NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.3672 8.1814 115.2931 58.0108 63.4519 173.8561 18 G 3.7876 8.0650 110.8634 48.0842 0.0000 174.6591 19 L 3.9812 8.5598 121.7455 57.0336 42.3174 177.5712 20 E 3.8295 8.3123 118.0335 59.9102 29.2375 179.2448 21 D 4.2991 8.8954 119.2142 57.1706 40.7744 179.0409 22 K 3.9696 7.7395 118.5017 59.4227 32.3529 179.6935 23 V 3.5853 8.6982 119.6200 65.2951 31.4028 178.3360 24 S 3.5241 7.5652 114.5357 61.2928 62.8690 176.6955 25 K 4.2244 7.6452 124.1629 58.4829 31.5682 179.2051 26 Q 4.0152 8.1978 119.1508 58.7930 29.1442 178.1659 27 L 4.1843 7.7888 119.9314 57.8772 42.0101 179.1702 28 E 4.2527 8.2834 118.0730 59.2176 29.1059 179.2514 29 S 4.3361 8.0852 112.3997 60.0863 62.1368 174.5888 30 K 4.4199 8.4460 119.8355 55.7623 32.5558 177.7964 31 G 4.0628 7.9984 108.2352 45.4374 0.0000 174.6605 32 I 3.7133 7.0968 119.8735 61.3605 37.4401 175.9925 33 K 4.1778 8.5447 125.1686 55.0609 31.5702 176.3926 34 F 4.7808 8.0292 119.0688 55.5887 39.5597 175.0218 35 E 4.5670 8.8630 120.9366 54.8747 29.4610 175.0771 36 Y 4.6790 8.7935 125.6013 56.7392 39.5250 174.9375 37 E 3.8245 8.4235 127.3406 57.3233 27.4017 175.9036 38 E 3.9822 7.7232 119.8485 57.7222 30.1981 176.2751 39 W 4.8293 7.9289 117.2327 54.9594 30.6895 175.4824 40 K 4.6208 8.7147 122.0904 54.5563 33.7440 175.7464 41 V 4.3569 8.2669 122.4400 60.3617 32.8071 173.6876 42 P 4.5913 0.0000 0.0000 62.8545 32.2811 174.6904 43 Y 4.6798 7.4319 115.4537 56.5987 40.1055 173.4846 44 V 4.2409 8.3803 120.2213 61.2301 33.4948 174.9147 45 I 4.4315 7.9980 126.1847 59.0089 38.2698 174.2649 46 P 4.4816 0.0000 0.0000 61.5772 32.0453 176.0163 47 A 4.2421 8.2504 122.7241 52.6592 18.8420 177.1759 48 S 4.7183 8.0796 113.2156 56.6779 66.2045 173.4893 49 N 4.7588 8.4700 119.0643 53.2310 39.3496 174.1557 50 H 4.9548 8.3442 117.5273 54.8017 33.2332 172.6861 51 T 4.7021 8.2267 109.4448 60.1314 71.3765 172.5178 52 Y 4.7232 8.4986 124.7253 56.0348 40.9014 174.5338 53 T 4.1728 7.6989 123.2167 60.5685 69.4568 172.0644 54 P 4.2424 0.0000 0.0000 61.4512 32.1443 176.5826 55 D 4.2360 8.1310 120.7473 57.0854 41.1933 177.4905 56 F 4.8872 8.3479 116.3438 55.6901 42.9308 173.2455 57 L 4.8331 8.5184 126.3262 52.7791 43.0288 175.9156 58 L 4.2924 8.3248 126.8780 53.7880 42.1726 176.8911 59 P 4.4115 0.0000 0.0000 64.9646 31.7806 177.3806 60 N 4.2292 8.1663 117.0289 55.0581 38.4780 176.3399 61 G 3.9690 7.7982 104.9697 44.6110 0.0000 173.1737 62 I 3.9867 7.3540 121.4754 60.7974 38.6275 174.7653 63 F 5.2903 9.0577 126.3608 56.3965 41.0871 174.9326 64 V 4.9890 9.2562 123.5846 61.1463 34.3684 173.5217 65 E 5.0936 9.4409 129.9836 54.7470 31.4414 174.4988 66 T 4.8249 8.9990 118.2321 60.9474 70.3424 174.2045 67 A 4.2675 8.6923 127.2425 51.6525 21.9944 174.5187 68 G 3.7445 9.3247 112.6413 46.5622 0.0000 174.2977 69 L 4.2605 8.7947 119.4862 54.3130 43.3775 175.6803 70 W 4.7175 8.7973 135.0000 55.3761 31.4442 174.7017 71 E 4.3695 8.4120 126.2536 54.2186 32.4370 176.4088 72 S 3.7361 8.2237 112.7641 62.0366 62.0896 175.5738 73 D 4.2677 7.9417 120.6482 57.7480 40.6109 178.6775 74 D 4.2810 7.7931 118.3719 57.3407 40.8096 178.7440 75 R 3.2804 7.1578 118.3008 59.1076 29.9199 178.8912 76 K 3.7764 7.7443 117.9108 59.6381 32.0870 178.7453 77 K 3.7586 8.0789 119.6663 60.2781 32.1469 178.4420 78 H 4.1758 8.3275 115.9829 58.7549 28.6389 177.8996 79 L 4.1297 8.0934 120.9937 57.4065 41.4568 179.4397 80 L 3.9250 8.5357 119.4259 57.8869 41.6290 179.2887 81 I 3.7080 8.1941 120.0241 64.7093 36.8352 178.6321 82 R 3.9782 7.6869 117.1465 59.4103 29.9730 178.7061 83 E 4.1005 8.0056 117.2536 59.0987 29.5365 178.6977 84 Q 4.3091 7.9690 116.1480 56.5515 30.7409 175.9545 85 H 4.9545 8.4645 117.2536 53.5097 