NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4388 8.3349 115.4128 57.8359 64.6429 173.8642 2 K 4.0989 8.1009 119.5796 57.3262 32.7512 175.4427 3 T 4.3081 8.4014 117.2812 64.9510 71.2691 175.4823 4 N 4.4173 7.9268 120.3533 53.0609 39.9643 173.8397 5 P 4.3394 0.0000 0.0000 65.2978 31.5500 179.0101 6 R 3.8508 8.8615 117.6587 59.2655 30.2107 178.5981 7 L 4.0925 8.1601 119.5313 58.1882 41.9300 179.0009 8 S 4.0449 7.9019 112.5998 61.5528 62.3930 176.3570 9 S 4.1165 8.0541 117.8813 61.4387 62.4917 176.3114 10 L 3.9250 8.4546 123.3924 58.3249 41.7186 179.2333 11 I 3.6900 7.7557 119.2559 64.2030 37.0497 178.2827 12 A 4.0065 8.0079 121.6809 55.2574 18.2197 179.4430 13 D 4.2845 8.5029 117.8556 57.4988 40.7848 178.9318 14 L 3.8998 8.1014 119.5853 57.5668 41.5400 179.9062 15 K 3.9603 7.8197 118.0562 59.6560 32.1705 179.0571 16 S 4.0939 8.1132 113.1149 61.7227 62.1674 176.3115 17 A 4.0589 8.1040 122.9596 55.0498 17.9874 179.5213 18 A 4.2582 7.8514 118.1115 55.1164 18.4584 179.9179 19 R 4.0802 7.9542 116.1873 60.2072 30.4616 178.6756 20 S 4.1679 8.0314 114.4216 60.8696 62.7236 175.8173 21 S 4.3895 8.0430 116.3060 58.6176 63.6183 175.3636 22 G 3.9873 8.5643 108.5399 45.8159 0.0000 174.4129 23 G 3.7187 7.4719 107.6568 45.8397 0.0000 173.6244 24 A 4.5494 8.0370 121.5075 52.1869 21.6934 179.1203 25 V 3.4615 7.4632 109.0111 64.3159 31.4440 178.4228 26 W 4.9456 7.6531 118.3109 60.1376 29.0155 178.7003 27 G 3.6418 8.1894 105.0236 47.5379 0.0000 175.2390 28 D 4.3368 8.0745 120.5228 57.2678 41.2140 178.5284 29 V 3.6452 8.6209 118.9849 65.7896 31.5316 177.7641 30 A 4.0071 8.3335 120.7969 55.3771 18.0000 179.5208 31 E 4.1006 7.9249 115.7659 59.5608 29.6866 179.2994 32 R 4.0566 7.9687 118.2819 59.1190 29.8965 178.4638 33 L 3.7908 7.8477 118.3212 57.3230 41.6886 178.8170 34 E 4.1712 7.9478 117.8988 57.9108 29.5702 177.5785 35 K 4.2961 7.0118 117.7976 54.7546 33.1079 174.8046 36 P 4.1573 0.0000 0.0000 63.2327 31.9539 177.7204 37 R 3.5874 8.8064 121.6188 59.3348 30.1951 179.0009 38 R 3.9728 7.8900 113.1981 58.8915 29.5514 177.6265 39 T 4.1778 8.0350 107.8178 63.0560 69.4225 174.9196 40 H 4.2933 7.5929 118.7485 55.8258 29.4335 174.7936 41 A 4.3449 8.1106 123.3924 52.2020 19.9574 177.1585 42 E 4.8592 8.5908 118.7978 55.0561 31.9843 174.5650 43 V 4.4769 8.8845 124.8380 61.0466 34.5497 174.5232 44 N 5.7771 8.3673 123.0823 51.0512 41.0735 176.0570 45 L 4.1134 8.5930 120.0231 57.9275 41.2918 180.1255 46 G 3.7052 8.1103 104.6701 47.5756 0.0000 175.1153 47 R 4.1228 7.7665 120.5667 58.9628 30.3135 178.3835 48 I 3.7198 7.7278 119.1289 64.6233 36.9956 177.7443 49 E 3.9273 8.3028 118.8470 59.2896 29.3847 178.4117 50 R 3.9398 7.5734 117.5922 57.8259 30.1915 176.2197 51 Y 4.7132 7.5592 112.0922 57.2588 39.5135 174.9480 52 A 4.6663 7.9759 123.7167 51.0789 20.5439 176.7862 53 Q 4.6104 8.0765 115.7290 54.2928 31.5418 174.4495 54 E 3.9708 8.6871 120.0070 58.3051 29.9567 177.1715 55 D 4.4193 8.8557 119.3328 54.5904 38.6272 173.3542 56 E 4.7130 7.6965 120.4111 54.2302 31.4945 175.6773 57 T 4.1934 8.3595 125.2976 63.9461 69.6796 173.9958 58 V 4.2801 8.9759 127.9811 62.5600 33.2260 174.7686 59 V 4.7687 9.2741 128.1591 61.2950 33.8871 174.3754 60 V 4.8345 8.9881 129.7477 59.0350 32.7063 175.2479 61 P 4.6945 0.0000 0.0000 61.8967 31.8086 175.1611 62 G 4.1740 6.6087 115.4976 47.5620 0.0000 175.3940 63 K 5.0392 9.2241 126.7285 54.1777 36.0624 173.7923 64 V 4.7629 8.3766 125.2505 61.2582 33.6608 174.5110 65 L 4.9994 10.2610 127.3168 52.3867 44.8509 176.7740 66 G 4.2092 8.5622 107.5526 47.1173 0.0000 173.4603 67 S 4.6392 8.2621 116.9527 58.2659 64.9267 175.7090 68 G 4.1438 8.9548 110.4983 44.5852 0.0000 172.2102 69 V 4.3768 7.9345 116.7551 60.6433 34.0498 174.7178 70 L 4.8339 8.4763 127.4106 53.5460 43.9966 175.4282 71 Q 4.4608 10.6092 125.1545 56.9373 30.5451 176.9378 72 K 3.9480 8.1994 115.6606 57.1303 32.6272 176.6809 73 D 5.4609 8.4804 122.5373 52.3962 40.3474 175.0650 74 V 4.5802 7.8909 115.7479 59.2080 36.2896 