 85 V 7.34 4.46 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 0.73 0.00 0.00 0.97 0.00 0.00 86 A 8.45 4.03 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 87 V 8.52 3.68 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 0.97 0.00 0.00 0.95 0.00 0.00 88 S 7.87 4.31 0.00 3.86 3.77 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 89 G 9.15 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 0.00 0.00 0.00 90 S 7.51 4.59 0.00 3.99 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 91 P 0.00 4.65 0.00 2.29 2.22 0.00 3.45 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 92 H 7.58 4.35 0.00 3.24 3.36 0.00 5.62 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 93 A 8.01 3.99 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 94 A 7.92 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 95 R 8.29 3.91 0.00 2.02 2.02 0.00 3.31 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 96 A 8.22 3.96 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 97 R 7.76 3.88 0.00 1.99 2.00 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 98 E 7.95 3.96 0.00 2.10 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 2.32 2.35 0.00 99 L 7.76 4.26 0.00 1.82 1.70 0.97 1.06 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 0.00 100 G 7.87 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 0.00 0.00 0.00 101 A 7.62 4.20 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 0.00 102 D 8.78 4.57 0.00 2.65 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 0.00 103 G 7.62 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 0.00 0.00 0.00 0.00 104 V 8.27 5.24 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 0.76 0.00 0.00 0.99 0.00 0.00 105 V 8.65 4.62 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 0.64 0.00 0.00 0.92 0.00 0.00 106 A 8.45 4.63 1.23 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 0.00 0.00 107 K 8.88 4.19 0.00 1.58 1.74 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 108 P 0.00 4.53 0.00 2.43 2.01 0.00 3.81 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 2.26 1.96 0.00 109 S 7.97 4.14 0.00 3.78 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 0.00 110 G 8.16 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 0.00 0.00 0.00 111 T 7.65 3.95 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 0.00 112 V 7.67 2.88 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 0.68 0.00 0.00 0.92 0.00 0.00 *119 K 7.23 4.32 0.00 1.88 1.69 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.45 7.81 120 T 8.30 3.79 4.05 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 1.23 0.00 0.00 121 G 7.64 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 0.00 0.00 0.00 122 G 8.22 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 0.00 0.00 0.00 123 E 8.05 3.96 0.00 2.03 1.92 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 2.36 2.36 0.00 124 L 7.85 3.88 0.00 1.72 1.71 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.57 3.97 1.54 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 0.00 126 R 8.11 3.88 0.00 2.07 2.10 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 127 T 8.18 3.88 4.35 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 1.20 0.00 0.00 128 M 8.16 3.98 0.00 1.30 1.83 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 129 R 8.23 4.22 0.00 2.15 2.10 0.00 3.36 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 130 T 8.15 3.88 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 131 L 7.82 3.99 0.00 1.77 1.71 0.91 0.84 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 0.00 132 M 7.82 4.00 0.00 0.92 1.77 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.91 0.00 133 A 7.78 4.29 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 0.00 134 A 7.55 4.24 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 * Residues marked with a * may have inaccurate shift predictions.