29.5574 172.4267 86 P 4.3501 0.0000 0.0000 64.8542 31.8907 177.9383 87 E 4.2273 8.0117 116.3555 57.7510 29.9917 176.8029 88 L 4.1637 7.9704 119.9069 54.4717 42.2988 176.2266 89 D 4.7449 8.6876 123.3288 52.9283 41.9746 173.9485 90 I 5.0272 8.2165 125.8124 59.4983 39.1688 175.3295 91 R 4.8409 9.2428 125.9694 54.3289 34.3233 174.4561 92 I 4.7344 8.4025 121.8053 59.5904 40.1232 175.0395 93 V 4.6230 8.4465 127.2708 61.2720 32.6690 174.6671 94 F 4.7764 8.9895 127.8568 57.0937 39.7549 176.8226 95 S 4.0851 9.2922 118.7287 61.5912 62.9442 174.6723 96 S 4.7678 8.2931 111.5188 58.4093 63.0527 175.2186 97 S 4.0095 9.6171 121.0998 59.2503 62.8122 176.9207 98 R 3.9658 7.2852 120.1724 58.7382 30.4256 177.3622 99 T 3.6596 7.5817 115.1120 63.6851 68.8643 173.1557 100 K 4.7016 7.8572 123.0681 54.6914 33.7657 177.7032 101 L 4.2664 7.9468 122.9997 58.2964 41.9912 176.9536 102 Y 4.6021 7.3971 113.6542 55.9047 40.7548 172.9926 103 K 4.1722 9.0180 119.2407 57.1514 31.9601 177.2177 104 G 3.8964 8.4849 115.7915 46.2869 0.0000 172.5176 105 S 4.0822 7.3990 111.4294 56.1624 63.5464 172.3519 106 P 4.3033 0.0000 0.0000 65.0305 31.7776 176.4139 107 T 4.5717 7.7491 117.5403 62.3991 69.6502 174.2324 108 S 4.9006 8.2847 120.9020 57.1519 65.9872 174.6364 109 Y 4.5911 7.9908 122.0605 62.0438 37.9305 179.1176 110 G 3.1474 7.9456 105.7919 47.6466 0.0000 174.9824 111 E 3.9900 8.9436 121.0826 58.9923 29.4524 179.6523 112 F 4.1581 8.5916 120.4170 61.5575 39.3178 177.0034 113 C 4.3530 8.1092 116.2286 62.9450 27.4525 175.7133 114 E 4.0960 8.1987 120.4485 59.1754 29.1424 178.3674 115 K 4.0885 7.9693 118.0853 58.4266 32.3424 177.2611 116 H 4.6712 7.7519 112.4608 55.1593 30.0943 174.8061 117 G 3.9356 7.7368 108.3923 44.8166 0.0000 173.4415 118 I 4.1352 7.8484 121.5329 60.5151 37.7996 176.1781 119 K 4.5163 8.8043 128.1718 56.4558 32.8563 176.2977 120 F 5.8935 8.8554 118.7145 55.7377 41.5727 172.9175 121 A 4.5690 9.2886 120.6766 50.8152 23.4762 173.9905 122 D 5.2655 8.3954 117.5329 53.8673 43.3063 177.6433 123 K 3.9569 9.6302 122.9605 58.0445 32.1743 175.3002 124 L 4.6579 8.2939 116.0691 52.6050 45.6030 176.0786 125 I 3.5743 7.9968 122.0220 60.0145 37.2879 175.2047 126 P 4.1724 0.0000 0.0000 62.1189 33.0763 177.4173 127 A 3.9816 8.2533 121.2194 55.3834 18.2504 179.6327 128 E 3.9178 8.2078 115.5059 59.8823 29.8518 179.1074 129 W 4.5357 8.5236 117.7980 60.6052 28.9061 178.5401 130 I 4.0272 7.4313 119.4032 63.5926 36.7151 177.9644 131 K 4.1777 8.4967 118.7968 57.0096 32.3714 176.9321 132 E 4.1918 7.3526 118.3302 56.1073 30.0323 174.8551 133 P 4.5673 0.0000 0.0000 61.7699 32.5802 175.8782 134 K 4.3800 8.3612 120.9054 56.6828 32.7563 176.0632 135 K 4.7525 8.5471 125.4081 54.2200 35.4990 176.0049 136 E 4.1405 8.8578 123.2628 56.4774 30.1228 176.4401 137 V 4.1779 8.2415 123.6949 60.3948 33.6907 174.4952 138 P 4.5728 0.0000 0.0000 61.3847 30.0613 176.4209 139 F 4.1634 8.0551 125.6014 60.5542 39.6532 176.9231 140 D 4.4215 8.4362 119.7414 57.2600 40.7580 177.4495 141 R 4.3163 8.0795 115.1446 56.3336 30.6327 175.6818 142 L 4.6964 7.6414 119.9688 53.2166 44.3746 176.1884 143 K 4.6183 8.1454 119.8424 52.8738 34.9962 174.1067 144 R 4.2730 8.3533 123.6387 55.0778 31.2416 176.0129 145 K 4.1489 8.6233 121.2859 56.5899 32.7044 175.8745 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 17 S 8.18 4.37 0.00 3.90 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 18 G 8.06 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 0.00 0.00 0.00 19 L 8.56 3.98 0.00 1.70 1.71 0.92 0.88 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 20 E 8.31 3.83 0.00 2.23 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 2.59 2.50 0.00 21 D 8.90 4.30 0.00 2.89 