174.0421 75 T 4.8719 8.3543 118.9414 62.2991 70.3988 173.7407 76 V 4.8691 8.8160 126.8646 60.9915 34.2482 173.9853 77 A 5.9400 10.0971 130.3134 49.6794 21.1450 174.8694 78 A 5.1713 8.4955 122.4049 49.0981 22.8694 176.8800 79 V 3.5197 8.2467 118.9707 66.1293 31.9535 175.5302 80 D 4.6096 7.2513 117.0867 53.3451 44.7167 173.7981 81 F 5.4268 8.5702 119.9575 55.2585 42.7205 175.2189 82 S 4.3074 8.9558 117.9084 58.2175 63.4680 175.6815 83 G 3.6733 8.8278 107.1890 48.2525 0.0000 176.2048 84 T 3.9284 7.9023 117.3169 66.2137 68.5612 176.3851 85 A 4.0169 8.0954 122.7316 55.4452 18.3820 179.4413 86 E 3.6991 8.2705 117.3298 59.2206 29.3261 179.2549 87 T 3.9180 7.2362 114.8060 66.4888 68.5009 176.7668 88 K 4.4546 8.1561 121.9199 58.8840 31.9298 179.6366 89 I 3.7339 7.9165 120.1653 64.4785 36.9350 178.0379 90 D 4.5462 7.4447 118.7075 55.9421 40.6423 178.2721 91 Q 4.1770 7.8567 118.7243 57.7902 28.8173 177.5971 92 V 4.4812 7.7614 110.4313 61.0765 34.7466 174.4624 93 G 4.1437 8.5591 111.6102 44.4659 0.0000 174.1115 94 E 5.0768 9.5085 126.7272 54.5938 33.1571 173.0893 95 A 4.5046 9.3516 129.7535 51.0162 20.0741 176.6864 96 V 4.5891 8.7174 121.4943 60.9429 35.6468 174.9471 97 S 4.8085 8.7130 121.1483 57.7032 64.1310 174.9823 98 L 3.8416 8.2323 124.3315 58.2938 41.3015 179.3635 99 E 3.9206 7.9155 118.5678 58.9252 29.2559 178.9384 100 Q 3.8536 8.2249 118.3080 58.1926 29.0013 178.0443 101 A 4.0010 7.8230 121.3721 55.4761 18.3196 179.3507 102 I 3.0381 6.9676 116.6096 64.3957 37.0904 177.9534 103 E 4.0948 7.2800 118.7803 59.1313 29.7555 177.9050 104 N 4.6910 8.2649 113.7443 54.0638 40.4057 175.4619 105 N 5.0813 7.9844 118.1030 52.3244 40.5364 173.0582 106 P 4.7248 0.0000 0.0000 64.8835 32.0795 177.7846 107 E 4.2123 8.5288 117.2655 56.0098 30.3565 176.2181 108 G 3.4675 7.8809 107.1442 46.3223 0.0000 172.8361 109 S 4.5813 8.0963 111.6694 57.7208 66.4824 174.5148 110 H 4.0030 8.4503 116.7838 57.4344 25.8226 174.4384 111 V 4.8369 7.3006 116.2457 59.8164 35.0538 176.4200 112 R 4.5591 8.8950 122.8115 54.5603 32.9398 174.1867 113 V 4.5110 8.4366 126.5644 62.2947 32.1962 174.9619 114 I 4.7830 8.7116 128.4220 59.3774 40.7841 176.0654 115 R 4.1824 8.3858 121.6147 56.4515 29.4954 174.7958 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 4.03 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 2 K 8.10 4.10 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.40 4.31 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 7.93 4.42 0.00 2.75 2.70 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 4.34 0.00 2.19 2.07 0.00 3.64 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 2.10 2.16 0.00 6 R 8.86 3.85 0.00 1.92 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 1.72 0.00 7 L 8.16 4.09 0.00 1.75 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.90 4.04 0.00 4.09 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 9 S 8.05 4.12 0.00 4.03 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 10 L 8.45 3.93 0.00 1.66 1.80 0.87 1.02 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 11 I 7.76 3.69 2.03 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 1.09 0.92 0.00 0.00 12 A 8.01 4.01 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 13 D 8.50 4.28 0.00 2.72 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 14 L 8.10 3.90 0.00 1.86 1.94 0.91 0.54 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 15 K 7.82 3.96 0.00 2.02 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 16 S 8.11 4.09 0.00 3.89 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 17 A 8.10 4.06 1.39 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 0.00 0.00 0.00 18 A 7.85 4.26 1.47 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 0.00 0.00 19 R 7.95 4.08 0.00 1.84 2.01 0.00 3.20 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 1.68 1.79 0.00 20 S 8.03 4.17 0.00 3.98 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 21 S 8.04 4.39 0.00 4.32 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 