NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0881 8.2516 117.5926 54.4488 33.2178 174.5067 2 K 4.3448 8.0352 121.1477 54.6032 33.7668 173.2684 3 T 4.6419 9.1752 124.5789 61.1098 71.7517 172.3557 4 P 4.4342 0.0000 0.0000 65.2633 32.6425 176.8981 5 L 4.4457 7.8306 118.6669 55.4405 42.1698 177.3012 6 V 4.6965 9.3727 122.9205 61.6560 35.5858 174.3904 7 T 4.5719 8.9390 123.6950 63.6653 69.4808 175.5671 8 R 4.0626 8.7753 122.3322 59.4781 29.6274 179.0953 9 E 4.1307 8.3977 118.0310 59.6877 29.6740 179.5522 10 G 3.9241 8.3364 104.9225 47.8531 0.0000 174.8744 11 Y 3.7953 7.9512 121.2347 60.8328 38.8308 177.4500 12 E 4.1547 8.2563 119.1020 59.7955 29.5595 179.7530 13 K 4.0040 7.8940 116.8220 59.5840 32.3316 179.0758 14 L 3.9696 7.7652 118.6033 58.0652 41.5343 180.0606 15 K 3.9959 8.1161 117.9710 59.5372 32.0972 178.9758 16 Q 4.0408 8.3071 120.0801 59.3227 28.7993 178.0947 17 E 3.9327 8.8986 120.3825 59.4271 29.7880 178.3463 18 L 3.7414 7.9193 119.7850 58.4201 41.9550 179.0103 19 N 4.5096 8.2784 116.3493 56.6864 38.5877 176.8326 20 Y 4.0273 8.6994 121.1426 60.4490 38.7134 178.2646 21 L 4.1355 9.0618 121.0051 57.5686 41.7029 178.9248 22 W 4.4589 8.2869 126.4207 59.1824 30.8690 177.3920 23 R 4.0264 7.9747 116.0546 56.0856 30.6119 177.0496 24 E 4.2302 7.7584 116.7458 57.2184 31.2965 177.2176 25 E 4.3436 8.1059 118.4769 57.9217 30.1611 178.0657 26 R 3.9509 8.1627 118.5823 58.8342 30.1838 177.0739 27 P 4.2394 0.0000 0.0000 65.5280 31.2531 178.2782 28 E 3.9264 7.4993 117.6625 59.4641 29.5734 179.5654 29 V 3.6042 8.0609 118.1898 66.5691 31.5506 178.1729 30 T 3.9513 8.0406 115.3144 66.6518 67.7245 176.7102 31 K 4.0772 8.0047 119.9611 59.2605 31.9430 179.6352 32 K 4.0999 7.9385 118.9161 59.6550 32.0144 179.4312 33 V 3.7652 7.7639 118.0538 66.7300 31.3180 177.9030 34 T 3.9083 7.8786 115.4389 66.3421 68.3535 176.1709 35 W 3.9319 8.2556 129.1015 60.4121 30.6757 177.7147 36 A 4.0976 8.6027 120.8791 55.4052 17.5620 179.5769 37 A 3.6119 7.4165 117.7169 55.2957 18.5535 179.3644 38 S 4.0785 7.5983 109.9542 61.6540 62.4010 176.1806 39 L 4.3535 8.6935 121.3212 57.3455 41.8580 177.5787 40 G 3.9478 7.3690 104.1950 45.7284 0.0000 171.3147 41 D 4.4574 8.0702 119.2141 53.6762 39.8972 177.4407 42 R 4.2671 8.7153 121.9808 59.9864 30.4974 178.5548 43 S 4.3434 8.2156 112.1850 61.6044 63.0844 175.8115 44 E 3.9997 8.2085 116.3509 58.8048 29.3139 176.4470 45 N 4.5522 7.9434 118.1577 52.8876 39.1437 175.2790 46 A 3.9936 8.6276 128.1821 54.5724 18.8107 178.3125 47 D 4.4757 8.3374 116.3131 57.1670 41.3002 177.6530 48 Y 4.3254 8.5425 120.4591 60.6751 38.7909 177.8875 49 Q 3.5690 7.6861 118.6909 58.7944 28.9411 177.7168 50 Y 4.2597 8.3089 120.8921 61.0742 38.8392 178.0967 51 N 4.1190 8.2130 117.0427 55.6405 38.5735 177.4391 52 K 3.9168 7.5924 121.6550 59.0407 32.1305 178.7983 53 K 3.8488 7.8864 119.9300 59.6482 32.2193 178.7952 54 R 3.3351 7.7319 118.7947 59.2436 29.7837 178.0387 55 L 4.0728 7.6096 119.7450 57.7195 41.9424 179.0257 56 R 3.9516 7.9945 118.3075 59.1936 30.0024 178.8317 57 E 3.9748 9.0615 119.4499 59.1518 29.4367 179.2165 58 I 3.6468 7.9501 119.0786 64.3926 38.3384 177.8261 59 D 4.5168 8.2589 119.1399 56.7144 40.5042 179.1071 60 R 3.8993 7.6385 119.3621 59.3860 30.2170 178.9178 61 R 3.9943 8.0345 118.6453 59.2183 30.1281 178.7628 62 V 3.7070 7.8256 119.3044 64.7387 31.0579 178.4555 63 R 3.7977 7.8083 118.7472 59.2469 29.9718 177.6658 64 Y 3.8840 7.9703 119.2454 60.6159 38.8242 177.5829 65 L 3.9229 8.5422 121.4072 58.7328 41.6715 178.8020 66 T 3.8297 7.6761 115.2530 66.7941 68.4915 176.5538 67 K 3.7592 7.6943 