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 22 K 7.74 3.97 0.00 1.91 1.82 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 23 V 8.70 3.59 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 0.95 0.00 0.00 0.96 0.00 0.00 24 S 7.57 3.52 0.00 4.00 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 25 K 7.65 4.22 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.39 7.81 26 Q 8.20 4.02 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 27 L 7.79 4.18 0.00 1.94 1.90 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.28 4.25 0.00 2.12 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 0.00 2.43 2.72 0.00 29 S 8.09 4.34 0.00 4.00 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 30 K 8.45 4.42 0.00 1.94 1.78 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.35 7.81 31 G 8.00 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 32 I 7.10 3.71 1.97 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 1.34 0.62 1.00 0.00 0.00 33 K 8.54 4.18 0.00 1.73 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 34 F 8.03 4.78 0.00 3.19 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 35 E 8.86 4.57 0.00 2.16 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 2.29 2.38 0.00 36 Y 8.79 4.68 0.00 3.49 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 37 E 8.42 3.82 0.00 1.36 1.71 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 1.96 1.70 0.00 38 E 7.72 3.98 0.00 1.90 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 0.00 1.47 1.72 0.00 39 W 7.93 4.83 0.00 3.34 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 40 K 8.71 4.62 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 41 V 8.27 4.36 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 0.91 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.59 0.00 2.22 2.03 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 43 Y 7.43 4.68 0.00 3.05 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 44 V 8.38 4.24 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 0.85 0.00 0.00 0.94 0.00 0.00 45 I 8.00 4.43 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.98 0.96 0.00 0.00 46 P 0.00 4.48 0.00 2.05 2.01 0.00 3.72 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 2.04 2.10 0.00 47 A 8.25 4.24 1.25 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 0.00 0.00 48 S 8.08 4.72 0.00 3.91 3.81 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 49 N 8.47 4.76 0.00 2.71 2.78 0.00 0.00 6.74 8.16 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 50 H 8.34 4.95 0.00 3.08 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.23 4.70 4.25 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 1.22 0.00 0.00 52 Y 8.50 4.72 0.00 2.92 2.78 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 0.00 0.00 0.00 0.00 53 T 7.70 4.17 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 1.05 0.00 0.00 54 P 0.00 4.24 0.00 2.20 1.89 0.00 2.92 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.09 0.00 55 D 8.13 4.24 0.00 3.04 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 0.00 0.00 0.00 0.00 56 F 8.35 4.89 0.00 3.37 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 57 L 8.52 4.83 0.00 1.45 1.56 -0.