NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.4864 8.1514 120.3367 54.9948 33.7841 176.2900 18 G 3.3813 8.5303 106.8835 47.2030 0.0000 174.2905 19 L 3.9622 8.6608 124.4976 57.6391 42.6043 177.0707 20 E 3.9341 8.1407 117.9799 59.6170 29.4025 178.7852 21 D 4.6873 8.6331 119.7214 56.3929 41.1810 178.3728 22 K 3.8847 8.4148 119.6227 59.5258 32.1576 179.3023 23 V 3.5231 7.9256 118.8371 66.1095 31.4834 178.2035 24 S 3.9267 8.0726 113.7263 60.8954 62.7725 176.6325 25 K 3.9185 8.1264 122.6558 59.2928 31.8067 178.5952 26 Q 3.9486 8.3497 120.1323 59.5755 28.8455 179.0475 27 L 3.9848 7.6453 119.0396 57.6931 41.6476 179.1453 28 E 4.0308 8.4765 119.3900 59.2748 29.4360 178.7673 29 S 4.1285 8.1219 113.0884 61.7094 63.1199 176.4963 30 K 4.0874 8.0662 121.3361 56.7238 31.7390 177.8072 31 G 3.7878 7.8881 106.8397 46.0294 0.0000 173.8188 32 I 3.9601 8.0321 121.5546 59.7890 36.3823 176.0528 33 K 4.0411 8.5959 128.1418 56.1892 32.0657 175.9088 34 F 5.0730 7.8696 120.1104 55.2926 41.0894 173.3476 35 E 4.6412 9.0427 120.7853 54.8770 30.8021 174.9594 36 Y 4.8232 8.7512 125.3003 57.5791 40.2726 175.4065 37 E 3.5994 8.2867 128.5155 57.3825 27.1808 174.9668 38 E 4.0912 8.0649 119.9761 56.7675 31.1427 175.5802 39 W 4.7535 7.9527 116.3402 54.5738 31.6203 174.9741 40 K 4.5527 8.6075 120.3591 54.6041 33.9157 176.2248 41 V 4.0920 8.2675 123.1701 60.5680 31.3053 173.7488 42 P 4.3681 0.0000 0.0000 62.8894 31.2246 175.3653 43 Y 4.9626 8.1629 120.6326 55.5103 41.3243 173.9145 44 S 4.2759 8.3643 112.0820 57.0522 65.3842 172.2017 45 N 5.1003 8.1972 122.3179 52.4020 41.7901 173.4594 46 N 4.9239 8.5130 118.3861 52.5401 37.4074 175.3100 47 Q 3.9420 8.8426 120.4803 59.4970 29.3752 178.0618 48 Q 4.6754 7.4544 119.4368 53.7026 27.8207 174.5793 49 N 4.7886 7.9720 118.7805 53.4183 41.1224 171.6826 50 Y 4.3666 8.3009 117.9001 55.6773 39.9111 175.5627 51 S 4.5408 8.4075 120.6003 56.8952 64.3685 174.1872 52 S 4.3172 8.5713 119.8600 58.4227 63.5462 172.8728 53 H 5.1738 8.5186 120.2499 54.3455 32.6710 172.2143 54 T 4.7189 8.2109 108.4655 60.3942 71.4174 172.7028 55 Y 4.5566 8.4806 123.5591 56.3033 40.8012 175.0935 56 T 4.1310 7.9910 125.0152 61.0541 68.2487 173.0386 57 P 4.2648 0.0000 0.0000 62.2887 32.2251 177.1282 58 D 4.1947 8.5831 120.1160 56.8768 41.0586 177.2825 59 F 4.8371 8.8443 117.0633 55.3015 42.3650 174.0665 60 L 4.6681 8.3718 124.4706 53.0246 43.6987 176.1750 61 L 4.3567 8.6102 127.1673 53.4607 42.6068 176.4807 62 P 4.2398 0.0000 0.0000 65.9085 31.4936 177.7124 63 N 4.3729 8.0617 113.7211 54.0677 37.2251 176.0957 64 G 3.9075 8.4034 107.9413 44.8659 0.0000 173.7807 65 I 3.9011 8.1277 122.1203 61.2038 38.3154 175.0856 66 F 5.0593 9.5440 126.2396 56.2610 41.1433 175.0193 67 V 4.9978 9.3543 122.6117 61.1287 34.9936 173.8362 68 E 5.2215 9.3150 128.6371 54.4430 31.9368 174.5132 69 T 4.7159 8.6832 118.5961 61.3436 69.7516 174.1704 70 K 4.2928 8.9500 127.2961 56.0676 35.2980 174.6396 71 G 3.6710 9.4145 117.3727 47.4092 0.0000 174.2292 72 L 4.4041 8.7761 119.4098 54.2663 43.6525 175.9477 73 W 4.8087 8.9291 135.0000 55.0963 30.3940 174.5670 74 E 4.2207 8.1203 124.6700 55.2467 29.6933 177.8408 75 S 3.9600 8.3471 112.9540 60.0863 62.8163 174.9123 76 D 4.2189 7.6196 118.9905 56.6725 41.5944 177.7899 77 D 4.3601 7.6399 117.7656 56.6943 41.2390 178.4793 78 R 3.1939 6.8259 117.8271 58.9097 29.9946 178.8261 79 K 3.8606 7.2074 117.9026 59.4281 31.9890 179.1923 80 K 3.8490 7.9614 119.7517 59.6478 32.0515 178.2168 81 H 3.8721 7.9451 117.8611 59.3775 29.9510 177.1117 82 L 4.0559 7.9680 120.6693 57.9860 41.4021 179.1195 83 L 3.9047 8.0306 120.1505 58.2846 42.0829 178.9824 84 I 3.7053 8.1910 120.1231 64.2645 36.7728 178.5406 85 R 3.7651 7.7235 118.8853 59.4176 30.0912 177.8059 86 E 4.1056 7.8053 117.0258 59.8780 