120.2406 60.1151 32.6699 179.0582 68 C 4.0241 7.9987 117.7249 62.2566 27.6496 175.9359 69 M 3.8503 7.7304 120.1237 58.3783 31.5883 178.1699 70 E 4.1782 7.5583 117.3244 58.7408 29.8428 178.1583 71 N 4.6604 7.8002 114.2006 53.1186 39.4424 175.5715 72 L 4.3909 7.3989 120.3120 54.5516 42.8185 176.4209 73 K 4.6317 9.0315 122.3657 54.8034 35.0948 175.1835 74 I 5.2961 8.3929 127.4184 59.9062 38.6167 176.1363 75 V 4.1669 8.0958 124.9581 61.2719 30.6038 174.9038 76 D 4.7501 8.2236 122.4851 52.8635 39.7331 173.2358 77 Y 5.1192 8.1070 122.5359 55.1828 41.5680 175.0805 78 S 4.5479 7.2638 120.9329 55.5872 65.5038 172.5941 79 P 3.6866 0.0000 0.0000 65.5857 30.3659 177.0969 80 Q 3.5763 6.4914 115.8785 60.2706 29.3326 177.8604 81 Q 4.3526 10.7000 127.0506 54.9614 27.6515 174.7192 82 E 4.3263 8.4911 123.5095 53.8770 32.9428 174.4872 83 G 4.3231 8.9160 112.1863 45.5666 0.0000 173.8569 84 K 4.1201 7.1330 120.2572 54.5509 33.1513 176.8399 85 V 3.6464 8.7271 125.2936 66.2853 31.3265 179.4164 86 F 3.2769 6.2236 106.9552 56.0354 40.7126 175.2164 87 F 4.8814 8.5153 121.1640 55.9611 42.9191 174.3554 88 G 3.6555 6.7361 110.0229 46.1805 0.0000 172.8994 89 A 3.6892 7.1421 120.6468 49.0027 21.3294 177.0453 90 W 4.3129 8.7147 123.9666 56.8857 30.0464 175.8710 91 V 4.9816 8.8578 125.7715 60.7804 34.2946 173.9416 92 E 4.7267 8.3834 123.6500 54.4099 32.2377 174.8240 93 I 5.3627 8.0207 113.8241 59.4554 41.6888 173.7590 94 E 5.0407 9.3597 121.9467 54.7297 33.2784 174.5569 95 N 4.6013 8.2000 118.6730 51.6953 42.1597 175.1818 96 D 4.1323 8.5027 123.9809 57.7407 40.9834 177.6890 97 D 4.4234 8.3543 116.0118 54.9544 41.0566 176.6709 98 G 4.0647 7.7638 108.5691 45.9539 0.0000 174.4503 99 V 4.2042 7.8064 118.9123 61.2074 32.7208 173.6705 100 T 5.2624 8.4510 121.7454 59.6351 68.1307 172.5235 101 H 4.9962 8.7241 127.8855 54.8909 33.5429 172.9971 102 R 4.7044 8.9596 122.4769 54.1560 31.5052 175.4283 103 F 4.5654 7.2145 116.0621 56.6130 39.5975 172.4773 104 R 4.8085 7.6992 121.2543 53.5831 32.4708 174.8609 105 I 4.1481 7.7137 126.3983 60.6596 38.5658 175.2559 106 V 4.2951 8.4613 119.5209 59.1658 36.5797 175.1701 107 G 4.0936 8.8003 110.8046 45.6345 0.0000 173.4520 108 Y 4.2947 8.7183 121.8999 60.5857 38.9471 176.9274 109 D 4.0009 7.8048 117.8691 56.9753 40.9688 177.5615 110 E 3.9680 7.6377 124.3293 54.0058 30.7714 174.4532 111 I 4.4316 7.1119 121.8101 58.9127 41.2706 174.2640 112 F 4.9809 8.6238 124.2124 55.9800 43.0741 175.3749 113 G 4.0197 8.8526 106.7710 46.9697 0.0000 175.0557 114 R 4.2187 8.0090 117.0279 58.2434 30.2713 178.2169 115 K 4.3502 8.1280 118.8946 57.3808 32.8594 177.1624 116 D 4.3364 7.7751 116.0392 53.3023 44.7229 175.4466 117 Y 4.8614 7.4653 123.4877 56.7510 38.7869 175.6225 118 I 4.6048 7.2732 120.2514 60.5921 41.0920 175.5500 119 S 5.5475 8.4896 121.3703 56.9319 64.1194 174.2589 120 I 3.8256 8.4462 122.2003 63.7043 39.3685 176.6738 121 D 4.9351 8.1106 121.7184 54.6625 40.8786 175.5214 122 S 4.9509 8.0901 113.5638 55.6108 65.4006 172.4817 123 P 4.1072 0.0000 0.0000 66.5960 30.9754 178.2588 124 M 3.7806 7.8715 115.5388 58.8837 31.8393 178.2098 125 A 3.8914 7.3694 119.6580 54.8062 18.8001 179.7584 126 R 3.9822 8.1418 116.9989 59.3200 30.0432 178.8210 127 A 3.9801 7.8596 119.2133 55.2950 18.6445 179.2511 128 L 4.1266 8.0602 116.2352 57.4841 42.4737 177.8862 129 L 3.7716 7.5187 116.8224 57.5386 42.6029 175.9028 130 K 4.7535 7.6855 125.8221 54.0546 32.8933 174.9150 131 K 4.5531 7.9181 120.1736 53.8482 36.4133 176.1468 132 E 4.0836 8.6757 123.4902 56.0183 29.9722 177.7673 133 V 3.8000 8.2586 114.0013 63.9055 31.9976 