NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.4865 8.1514 120.3366 55.0003 33.7834 176.2943 18 G 3.3786 8.5324 106.9315 47.2047 0.0000 174.2981 19 L 3.9633 8.6630 124.4988 57.6378 42.5981 177.0732 20 E 3.9344 8.1368 117.9785 59.6190 29.4102 178.7843 21 D 4.6704 8.6314 119.7149 56.3827 41.1601 178.3896 22 K 3.8877 8.4138 119.6362 59.5164 32.1047 179.3189 23 V 3.5149 7.9398 118.8801 66.0930 31.5072 178.2011 24 S 3.9236 8.0751 113.7542 60.8967 62.7767 176.6393 25 K 3.9238 8.1205 122.6238 59.2989 31.8065 178.5981 26 Q 3.9487 8.3197 120.1128 59.5755 28.8592 179.0467 27 L 3.9860 7.6354 119.1061 57.6930 41.6463 179.1499 28 E 4.0266 8.4860 119.3990 59.2752 29.4354 178.7645 29 S 4.1215 8.1309 113.0984 61.7122 63.1225 176.4933 30 K 4.0779 8.0654 121.4444 56.7216 31.7482 177.7792 31 G 3.7858 7.8756 106.8078 46.0589 0.0000 173.7941 32 I 3.9658 8.0570 121.6223 59.7649 36.4320 176.0719 33 K 4.0442 8.6016 128.1684 56.1778 32.0587 175.8986 34 F 5.0765 7.8653 120.1172 55.2826 41.0957 173.3510 35 E 4.6446 9.0453 120.7818 54.8772 30.8155 174.9521 36 Y 4.8303 8.7528 125.2675 57.5543 40.2879 175.3913 37 E 3.6006 8.2955 128.4773 57.3768 27.1968 174.9990 38 E 4.0875 8.0790 119.9551 56.8078 31.1146 175.5880 39 W 4.7486 7.9539 116.3270 54.5787 31.6036 174.9890 40 K 4.5514 8.6047 120.3331 54.6058 33.9188 176.2257 41 V 4.0953 8.2680 123.1862 60.5527 31.3022 173.7381 42 P 4.3615 0.0000 0.0000 62.9083 31.2311 175.3748 43 Y 4.9625 8.1615 120.5874 55.4925 41.3318 173.9097 44 S 4.2795 8.3615 112.1163 57.0177 65.4010 172.1792 45 N 5.1018 8.2020 122.2913 52.3906 41.7950 173.4651 46 N 4.9210 8.5161 118.4386 52.5422 37.3939 175.3132 47 Q 3.9363 8.8296 120.4410 59.4928 29.3839 178.0545 48 Q 4.6786 7.4592 119.4442 53.7143 27.8246 174.6016 49 N 4.7911 7.9740 118.8571 53.4113 41.1138 171.6952 50 Y 4.3543 8.2936 117.8858 55.6704 39.8644 175.5688 51 S 4.5322 8.4015 120.6080 56.9185 64.3515 174.2040 52 S 4.3170 8.5713 119.8637 58.4289 63.5427 172.8732 53 H 5.1714 8.5182 120.2309 54.3530 32.6844 172.2095 54 T 4.7185 8.2111 108.4745 60.3869 71.4193 172.7112 55 Y 4.5545 8.4816 123.5411 56.3093 40.7919 175.1006 56 T 4.1317 7.9844 125.0271 61.0396 68.2526 173.0310 57 P 4.2632 0.0000 0.0000 62.3016 32.2232 177.1274 58 D 4.1969 8.5941 120.1008 56.8777 41.0778 177.2809 59 F 4.8415 8.8540 117.0660 55.3014 42.3406 174.0808 60 L 4.6928 8.3686 124.4449 53.0294 43.7163 176.1761 61 L 4.3591 8.6397 127.1377 53.4538 42.6232 176.4655 62 P 4.2344 0.0000 0.0000 65.9110 31.4869 177.7388 63 N 4.3642 8.0649 113.7566 54.1114 37.2048 176.0867 64 G 3.9032 8.4156 107.9413 44.8575 0.0000 173.7523 65 I 3.9102 8.0827 122.0716 61.1842 38.3311 175.0789 66 F 5.0617 9.5487 126.1981 56.2554 41.1570 175.0180 67 V 5.0007 9.3226 122.5980 61.1275 34.9927 173.8266 68 E 5.2239 9.3130 128.6479 54.4451 31.9433 174.5322 69 T 4.7157 8.6872 118.5670 61.3564 69.7876 174.1754 70 K 4.2916 8.9447 127.2125 56.0960 35.3092 174.6456 71 G 3.6663 9.4172 117.4167 47.4065 0.0000 174.2383 72 L 4.4016 8.7885 119.3592 54.2664 43.6504 175.9200 73 W 4.8114 8.9946 135.0000 55.1116 30.4100 174.5694 74 E 4.2244 8.1300 124.6935 55.2426 29.7224 177.8512 75 S 3.9568 8.3484 112.9765 60.0846 62.8085 174.9118 76 D 4.2274 7.6193 118.9788 56.6619 41.5769 177.7784 77 D 4.3644 7.6395 117.7567 56.6686 41.2515 178.4743 78 R 3.1924 6.8280 117.8383 58.9184 29.9947 178.8124 79 K 3.8573 7.2057 117.8975 59.4351 31.9858 179.1837 80 K 3.8479 7.9612 119.7405 59.6603 32.0502 178.2044 81 H 3.8770 7.9438 117.8542 59.3816 29.9438 177.1131 82 L 4.0574 7.9699 120.6487 57.9882 41.4050 179.1186 83 L 3.9046 8.0128 120.1687 58.2832 42.0898 178.9855 84 I 3.7078 8.1866 120.1152 64.2658 36.7738 178.5295 85 R 3.7731 7.7221 118.8994 59.4031 30.0892 177.7957 86 E 4.1068 7.8151 117.0803 59.8892 29.6673 179.4832 87 Q 4.1712 7.9485 116.0052 57.6973 30.3145 176.3663 88 H 5.5323 