22 G 8.56 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 0.00 0.00 0.00 23 G 7.47 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 0.00 0.00 0.00 24 A 8.04 4.55 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 7.46 3.46 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.45 0.00 0.00 26 W 7.65 4.95 0.00 3.33 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 8.19 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 28 D 8.07 4.34 0.00 3.03 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 8.62 3.65 2.42 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 1.10 0.00 0.00 1.16 0.00 0.00 30 A 8.33 4.01 1.44 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 0.00 0.00 31 E 7.92 4.10 0.00 2.15 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 2.47 0.00 32 R 7.97 4.06 0.00 1.95 2.03 0.00 3.31 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.85 3.79 0.00 1.77 1.68 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.95 4.17 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 2.52 0.00 35 K 7.01 4.30 0.00 1.93 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.64 7.81 36 P 0.00 4.16 0.00 2.16 1.99 0.00 3.64 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 2.12 2.14 0.00 37 R 8.81 3.59 0.00 1.78 1.93 0.00 3.10 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 38 R 7.89 3.97 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 8.04 4.18 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 1.22 0.00 0.00 40 H 7.59 4.29 0.00 3.31 3.25 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 4.34 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 42 E 8.59 4.86 0.00 1.81 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 2.21 2.30 0.00 43 V 8.88 4.48 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 1.02 0.00 0.00 0.95 0.00 0.00 44 N 8.37 5.78 0.00 2.70 2.98 0.00 0.00 7.63 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 8.59 4.11 0.00 1.86 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.11 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 47 R 7.77 4.12 0.00 1.93 2.00 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 48 I 7.73 3.72 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.93 0.97 0.00 0.00 49 E 8.30 3.93 0.00 1.94 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 0.00 2.41 2.32 0.00 50 R 7.57 3.94 0.00 1.70 1.39 0.00 2.48 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.29 0.00 51 Y 7.56 4.71 0.00 2.97 2.86 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 52 A 7.98 4.67 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 53 Q 8.08 4.61 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 54 E 8.69 3.97 0.00 1.98 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 2.60 2.36 0.00 55 D 8.86 4.42 0.00 2.84 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 56 E 7.70 4.71 0.00 1.91 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 2.22 2.39 0.00 57 T 8.36 4.19 4.32 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 1.36 0.00 0.00 58 V 8.98 4.28 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.27 4.77 2.14 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 1.08 0.00 0.00 1.12 0.00 0.00 60 V 8.99 4.83 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 1.02 0.00 0.00 0.96 0.00 0.00 61 P 0.00 4.69 0.00 2.23 2.24 0.00 3.92 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 62 G 6.61 4.17 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 0.00 0.00 0.00 63 K 9.22 5.04 0.00 1.72 1.55 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.31 7.81 64 V 8.38 4.76 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 1.11 0.00 0.00 0.90 0.00 0.00 65 L 10.26 5.00 0.00 1.87 1.54 0.93 0.72 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 66 G 8.56 4.21 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 67 S 8.26 4.64 0.00 3.98 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 68 G 8.95 4.14 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 