NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7995 8.2893 120.2770 55.1716 33.7244 174.2773 2 K 4.1659 9.2422 124.5290 55.3137 34.6358 174.2072 3 K 4.9309 9.3121 126.1055 54.3025 34.1273 176.5692 4 L 4.8896 9.1524 126.5700 53.3101 43.7324 175.5017 5 L 4.7824 9.1771 125.9395 53.0404 44.6784 174.6221 6 F 5.5378 9.0215 128.6784 56.3063 41.8654 173.8031 7 A 4.4352 8.6392 129.5894 51.3994 18.6535 176.3844 8 I 3.6187 7.7677 116.9105 59.6063 39.3752 174.9842 9 D 4.8187 8.0076 123.0754 53.0224 45.5713 175.1780 10 D 4.7943 8.4410 120.1806 54.0671 40.1480 175.7039 11 T 4.8007 7.2058 111.1641 59.4903 73.7814 174.5015 12 E 4.2953 8.9445 122.5240 58.9092 29.4556 179.3393 13 A 4.0069 8.0571 120.6112 55.3956 18.3602 179.0824 14 C 4.2270 8.3469 117.1193 62.5907 31.1024 175.5113 15 E 4.0893 8.2085 119.9455 59.6380 29.0408 179.6171 16 R 3.9811 8.3449 117.8648 59.1590 30.0481 178.8686 17 A 4.0045 8.4304 120.6180 55.1443 18.4859 179.4645 18 A 4.0085 8.3704 119.3354 55.5216 18.3945 179.7151 19 Q 4.2897 8.0242 117.5927 59.5228 29.0632 177.7089 20 Y 4.0805 8.4034 120.7750 60.6276 38.8345 177.9506 21 I 3.8871 8.2488 121.0535 64.5035 37.2705 178.2808 22 L 4.1572 8.1320 119.3811 58.1573 41.2909 179.4355 23 D 4.3047 8.1955 117.6469 57.2696 40.7801 178.0575 24 M 3.8815 7.7649 117.8280 56.0073 32.7302 176.9284 25 F 4.8925 8.4404 115.1024 56.6581 40.9158 177.0914 26 G 3.6899 8.4052 113.1836 49.1578 0.0000 175.5602 27 K 4.2038 7.9153 117.9939 54.4878 32.4221 177.8544 28 D 4.6285 8.0699 119.8482 54.2863 40.9916 176.4994 29 A 4.3067 8.6002 129.1247 53.4688 19.2269 176.7572 30 D 4.9402 8.7639 115.9518 54.0849 42.1975 175.3410 31 C 5.2995 7.6682 116.1626 58.2786 30.2179 173.3829 32 T 4.7419 8.6498 113.0947 59.8087 71.5792 172.7228 33 L 4.8631 8.4561 124.9876 53.6407 45.0815 174.8202 34 T 5.2069 9.0400 122.7259 61.8457 71.9543 172.8588 35 L 4.9165 9.3156 126.5619 53.3718 44.0545 175.3385 36 I 4.9111 8.4247 123.3167 59.3542 41.1589 173.4583 37 H 5.0523 9.1055 128.4152 54.2019 33.1072 171.9897 38 V 4.6582 7.8389 124.8339 60.8281 33.4809 174.9339 39 K 4.3183 8.9264 129.2315 55.3451 32.8889 175.3780 40 P 5.0069 0.0000 0.0000 62.0054 32.2116 176.1806 41 E 4.1740 8.5841 120.1703 55.7332 30.1390 176.8213 42 F 4.0117 8.6771 124.0014 58.6765 39.6954 174.4383 43 M 4.7791 7.8846 126.9899 54.1682 35.0339 173.5732 44 L 4.6815 7.9840 124.3768 52.0719 46.2125 176.3781 45 Y 4.4847 8.2431 118.1122 57.7205 39.9495 177.4315 46 G 3.8290 8.9617 109.5063 48.2472 0.0000 175.8796 47 E 4.0198 8.3055 120.0241 59.2650 29.5330 179.1560 48 A 4.0910 8.0657 120.3860 54.8849 18.7287 179.5094 49 V 3.8165 8.0362 116.9316 66.4167 31.3617 178.3703 50 L 4.1475 7.8378 117.2213 57.7460 41.6216 178.9729 51 A 4.3035 8.0695 119.4973 54.5921 18.6282 178.9143 52 A 4.5658 8.3985 117.7368 52.0301 20.7562 177.2904 53 Y 4.1082 8.0917 120.8930 62.6880 38.7082 178.4548 54 D 4.5890 8.3605 119.1370 57.3145 41.1341 178.2029 55 E 4.2120 8.1464 116.7569 58.4549 30.0165 178.7688 56 I 3.8183 7.9547 124.0694 64.8569 37.0692 178.6047 57 E 3.9805 7.7203 117.9170 61.1578 29.5211 181.0047 58 M 4.2807 8.0566 121.1385 59.1916 32.3959 179.2008 59 K 4.0376 8.1430 123.8499 59.6906 31.5246 180.4982 60 E 4.1539 8.2352 119.8823 59.2534 29.5490 178.5640 61 E 4.0426 8.0640 119.3756 59.1238 29.6990 178.4024 62 E 3.9663 8.3222 119.5726 58.9256 29.5852 178.8362 63 K 3.8757 8.1592 118.4884 59.4077 32.1574 179.0044 64 A 3.8461 7.5969 119.4801 54.9364 18.2344 179.5205 65 K 3.8287 7.9677 117.9868 59.8127 32.3373 178.9843 66 L 3.9746 8.4018 119.5126 57.7035 41.4931 179.6560 67 L 4.0557 8.1552 119.2915 58.1198 41.6182 179.7397 68 T 4.0714 7.9339 109.7177 64.7598 68.6154 176.7916 69 Q 3.9869 8.4430 121.2578 58.5079 28.7775 178.1420 70 K 3.7199 8.0921 120.7133 59.8925 32.2906 178.8053 71 F 4.3243 8.1944 117.5242 60.2647 38.8685 178.1376 72 S 4.3949 8.5314 115.2860 61.8463 62.6136 176.7696 73 T 3.9514 8.2484 120.0306 66.0324 67.1143 