177.4237 134 G 4.3706 7.6541 106.7309 44.2783 0.0000 172.2414 135 D 4.7321 8.0277 119.3886 52.8877 44.5068 175.8240 136 L 4.5725 8.1176 121.5292 53.1182 41.9200 175.8935 137 A 4.6165 9.0836 126.8256 50.9583 20.6340 176.3117 138 V 5.0968 8.3513 113.1881 59.8904 35.1248 175.7556 139 V 4.7210 9.0212 116.2415 59.9136 36.0596 173.8946 140 N 5.6702 8.5398 121.2638 51.8370 40.6876 173.0818 141 T 4.3503 9.5523 113.5279 61.3009 70.8574 172.4261 142 P 3.4277 0.0000 0.0000 64.2247 31.9745 176.2715 143 A 4.2495 8.2781 128.4913 52.7991 20.2699 178.2477 144 G 3.8679 7.8751 106.4563 44.6064 0.0000 172.4124 145 E 5.0634 8.5942 124.0902 54.0212 31.6926 175.3935 146 A 4.9680 8.9865 124.5868 50.6198 23.3859 174.7979 147 S 5.3091 8.6306 115.3132 56.4710 65.4985 173.4523 148 W 5.3255 9.9526 122.8949 55.2181 34.1275 173.4096 149 Y 5.1715 8.6584 119.9852 56.0629 40.0583 175.4227 150 V 3.6361 8.6554 125.4268 63.6330 32.0811 174.2726 151 N 4.8935 9.5557 128.4299 53.9758 38.5954 173.9491 152 A 4.8157 7.7013 117.8661 50.1560 23.6921 174.4091 153 I 4.7665 8.4815 121.4556 59.7555 39.2718 175.0359 154 E 4.7312 9.1663 127.2006 54.7952 32.4867 174.7982 155 Y 4.7799 9.0120 123.3372 56.3015 39.5043 176.4628 156 V 4.0783 8.3310 123.3032 61.9767 31.4857 174.6906 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 8.25 5.09 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 8.04 4.34 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.63 7.81 3 T 9.18 4.64 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 4 P 0.00 4.43 0.00 2.04 2.23 0.00 3.59 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 5 L 7.83 4.45 0.00 1.29 1.02 0.62 0.56 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 6 V 9.37 4.70 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 1.09 0.00 0.00 1.00 0.00 0.00 7 T 8.94 4.57 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 8 R 8.78 4.06 0.00 1.91 2.05 0.00 3.30 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 9 E 8.40 4.13 0.00 2.15 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 2.49 2.53 0.00 10 G 8.34 3.92 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 0.00 0.00 0.00 11 Y 7.95 3.80 0.00 3.30 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 12 E 8.26 4.15 0.00 2.23 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 0.00 2.47 2.92 0.00 13 K 7.89 4.00 0.00 2.16 1.98 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.76 7.81 14 L 7.77 3.97 0.00 1.58 1.56 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.12 4.00 0.00 2.12 1.98 0.00 2.05 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.64 1.94 7.81 16 Q 8.31 4.04 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 17 E 8.90 3.93 0.00 2.09 1.99 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 2.38 2.35 0.00 18 L 7.92 3.74 0.00 1.87 1.90 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.28 4.51 0.00 3.09 2.95 0.00 0.00 6.54 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.70 4.03 0.00 3.06 3.08 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 0.00 0.00 0.00 21 L 9.06 4.14 0.00 2.12 1.86 1.07 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.29 4.46 0.00 3.29 3.57 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 23 R 7.97 4.03 0.00 1.72 1.62 0.00 3.06 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.01 0.00 24 E 7.76 4.23 0.00 1.46 1.12 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 0.00 2.02 2.05 0.00 25 E 8.11 4.34 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 26 R 8.16 3.95 0.00 1.89 2.04 0.00 3.41 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 