29.6580 179.4620 87 Q 4.1738 7.9395 116.0487 57.6828 30.3116 176.3604 88 H 5.5412 8.1674 116.1595 52.4831 29.1146 172.2651 89 P 4.3890 0.0000 0.0000 64.7451 32.2340 178.2459 90 E 4.1634 8.1463 116.3123 57.2980 30.1700 176.0101 91 L 4.7817 7.3902 119.4503 53.1686 43.8571 175.3758 92 D 4.8394 8.6325 121.2926 52.9076 42.8291 174.8932 93 I 5.1579 8.3324 126.6304 59.7038 40.1256 175.2390 94 R 4.8451 9.3060 125.4895 54.3042 34.4365 174.4587 95 I 4.7344 8.6453 120.5791 59.6260 40.5203 175.3578 96 V 4.4879 8.2553 127.2031 61.3197 32.2617 175.0379 97 F 5.1654 8.9115 127.4000 57.4852 39.7735 177.0312 98 S 4.4505 8.6809 117.1904 61.1468 63.8223 174.7784 99 S 4.5492 7.9033 110.3512 57.5910 62.8960 175.5278 100 S 4.0191 9.7516 123.8626 59.9090 63.0584 176.9848 101 R 3.8903 7.3615 118.7738 58.8233 30.0396 177.4366 102 T 3.5936 7.2832 115.2536 63.4806 68.5241 173.9118 103 K 4.0674 7.9586 124.2110 55.5265 33.1033 177.8771 104 L 4.1041 8.1565 122.3175 57.8579 42.1434 177.8099 105 Y 4.5558 6.8889 112.7090 55.6902 40.6627 172.8932 106 K 3.8787 8.9662 123.5143 58.5070 32.3855 176.4172 107 G 4.1918 9.0070 113.4037 45.3076 0.0000 172.8036 108 S 4.5873 7.3132 113.2662 55.4200 64.4759 172.2863 109 P 4.4093 0.0000 0.0000 64.5457 32.1310 176.5125 110 T 4.4643 7.4909 116.4480 62.6999 69.6261 173.9621 111 S 4.9486 8.6311 119.6523 56.3683 66.9439 174.8778 112 Y 4.6050 9.1110 121.1370 61.5576 37.4774 179.3386 113 G 3.0925 8.0288 106.3534 48.0449 0.0000 175.2173 114 E 4.2855 8.1192 121.3885 58.9378 29.3379 179.4405 115 F 4.1730 8.5446 120.5575 61.6326 39.3816 176.6720 116 C 4.2052 8.7562 116.4165 63.2823 27.9887 176.3964 117 E 4.3575 8.8786 120.2385 59.3476 28.9210 179.1894 118 K 3.8861 7.9416 118.3414 59.6382 32.3376 177.6283 119 H 4.5586 8.1317 113.4505 54.5832 29.2242 175.1827 120 G 3.9408 7.8536 108.6969 46.8696 0.0000 174.0084 121 I 4.5651 8.7728 120.3142 59.0763 39.2370 176.9248 122 K 4.4233 8.6408 126.9938 56.3154 33.0874 175.9994 123 F 5.7548 8.2834 118.0252 55.8565 41.2804 172.7284 124 A 4.7733 9.3231 121.1825 50.7316 23.2320 174.1431 125 D 5.2576 8.3217 117.2979 54.0985 43.2010 176.8501 126 K 4.0495 9.7136 127.1600 57.5642 31.6003 175.7152 127 L 4.6857 7.1976 114.3407 52.3337 45.2210 176.5206 128 I 3.5058 7.9668 121.6094 60.2733 36.5920 174.9711 129 P 3.9424 0.0000 0.0000 62.8187 32.9734 177.2218 130 A 4.0295 8.3361 122.3722 55.0335 18.2026 179.8415 131 E 3.9314 8.1045 116.0471 59.5770 29.8573 179.0847 132 W 5.4757 8.1541 119.3779 59.6603 28.9817 178.3131 133 I 3.8225 7.3186 116.7492 64.2699 36.5734 177.6623 134 K 4.4294 7.7920 116.5307 55.6971 32.4814 176.9932 135 E 4.2920 7.6640 120.4054 54.8703 30.2119 174.5652 136 P 4.5604 0.0000 0.0000 62.3810 31.8738 176.2060 137 K 4.3735 8.6007 124.3410 56.6790 32.7034 175.7628 138 K 4.7765 8.5915 124.8697 54.7433 35.6967 175.8847 139 E 4.2772 8.8937 121.1338 56.9467 30.5136 176.7083 140 V 4.2656 8.0466 120.0777 60.7960 34.8087 174.6926 141 P 4.6743 0.0000 0.0000 61.3208 29.8940 176.7536 142 F 4.1760 8.1858 121.9660 61.1995 39.7907 178.0129 143 D 4.4133 8.3364 119.6501 57.6186 40.6414 177.7382 144 R 4.2572 7.9654 113.8038 56.8836 29.8104 176.2964 145 L 4.8572 7.7077 117.6678 52.7271 45.2201 175.8484 146 K 4.5527 8.5556 120.9381 54.5761 33.8533 176.0180 147 R 4.4767 8.4417 120.6578 54.0536 30.6594 176.4284 148 K 4.0383 8.8201 121.2242 57.2387 32.2619 176.4612 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 M 8.15 4.49 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 18 G 8.53 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 0.00 0.00 0.00 19 L 8.66 3.96 0.00 1.76 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.14 3.93 0.00 2.34 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 2.48 2.43 0.00 21 D 8.63 4.69 0.00 2.88 