176.2062 74 F 3.9601 8.1743 122.5409 61.5219 39.2991 177.2282 75 F 4.4236 8.3088 116.9638 60.5465 38.8524 178.0174 76 T 4.2125 8.1145 110.8201 64.4678 68.2386 176.2227 77 E 4.2319 8.3223 122.3937 58.3880 29.3955 178.9465 78 K 4.5285 7.1165 119.6251 56.0749 32.5496 182.1503 79 G 4.1061 8.1172 107.1263 46.2374 0.0000 173.7213 80 I 4.2729 7.9543 121.2605 59.3512 38.6414 174.5007 81 N 4.9026 8.4816 125.3951 51.3124 37.8513 172.2612 82 P 4.6168 0.0000 0.0000 62.1329 32.8035 176.2198 83 F 4.5499 8.8926 120.2802 57.4654 40.5241 174.7287 84 V 4.8265 8.4706 120.6365 61.2058 34.2625 174.6173 85 V 4.5118 9.2702 127.7708 61.0854 34.3192 173.9831 86 I 4.9837 8.4848 127.8496 59.5440 39.6267 174.9023 87 K 4.7341 8.9102 125.4245 54.4077 36.2475 174.4818 88 E 4.9354 9.6611 121.4211 53.4208 31.7751 176.1736 89 G 3.7665 7.8271 113.0648 45.3407 0.0000 170.1969 90 E 4.3976 8.1641 122.2372 55.0977 30.3169 176.2549 91 P 4.2415 0.0000 0.0000 65.7490 31.5692 178.4823 92 V 4.0455 8.2556 116.3564 66.2752 31.4652 177.1577 93 E 3.9553 8.4490 118.7496 59.8328 29.4610 178.8614 94 M 4.0488 8.2265 118.4242 58.3629 31.9779 178.9857 95 V 3.5137 8.1186 118.6485 65.9687 31.5020 178.0754 96 L 3.9236 7.8143 117.5260 57.6501 41.6094 178.7740 97 E 4.0637 8.3242 119.2827 59.3319 29.6529 178.4546 98 E 3.9722 8.3080 119.0555 59.3109 29.8475 178.4940 99 A 4.1451 8.2820 120.6692 54.9893 18.0795 179.5031 100 K 4.0004 7.7239 116.4875 58.9113 32.0191 177.3993 101 D 4.7446 7.7508 116.5285 53.9170 40.8841 174.9869 102 Y 4.7323 7.7303 116.1365 56.5115 41.6309 174.6917 103 N 4.8964 9.1728 117.2624 54.1179 40.6125 175.8717 104 L 4.7964 7.7361 119.9928 53.4066 46.0760 174.0964 105 L 5.1198 8.7840 128.2181 53.4747 44.5743 174.8344 106 I 5.1169 8.9825 127.0347 59.6830 40.4592 174.6822 107 I 5.0920 8.8041 126.5202 59.5674 41.6959 174.5330 108 G 4.1413 8.9676 113.8214 45.7521 0.0000 172.9411 109 S 4.7942 9.2004 121.5167 58.0667 63.1958 173.2230 110 S 4.6119 8.4638 121.9123 57.8997 65.0768 176.0730 111 E 3.9427 8.9769 121.3109 58.4876 29.6271 178.2979 112 N 4.8655 7.9042 112.7385 53.1436 39.0735 174.9850 113 S 4.5160 7.5516 115.1050 57.5470 63.6157 175.1226 114 F 4.4833 8.5092 114.7202 59.2134 37.1336 176.3768 115 L 3.7537 6.9345 120.8597 54.7651 41.6848 177.2688 116 N 4.8251 8.4594 114.3086 52.2319 36.6672 173.8411 117 K 4.3512 6.8306 114.0161 55.4187 35.4839 175.3757 118 I 3.7116 7.9009 121.2700 60.6754 38.6433 175.4608 119 F 4.2753 8.5367 124.8327 57.5162 39.4490 174.8775 120 A 4.5227 9.3285 128.4157 53.3433 20.4094 176.7625 121 S 4.7383 8.2698 108.5796 56.3724 65.7434 174.4439 122 H 4.3681 8.5885 119.1509 58.2291 28.3279 176.3645 123 Q 4.2468 7.7065 117.7490 56.6372 29.0875 176.5415 124 D 4.4775 7.9161 119.3627 54.6626 42.5746 176.6568 125 D 4.3712 8.8902 122.7620 57.6667 41.3304 178.5835 126 F 4.0563 8.3314 120.2975 61.4209 39.2531 176.7833 127 I 3.8655 8.1799 117.5173 64.8530 37.0832 178.1198 128 Q 4.1444 8.2358 117.3032 58.4856 28.5577 178.3219 129 K 4.1499 7.8912 118.0965 56.7231 32.5940 177.3733 130 A 3.8373 7.0741 122.4571 51.9159 18.5165 175.7180 131 P 4.4895 0.0000 0.0000 63.5859 32.1101 175.4395 132 I 4.7340 7.1441 111.0564 58.1469 41.0859 172.6629 133 P 4.4550 0.0000 0.0000 62.9022 32.2762 175.7257 134 V 4.9232 8.3510 122.2367 60.9882 34.3970 174.1745 135 L 4.7130 9.2923 129.5875 53.3760 44.4132 174.7297 136 I 4.6925 8.3070 127.0828 59.5597 39.1683 174.9808 137 V 4.1136 8.5349 127.5076 60.9108 33.7262 175.9985 138 K 4.1831 8.4176 125.7188 56.6173 32.1636 176.3391 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 M 8.29 4.80 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 2 K 9.24 4.17 0.00 1.80 1.94 0.00 1.37 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.42 7.81 3 K 9.31 4.93 0.00 1.72 1.88 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.40 1.22 7.81 4 L 9.15 4.89 0.00 1.48 1.41 0.33 -0.31 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 5 L 