8.1892 116.1372 52.4912 29.1087 172.2822 89 P 4.3899 0.0000 0.0000 64.7417 32.2303 178.2180 90 E 4.1685 8.1458 116.2969 57.2600 30.1749 175.9993 91 L 4.7831 7.3936 119.4282 53.1666 43.8884 175.3547 92 D 4.8449 8.6332 121.2101 52.8950 42.8747 174.9010 93 I 5.1558 8.3381 126.6332 59.7143 40.1346 175.2241 94 R 4.8462 9.3072 125.4976 54.3044 34.4417 174.4581 95 I 4.7339 8.6759 120.5972 59.6298 40.5190 175.3757 96 V 4.4849 8.2524 127.1970 61.3132 32.2409 175.0386 97 F 5.1535 8.9047 127.3727 57.4852 39.7630 177.0256 98 S 4.4152 8.6818 117.2747 61.1941 63.8146 174.7892 99 S 4.5381 7.9072 110.6864 57.5960 62.8681 175.4320 100 S 4.0227 9.7614 123.8804 59.9134 63.0631 176.9666 101 R 3.8940 7.3640 118.7501 58.7977 30.0311 177.4257 102 T 3.5957 7.2923 115.3494 63.4568 68.5125 173.9306 103 K 4.0580 7.9628 124.2571 55.5487 33.0870 177.8808 104 L 4.1048 8.1559 122.3314 57.8573 42.1296 177.8130 105 Y 4.5552 6.8947 112.6580 55.6856 40.6665 172.8963 106 K 3.8671 8.9687 123.5124 58.5197 32.3863 176.4113 107 G 4.1906 9.0161 113.3941 45.3009 0.0000 172.8022 108 S 4.5907 7.3042 113.2276 55.4169 64.4869 172.2895 109 P 4.4085 0.0000 0.0000 64.5694 32.1285 176.5289 110 T 4.4600 7.4858 116.4936 62.7153 69.6086 173.9590 111 S 4.9521 8.6401 119.6720 56.3634 66.9426 174.8911 112 Y 4.6094 9.1256 121.1966 61.5702 37.4646 179.3327 113 G 3.0919 8.0332 106.3589 48.0416 0.0000 175.2030 114 E 4.2534 8.1278 121.3769 58.9554 29.3516 179.4379 115 F 4.1706 8.5576 120.5339 61.6329 39.3669 176.6747 116 C 4.2010 8.7670 116.4077 63.2871 27.9910 176.4056 117 E 4.3573 8.8610 120.2414 59.3306 28.9202 179.1856 118 K 3.8861 7.9324 118.3594 59.6490 32.3483 177.6511 119 H 4.5446 8.1298 113.4209 54.6075 29.2477 175.1777 120 G 3.9361 7.8505 108.6967 46.8767 0.0000 174.0119 121 I 4.5703 8.7813 120.2071 59.0726 39.2732 176.9658 122 K 4.4250 8.6402 126.9550 56.3187 33.0868 175.9924 123 F 5.7616 8.2964 118.0301 55.9800 41.2640 172.7420 124 A 4.7748 9.3227 121.2390 50.7210 23.2242 174.1315 125 D 5.2564 8.3199 117.2538 54.1039 43.2127 176.8846 126 K 4.0399 9.7201 127.0471 57.5845 31.6188 175.7030 127 L 4.6871 7.1939 114.2852 52.3264 45.2311 176.5005 128 I 3.4989 7.9594 121.5938 60.2802 36.6700 175.0014 129 P 3.9560 0.0000 0.0000 62.8310 32.9762 177.2263 130 A 4.0392 8.3312 122.2938 55.0359 18.2052 179.8479 131 E 3.9308 8.1105 116.0545 59.5758 29.8611 179.1009 132 W 5.4604 8.1451 119.3767 59.6568 28.9839 178.3009 133 I 3.8244 7.3092 116.7124 64.2904 36.5750 177.6667 134 K 4.4319 7.8831 116.5344 55.7150 32.4575 176.9988 135 E 4.2987 7.6735 120.3691 54.8530 30.2252 174.5592 136 P 4.5659 0.0000 0.0000 62.3789 31.8774 176.2066 137 K 4.3718 8.6033 124.3194 56.6727 32.6971 175.7617 138 K 4.7796 8.5903 124.9253 54.7308 35.6812 175.9078 139 E 4.2764 8.8970 121.0761 56.9110 30.4991 176.6817 140 V 4.2671 8.0623 120.1613 60.7373 34.8196 174.7922 141 P 4.6727 0.0000 0.0000 61.2938 29.9146 176.7564 142 F 4.1811 8.1814 121.8401 61.1979 39.7954 178.0344 143 D 4.4078 8.3365 119.6478 57.6227 40.6418 177.7503 144 R 4.2557 7.9684 113.7496 56.8891 29.8003 176.2998 145 L 4.8593 7.7001 117.6590 52.7296 45.2302 175.8471 146 K 4.5547 8.5556 120.9042 54.5761 33.8568 176.0169 147 R 4.4798 8.4404 120.6548 54.0499 30.6791 176.4277 148 K 4.0431 8.8134 121.1991 57.2322 32.2708 176.4667 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 -0.17 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 2.33 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 4.67 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 3.89 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 1.71 7.81 23 V 7.94 3.51 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 0.89 0.00 0.00 0.93 0.00 0.00 24 S 8.08 3.92 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 8.12 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 1.73 7.81 26 Q 8.32 3.95 