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 22 K 8.41 3.88 0.00 1.95 1.81 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.72 7.81 23 V 7.93 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 0.89 0.00 0.00 0.91 0.00 0.00 24 S 8.07 3.93 0.00 4.11 3.78 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 25 K 8.13 3.92 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.72 7.81 26 Q 8.35 3.95 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 27 L 7.65 3.98 0.00 1.85 1.78 -0.14 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.48 4.03 0.00 2.42 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 2.33 2.38 0.00 29 S 8.12 4.13 0.00 4.05 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 30 K 8.07 4.09 0.00 2.00 1.95 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.56 7.81 31 G 7.89 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 32 I 8.03 3.96 2.08 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 1.46 0.89 1.00 0.00 0.00 33 K 8.60 4.04 0.00 1.72 1.77 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 34 F 7.87 5.07 0.00 3.14 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 35 E 9.04 4.64 0.00 2.20 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 0.00 2.33 2.41 0.00 36 Y 8.75 4.82 0.00 3.20 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 37 E 8.29 3.60 0.00 1.60 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.47 0.00 38 E 8.06 4.09 0.00 1.85 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 2.31 1.47 0.00 39 W 7.95 4.75 0.00 3.33 3.19 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 40 K 8.61 4.55 0.00 1.77 1.75 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 41 V 8.27 4.09 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 0.88 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.37 0.00 2.12 2.03 0.00 3.74 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 43 Y 8.16 4.96 0.00 3.02 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 44 S 8.36 4.28 0.00 3.69 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 45 N 8.20 5.10 0.00 2.83 2.63 0.00 0.00 6.82 7.79 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 46 N 8.51 4.92 0.00 2.74 2.79 0.00 0.00 5.97 7.39 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 47 Q 8.84 3.94 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.18 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 48 Q 7.45 4.68 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 49 N 7.97 4.79 0.00 2.83 2.74 0.00 0.00 7.03 7.46 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 50 Y 8.30 4.37 0.00 2.84 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 51 S 8.41 4.54 0.00 4.00 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 52 S 8.57 4.32 0.00 4.04 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 53 H 8.52 5.17 0.00 3.11 3.24 0.00 5.67 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 54 T 8.21 4.72 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 1.24 0.00 0.00 55 Y 8.48 4.56 0.00 2.82 2.83 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 56 T 7.99 4.13 4.09 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 0.00 0.00 0.00 1.12 0.00 0.00 57 P 0.00 4.26 0.00 2.29 2.11 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 58 D 8.58 4.19 0.00 2.93 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 0.00 0.00 0.00 59 F 8.84 4.84 0.00 3.07 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 60 L 8.37 4.67 0.00 1.27 1.47 -0.24 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.61 4.36 0.00 1.86 1.56 1.00 0.87 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 62 P 0.00 4.24 0.00 2.03 2.14 0.00 3.68 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 63 N 8.06 4.37 0.00 2.93 3.15 0.00 0.00 6.44 