9.18 4.78 0.00 0.67 1.20 0.37 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.02 5.54 0.00 2.94 2.77 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 7 A 8.64 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.77 3.62 1.03 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 1.04 0.50 -0.41 0.00 0.00 9 D 8.01 4.82 0.00 2.65 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 0.00 0.00 0.00 0.00 10 D 8.44 4.79 0.00 2.64 2.63 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 11 T 7.21 4.80 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 1.23 0.00 0.00 12 E 8.94 4.30 0.00 2.05 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 2.59 2.25 0.00 13 A 8.06 4.01 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 14 C 8.35 4.23 0.00 3.04 3.20 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 0.00 15 E 8.21 4.09 0.00 2.26 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 0.00 2.28 2.63 0.00 16 R 8.34 3.98 0.00 2.04 2.00 0.00 3.14 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 1.68 1.85 0.00 17 A 8.43 4.00 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 18 A 8.37 4.01 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 19 Q 8.02 4.29 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 20 Y 8.40 4.08 0.00 3.24 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 21 I 8.25 3.89 2.21 0.00 0.00 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 1.54 0.44 0.99 0.00 0.00 22 L 8.13 4.16 0.00 2.13 1.79 0.67 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.20 4.30 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.76 3.88 0.00 0.99 1.34 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.67 0.00 25 F 8.44 4.89 0.00 3.08 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 26 G 8.41 3.69 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 0.00 0.00 0.00 27 K 7.92 4.20 0.00 1.79 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 0.99 7.81 28 D 8.07 4.63 0.00 2.78 2.82 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 0.00 0.00 0.00 0.00 29 A 8.60 4.31 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 30 D 8.76 4.94 0.00 2.76 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 31 C 7.67 5.30 0.00 3.14 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 32 T 8.65 4.74 4.51 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 1.32 0.00 0.00 33 L 8.46 4.86 0.00 1.60 1.37 nan -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.04 5.21 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 1.33 0.00 0.00 35 L 9.32 4.92 0.00 1.56 1.48 1.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.42 4.91 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.53 0.67 0.00 0.00 37 H 9.11 5.05 0.00 3.17 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.84 4.66 1.94 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 0.85 0.00 0.00 0.76 0.00 0.00 39 K 8.93 4.32 0.00 1.73 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.57 7.81 40 P 0.00 5.01 0.00 2.05 2.05 0.00 3.36 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 41 E 8.58 4.17 0.00 2.01 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 2.34 2.32 0.00 42 F 8.68 4.01 0.00 2.99 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 43 M 7.88 4.78 0.00 1.84 1.84 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 2.43 2.40 0.00 44 L 7.98 4.68 0.00 1.56 1.44 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.24 4.48 0.00 3.09 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 46 G 8.