0.00 2.06 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 7.64 3.99 0.00 1.84 1.79 -0.15 1.05 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 8.49 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 8.13 4.12 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 4.08 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 7.88 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 8.06 3.97 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 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 34 F 7.87 5.08 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 9.05 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 4.83 0.00 3.21 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 8.30 3.60 0.00 1.60 1.69 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 1.71 1.47 0.00 38 E 8.08 4.09 0.00 1.85 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 2.32 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 8.60 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 4.10 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 4.36 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 3.67 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 45 N 8.20 5.10 0.00 2.84 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 8.52 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 8.83 3.94 0.00 2.17 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 7.46 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 6.86 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 8.29 4.35 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 8.40 4.53 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 3.23 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 4.55 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 7.98 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 8.59 4.20 0.00 2.94 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 8.85 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 4.69 0.00 1.26 1.47 -0.12 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 8.64 4.36 0.00 1.86 1.56 1.00 0.93 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 4.23 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 4.36 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 8.42 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 65 I 8.08 3.91 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 0.55 0.70 0.00 0.00 66 F 9.55 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 9.32 5.00 2.40 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 1.03 0.00 0.00 1.09 0.00 0.00 68 E 9.31 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 8.69 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 8.94 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 3.42 0.00 0.00 0.00 0.00 1.51 1.77 7.81 71 G 9.42 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 8.79 4.40 0.00 1.72 1.69 1.16 0.96 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 73 W 8.99 4.81 0.00 2.70 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 8.13 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 4.23 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 2.40 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 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 0.57 0.00 79 K 7.21 3.86 0.00 1.84 1.81 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.83 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 1.79 1.91 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.38 7.81 81 H 7.94 3.88 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 1.75 1.00 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 8.01 3.90 0.00 1.93 1.68 0.90 0.89 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 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.83 0.00 0.00 85 R 7.72 3.77 0.00 2.04 2.07 0.00 3.36 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 