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 64 G 8.40 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 0.00 0.00 0.00 65 I 8.13 3.90 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.69 0.00 0.00 66 F 9.54 5.06 0.00 3.17 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 67 V 9.35 5.00 2.41 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 1.04 0.00 0.00 1.10 0.00 0.00 68 E 9.32 5.22 0.00 2.28 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 2.52 2.37 0.00 69 T 8.68 4.72 4.37 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 1.45 0.00 0.00 70 K 8.95 4.29 0.00 1.82 1.67 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.52 1.77 7.81 71 G 9.41 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 72 L 8.78 4.40 0.00 1.72 1.69 1.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.93 4.81 0.00 2.72 1.74 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 74 E 8.12 4.22 0.00 1.95 1.81 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 2.43 2.24 0.00 75 S 8.35 3.96 0.00 3.75 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 76 D 7.62 4.22 0.00 2.63 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 77 D 7.64 4.36 0.00 2.68 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 0.00 0.00 0.00 0.00 78 R 6.83 3.19 0.00 1.48 1.21 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.58 0.00 79 K 7.21 3.86 0.00 1.81 1.81 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.52 7.81 80 K 7.96 3.85 0.00 1.78 1.91 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.37 7.81 81 H 7.95 3.87 0.00 3.58 3.61 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.97 4.06 0.00 1.78 1.74 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.03 3.90 0.00 1.93 1.68 0.89 0.86 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 84 I 8.19 3.71 1.61 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.38 0.83 0.00 0.00 85 R 7.72 3.77 0.00 2.04 2.07 0.00 3.37 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 86 E 7.81 4.11 0.00 2.14 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 2.36 2.59 0.00 87 Q 7.94 4.17 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.24 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 88 H 8.17 5.54 0.00 3.30 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.39 0.00 2.16 2.16 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 90 E 8.15 4.16 0.00 2.14 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 2.35 2.27 0.00 91 L 7.39 4.78 0.00 1.52 1.46 0.51 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.63 4.84 0.00 2.71 2.58 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 93 I 8.33 5.16 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 1.10 0.00 0.00 94 R 9.31 4.85 0.00 1.28 1.64 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.19 0.00 95 I 8.65 4.73 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 0.00 0.00 0.00 0.85 0.61 -0.13 0.00 0.00 96 V 8.26 4.49 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 0.96 0.00 0.00 0.92 0.00 0.00 97 F 8.91 5.17 0.00 3.13 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 98 S 8.68 4.45 0.00 3.86 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 99 S 7.90 4.55 0.00 3.80 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 0.00 100 S 9.75 4.02 0.00 3.92 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 0.00 101 R 7.36 3.89 0.00 1.81 1.97 0.00 3.35 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 1.67 1.74 0.00 102 T 7.28 3.59 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 0.41 0.00 0.00 103 K 7.96 4.07 0.00 1.57 1.58 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 104 L 8.16 4.10 0.00 1.18 1.79 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 6.89 4.56 0.00 3.14 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 0.00 