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.02 0.00 2.01 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 2.39 2.36 0.00 48 A 8.07 4.09 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 49 V 8.04 3.82 2.39 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 1.25 0.00 0.00 1.26 0.00 0.00 50 L 7.84 4.15 0.00 1.86 1.74 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.07 4.30 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 52 A 8.40 4.57 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 53 Y 8.09 4.11 0.00 3.56 3.06 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 54 D 8.36 4.59 0.00 2.82 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 55 E 8.15 4.21 0.00 2.20 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 0.00 2.62 2.40 0.00 56 I 7.95 3.82 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.79 0.00 0.00 57 E 7.72 3.98 0.00 2.02 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 0.00 2.24 2.19 0.00 58 M 8.06 4.28 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 59 K 8.14 4.04 0.00 1.82 1.81 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 60 E 8.24 4.15 0.00 2.25 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 0.00 2.28 2.36 0.00 61 E 8.06 4.04 0.00 2.09 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 2.32 2.37 0.00 62 E 8.32 3.97 0.00 2.22 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 2.30 2.35 0.00 63 K 8.16 3.88 0.00 2.05 1.84 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 64 A 7.60 3.85 1.42 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 0.00 0.00 0.00 65 K 7.97 3.83 0.00 1.87 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.50 7.81 66 L 8.40 3.97 0.00 1.70 1.69 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.16 4.06 0.00 1.75 1.73 0.81 0.85 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 68 T 7.93 4.07 4.30 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 1.30 0.00 0.00 69 Q 8.44 3.99 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 70 K 8.09 3.72 0.00 1.75 1.71 0.00 1.40 0.00 0.00 1.16 0.00 0.00 2.30 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.68 1.21 7.81 71 F 8.19 4.32 0.00 3.27 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 72 S 8.53 4.39 0.00 4.10 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 73 T 8.25 3.95 4.41 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 1.21 0.00 0.00 74 F 8.17 3.96 0.00 3.02 3.03 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 75 F 8.31 4.42 0.00 3.34 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 76 T 8.11 4.21 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 1.31 0.00 0.00 77 E 8.32 4.23 0.00 1.94 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 2.31 2.40 0.00 78 K 7.12 4.53 0.00 1.82 1.65 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.29 7.81 79 G 8.12 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 0.00 0.00 0.00 0.00 80 I 7.95 4.27 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.84 0.00 0.00 81 N 8.48 4.90 0.00 2.60 2.64 0.00 0.00 7.27 7.69 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 82 P 0.00 4.62 0.00 2.13 1.91 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 83 F 8.89 4.55 0.00 3.09 3.03 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 84 V 8.47 4.83 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 0.83 0.00 0.00 1.00 0.00 0.00 85 V 9.27 4.51 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 1.00 0.00 0.00 0.98 0.00 0.00 86 I 8.48 4.98 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 1.38 0.82 0.94 0.00 0.00 87 K 8.91 4.73 0.00 1.59 1.65 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.44 7.81 88 E 9.66 4.94 0.00 1.92 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 2.19 2.46 0.00 89 G 7.83 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 0.00 0.00 0.00 90 E 8.16 4.40 0.00 2.04 1.88 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 2.40 2.36 0.00 91 P 0.00 4.24 0.00 2.61 2.20 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 92 V 8.26 4.05 2.51 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 1.33 0.00 0.00 1.03 0.00 0.00 93 E 8.45 3.96 0.00 2.19 2.19 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 2.33 2.39 0.00 94 M 8.23 4.05 0.00 2.04 2.17 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 2.61 2.88 0.00 95 V 8.12 3.51 