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.32 4.29 0.00 1.73 1.58 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.41 0.00 2.17 2.17 0.00 3.78 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 1.98 1.98 0.00 60 N 8.17 4.23 0.00 2.76 2.89 0.00 0.00 7.37 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.80 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 0.00 0.00 0.00 62 I 7.35 3.99 1.81 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 1.16 0.77 0.80 0.00 0.00 63 F 9.06 5.29 0.00 3.26 2.93 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 0.00 0.00 0.00 64 V 9.26 4.99 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 1.17 0.00 0.00 65 E 9.44 5.09 0.00 2.34 1.87 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 2.38 2.22 0.00 66 T 9.00 4.82 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 1.50 0.00 0.00 67 A 8.69 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.32 3.74 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 0.00 0.00 0.00 69 L 8.79 4.26 0.00 1.75 1.72 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.80 4.72 0.00 3.00 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 0.00 0.00 0.00 71 E 8.41 4.37 0.00 2.14 1.77 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 2.27 2.33 0.00 72 S 8.22 3.74 0.00 3.71 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 73 D 7.94 4.27 0.00 2.63 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 74 D 7.79 4.28 0.00 2.38 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 75 R 7.16 3.28 0.00 1.42 1.33 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.73 0.00 76 K 7.74 3.78 0.00 1.94 1.80 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 77 K 8.08 3.76 0.00 1.85 1.76 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.07 1.37 7.81 78 H 8.33 4.18 0.00 3.58 3.48 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.09 4.13 0.00 1.84 1.73 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.54 3.92 0.00 1.80 1.68 0.87 0.99 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 81 I 8.19 3.71 1.79 0.00 0.00 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 1.54 0.61 0.95 0.00 0.00 82 R 7.69 3.98 0.00 2.06 2.02 0.00 3.21 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 1.70 1.72 0.00 83 E 8.01 4.10 0.00 2.09 2.00 0.00 0.00 0.00 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 2.59 0.00 84 Q 7.97 4.31 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.26 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 85 H 8.46 4.95 0.00 3.18 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.35 0.00 2.04 2.12 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.25 0.00 87 E 8.01 4.23 0.00 1.95 2.00 0.00 0.00 0.00 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 2.33 0.00 88 L 7.97 4.16 0.00 1.64 1.66 0.76 0.86 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 89 D 8.69 4.74 0.00 2.77 2.54 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 90 I 8.22 5.03 1.96 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 1.38 0.85 1.10 0.00 0.00 91 R 9.24 4.84 0.00 1.14 1.46 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.24 0.00 92 I 8.40 4.73 1.18 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 -0.71 0.00 0.00 93 V 8.45 4.62 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 0.94 0.00 0.00 0.94 0.00 0.00 94 F 8.99 4.78 0.00 3.27 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 95 S 9.29 4.09 0.00 4.06 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 96 S 8.29 4.77 0.00 3.88 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 97 S 9.62 4.01 0.00 3.68 4.28 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 98 R 7.29 3.97 0.00 1.89 1.96 0.00 3.19 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 99 T 7.58 3.66 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 0.82 0.00 0.00 100 K 7.86 4.70 0.00 1.60 1.49 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.25 7.81 101 L 7.95 4.27 0.00 1.75 1.93 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.40 4.60 0.00 3.03 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 0.00 103 K 9.02 4.17 0.00 1.91 1.89 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 104 G 8.48 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 