0.00 69 V 7.93 4.38 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 8.48 4.83 0.00 1.59 1.51 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.61 4.46 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.20 3.95 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.78 7.81 73 D 8.48 5.46 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.58 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 0.87 0.00 0.00 0.96 0.00 0.00 75 T 8.35 4.87 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 1.26 0.00 0.00 76 V 8.82 4.87 2.24 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 1.24 0.00 0.00 1.01 0.00 0.00 77 A 10.10 5.94 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 78 A 8.50 5.17 0.54 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 79 V 8.25 3.52 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.25 4.61 0.00 2.75 2.35 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 81 F 8.57 5.43 0.00 2.86 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 82 S 8.96 4.31 0.00 3.95 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 8.83 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 0.00 0.00 0.00 84 T 7.90 3.93 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 1.23 0.00 0.00 85 A 8.10 4.02 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 8.27 3.70 0.00 1.99 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 2.19 2.07 0.00 87 T 7.24 3.92 4.40 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 1.20 0.00 0.00 88 K 8.16 4.45 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 89 I 7.92 3.73 1.78 0.00 0.00 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 1.54 1.02 0.86 0.00 0.00 90 D 7.44 4.55 0.00 2.62 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 7.86 4.18 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.72 0.00 92 V 7.76 4.48 2.22 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 0.75 0.00 0.00 0.99 0.00 0.00 93 G 8.56 4.14 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 0.00 94 E 9.51 5.08 0.00 2.02 1.73 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 2.16 2.23 0.00 95 A 9.35 4.50 0.58 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.72 4.59 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 1.03 0.00 0.00 0.93 0.00 0.00 97 S 8.71 4.81 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 98 L 8.23 3.84 0.00 1.67 1.59 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.92 3.92 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 2.27 2.30 0.00 100 Q 8.22 3.85 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 101 A 7.82 4.00 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 0.00 102 I 6.97 3.04 1.56 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 0.07 0.01 0.65 0.00 0.00 103 E 7.28 4.09 0.00 1.93 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 0.00 2.31 2.33 0.00 104 N 8.26 4.69 0.00 2.77 2.88 0.00 0.00 6.82 8.78 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 0.00 105 N 7.98 5.08 0.00 2.92 2.99 0.00 0.00 6.83 7.58 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 0.00 106 P 0.00 4.72 0.00 2.31 2.31 0.00 3.89 0.00 0.00 4.00 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 8.53 4.21 0.00 2.00 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 2.30 2.39 0.00 108 G 7.88 3.47 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 0.00 0.00 0.00 109 S 8.10 4.58 0.00 3.98 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 0.00 110 H 8.45 4.00 0.00 3.35 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.30 4.84 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 0.47 0.00 0.00 0.87 0.00 0.00 112 R 8.89 4.56 0.00 2.05 1.80 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.44 4.51 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 0.83 0.00 0.00 0.89 0.00 0.00 114 I 8.71 4.78 1.92 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 1.48 1.36 0.99 0.00 0.00 115 R 8.39 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