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 1.20 0.00 0.00 0.32 0.00 0.00 96 L 7.81 3.92 0.00 1.80 1.64 0.82 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.32 4.06 0.00 2.13 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 0.00 2.31 2.37 0.00 98 E 8.31 3.97 0.00 2.20 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 2.20 2.40 0.00 99 A 8.28 4.15 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 0.00 100 K 7.72 4.00 0.00 1.79 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.62 7.81 101 D 7.75 4.74 0.00 2.46 2.36 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 0.00 102 Y 7.73 4.73 0.00 2.93 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 0.00 103 N 9.17 4.90 0.00 2.65 2.85 0.00 0.00 6.71 7.74 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 0.00 104 L 7.74 4.80 0.00 1.67 1.33 1.03 0.48 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 0.00 105 L 8.78 5.12 0.00 1.85 1.56 0.98 1.16 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 0.00 106 I 8.98 5.12 1.91 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 1.25 0.99 0.86 0.00 0.00 107 I 8.80 5.09 1.89 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 1.43 0.88 1.21 0.00 0.00 108 G 8.97 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 0.00 109 S 9.20 4.79 0.00 4.07 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 0.00 110 S 8.46 4.61 0.00 3.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 3.94 0.00 1.93 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 0.00 2.32 1.91 0.00 112 N 7.90 4.87 0.00 2.69 2.84 0.00 0.00 7.01 6.93 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 0.00 113 S 7.55 4.52 0.00 4.03 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 0.00 114 F 8.51 4.48 0.00 3.15 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 6.93 3.75 0.00 1.11 1.20 -0.46 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.46 4.83 0.00 2.70 2.80 0.00 0.00 6.76 7.51 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 0.00 117 K 6.83 4.35 0.00 1.48 1.58 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 1.02 7.81 118 I 7.90 3.71 1.80 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 1.42 0.88 0.86 0.00 0.00 119 F 8.54 4.28 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 0.00 120 A 9.33 4.52 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 0.00 121 S 8.27 4.74 0.00 3.80 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 0.00 122 H 8.59 4.37 0.00 3.30 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.71 4.25 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.17 0.00 124 D 7.92 4.48 0.00 3.05 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 0.00 125 D 8.89 4.37 0.00 2.81 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 0.00 126 F 8.33 4.06 0.00 3.26 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 0.00 127 I 8.18 3.87 2.15 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 1.97 1.05 1.03 0.00 0.00 128 Q 8.24 4.14 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 129 K 7.89 4.15 0.00 1.56 1.74 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.57 7.81 130 A 7.07 3.84 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 0.00 131 P 0.00 4.49 0.00 2.19 2.16 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 132 I 7.14 4.73 1.90 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 1.45 0.75 1.03 0.00 0.00 133 P 0.00 4.46 0.00 2.13 2.04 0.00 3.73 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 2.13 2.11 0.00 134 V 8.35 4.92 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 0.86 0.00 0.00 1.07 0.00 0.00 135 L 9.29 4.71 0.00 1.76 1.54 1.24 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.31 4.69 1.68 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 0.63 0.00 0.00 137 V 8.53 4.11 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 0.63 0.00 0.00 0.73 0.00 0.00 138 K 8.42 4.18 0.00 1.73 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81