7.82 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 7.95 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 8.19 5.53 0.00 3.30 3.10 0.00 5.63 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 4.17 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 1.53 1.46 0.51 1.28 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 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 5.16 1.90 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 1.36 0.76 1.11 0.00 0.00 94 R 9.31 4.85 0.00 1.29 1.65 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 8.68 4.73 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 0.00 0.00 0.00 0.84 0.61 -0.20 0.00 0.00 96 V 8.25 4.48 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 0.93 0.00 0.00 0.92 0.00 0.00 97 F 8.90 5.15 0.00 3.12 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 4.42 0.00 3.85 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 7.91 4.54 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 9.76 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 7.39 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 7.29 3.60 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 0.39 0.00 0.00 103 K 7.96 4.06 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 0.79 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 3.87 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 9.02 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 7.30 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 8.64 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 9.13 4.61 0.00 2.41 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 8.13 4.25 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 2.40 2.38 0.00 115 F 8.56 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 8.77 4.20 0.00 3.06 3.60 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 0.00 117 E 8.86 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 2.74 3.00 0.00 118 K 7.93 3.89 0.00 1.80 1.80 0.00 1.75 0.00 0.00 1.56 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 4.54 0.00 2.90 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 8.78 4.57 2.08 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.96 0.00 0.00 122 K 8.64 4.43 0.00 1.43 1.48 0.00 1.36 0.00 0.00 1.52 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 8.30 5.76 0.00 2.95 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 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.72 4.04 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 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 127 L 7.19 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 7.96 3.50 1.68 0.00 0.00 0.49 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 0.24 0.91 0.00 0.00 129 P 0.00 3.96 0.00 0.98 1.49 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.55 0.00 130 A 8.33 4.04 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 8.11 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 5.46 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 7.31 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 7.88 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 7.67 4.30 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 4.57 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 1.46 1.38 7.81 139 E 8.90 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 8.06 4.27 1.83 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 0.01 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 8.18 4.18 0.00 3.21 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 0.00 143 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 7.70 4.86 0.00 1.79 1.54 0.78 0.68 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 1.78 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 8.81 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