0.00 105 S 7.40 4.08 0.00 2.72 3.23 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 0.00 106 P 0.00 4.30 0.00 2.19 2.14 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 107 T 7.75 4.57 4.28 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 1.34 0.00 0.00 108 S 8.28 4.90 0.00 4.15 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 0.00 109 Y 7.99 4.59 0.00 2.49 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 0.00 0.00 0.00 0.00 110 G 7.95 3.15 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 0.00 111 E 8.94 3.99 0.00 2.18 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 0.00 2.38 2.37 0.00 112 F 8.59 4.16 0.00 3.21 3.39 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 0.00 113 C 8.11 4.35 0.00 2.68 3.32 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 0.00 114 E 8.20 4.10 0.00 2.31 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 2.46 2.49 0.00 115 K 7.97 4.09 0.00 1.89 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.41 7.81 116 H 7.75 4.67 0.00 3.02 3.19 0.00 5.89 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.74 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 0.00 118 I 7.85 4.14 2.06 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 1.37 0.70 1.03 0.00 0.00 119 K 8.80 4.52 0.00 1.67 1.66 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.54 7.81 120 F 8.86 5.89 0.00 3.47 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 0.00 121 A 9.29 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.40 5.27 0.00 2.78 2.52 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 0.00 123 K 9.63 3.96 0.00 1.86 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.60 7.81 124 L 8.29 4.66 0.00 1.36 1.36 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.00 3.57 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.33 0.96 0.00 0.00 126 P 0.00 4.17 0.00 1.45 1.60 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.54 0.00 127 A 8.25 3.98 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 0.00 128 E 8.21 3.92 0.00 2.13 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 0.00 2.35 2.44 0.00 129 W 8.52 4.54 0.00 3.50 3.22 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 0.00 130 I 7.43 4.03 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 0.92 0.00 0.00 131 K 8.50 4.18 0.00 1.94 1.98 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 132 E 7.35 4.19 0.00 2.17 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 0.00 2.37 2.65 0.00 133 P 0.00 4.57 0.00 2.17 2.04 0.00 3.76 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 1.97 1.94 0.00 134 K 8.36 4.38 0.00 1.79 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.59 7.81 135 K 8.55 4.75 0.00 1.59 1.62 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.35 7.81 136 E 8.86 4.14 0.00 1.84 1.89 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 2.32 2.26 0.00 137 V 8.24 4.18 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 -0.32 0.00 0.00 0.74 0.00 0.00 138 P 0.00 4.57 0.00 2.23 2.16 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 139 F 8.06 4.16 0.00 3.24 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 0.00 140 D 8.44 4.42 0.00 2.66 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 0.00 141 R 8.08 4.32 0.00 1.78 1.97 0.00 3.37 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 142 L 7.64 4.70 0.00 1.73 1.62 0.95 0.67 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 0.00 143 K 8.15 4.62 0.00 1.71 1.52 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.96 7.81 144 R 8.35 4.27 0.00 1.78 1.85 0.00 3.15 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 145 K 8.62 4.15 0.00 1.80 2.11 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.34 7.81