106 K 8.97 3.88 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.46 7.81 107 G 9.01 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 0.00 0.00 0.00 0.00 108 S 7.31 4.59 0.00 2.72 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 0.00 109 P 0.00 4.41 0.00 2.19 2.13 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 110 T 7.49 4.46 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 1.32 0.00 0.00 111 S 8.63 4.95 0.00 4.06 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 0.00 112 Y 9.11 4.60 0.00 2.40 1.75 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 0.00 113 G 8.03 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.12 4.29 0.00 2.27 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 2.39 2.38 0.00 115 F 8.54 4.17 0.00 3.33 3.62 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 0.00 116 C 8.76 4.21 0.00 3.05 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.36 0.00 2.26 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 2.73 3.00 0.00 118 K 7.94 3.89 0.00 1.79 1.80 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.40 7.81 119 H 8.13 4.56 0.00 2.91 3.22 0.00 5.85 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 0.00 120 G 7.85 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 0.00 121 I 8.77 4.57 2.08 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.95 0.00 0.00 122 K 8.64 4.42 0.00 1.43 1.48 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 123 F 8.28 5.75 0.00 2.96 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 0.00 124 A 9.32 4.77 0.62 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 0.00 0.00 125 D 8.32 5.26 0.00 2.56 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 0.00 126 K 9.71 4.05 0.00 1.83 1.90 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 127 L 7.20 4.69 0.00 1.45 1.39 0.88 0.77 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 0.00 128 I 7.97 3.51 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.25 0.93 0.00 0.00 129 P 0.00 3.94 0.00 0.95 1.48 0.00 2.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.55 0.00 130 A 8.34 4.03 1.26 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 0.00 0.00 0.00 131 E 8.10 3.93 0.00 2.09 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 2.22 2.34 0.00 132 W 8.15 5.48 0.00 3.51 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 0.00 133 I 7.32 3.82 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.92 0.00 0.00 134 K 7.79 4.43 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.63 7.81 135 E 7.66 4.29 0.00 2.16 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 2.35 2.58 0.00 136 P 0.00 4.56 0.00 2.17 2.07 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 137 K 8.60 4.37 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.46 7.81 138 K 8.59 4.78 0.00 1.75 1.70 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.38 7.81 139 E 8.89 4.28 0.00 1.89 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 2.34 2.30 0.00 140 V 8.05 4.27 1.84 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 -0.05 0.00 0.00 0.85 0.00 0.00 141 P 0.00 4.67 0.00 2.26 2.20 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 142 F 8.19 4.18 0.00 3.21 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 0.00 143 D 8.34 4.41 0.00 2.71 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 0.00 144 R 7.97 4.26 0.00 1.93 2.02 0.00 3.29 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 145 L 7.71 4.86 0.00 1.79 1.54 0.78 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.56 4.55 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 147 R 8.44 4.48 0.00 1.95 2.01 0.00 3.07 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 148 K 8.82 4.04 0.00 1.86 1.86 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.52 7.81