27 P 0.00 4.24 0.00 2.08 2.04 0.00 3.60 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 2.18 2.09 0.00 28 E 7.50 3.93 0.00 2.34 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 2.30 2.48 0.00 29 V 8.06 3.60 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 1.05 0.00 0.00 1.02 0.00 0.00 30 T 8.04 3.95 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 1.25 0.00 0.00 31 K 8.00 4.08 0.00 2.24 1.95 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 32 K 7.94 4.10 0.00 1.93 1.92 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.47 7.81 33 V 7.76 3.77 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.03 0.00 0.00 34 T 7.88 3.91 4.58 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 1.14 0.00 0.00 35 W 8.26 3.93 0.00 3.65 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 36 A 8.60 4.10 1.59 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 0.00 0.00 37 A 7.42 3.61 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.60 4.08 0.00 3.70 3.86 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 39 L 8.69 4.35 0.00 1.97 1.82 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.37 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 0.00 0.00 0.00 41 D 8.07 4.46 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.72 4.27 0.00 1.93 2.27 0.00 3.25 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 43 S 8.22 4.34 0.00 3.90 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 44 E 8.21 4.00 0.00 2.10 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 2.39 2.31 0.00 45 N 7.94 4.55 0.00 3.09 2.94 0.00 0.00 6.96 8.03 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 46 A 8.63 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.34 4.48 0.00 2.81 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 48 Y 8.54 4.33 0.00 3.13 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 49 Q 7.69 3.57 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.61 0.00 50 Y 8.31 4.26 0.00 3.03 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 51 N 8.21 4.12 0.00 3.05 2.83 0.00 0.00 6.71 7.03 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 52 K 7.59 3.92 0.00 1.64 1.73 0.00 1.28 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.40 7.81 53 K 7.89 3.85 0.00 1.88 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.30 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.44 7.81 54 R 7.73 3.34 0.00 1.48 1.70 0.00 3.34 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 55 L 7.61 4.07 0.00 1.77 1.84 0.96 1.33 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 56 R 7.99 3.95 0.00 2.06 1.95 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 57 E 9.06 3.97 0.00 2.08 1.99 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 2.32 2.51 0.00 58 I 7.95 3.65 2.01 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 1.58 1.41 1.02 0.00 0.00 59 D 8.26 4.52 0.00 2.85 2.72 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 60 R 7.64 3.90 0.00 2.02 1.97 0.00 3.24 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 61 R 8.03 3.99 0.00 1.89 2.09 0.00 3.06 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 62 V 7.83 3.71 2.26 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 0.73 0.00 0.00 0.95 0.00 0.00 63 R 7.81 3.80 0.00 2.07 2.19 0.00 3.14 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 64 Y 7.97 3.88 0.00 3.04 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 65 L 8.54 3.92 0.00 2.03 1.67 1.00 1.01 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 66 T 7.68 3.83 4.46 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 0.00 0.00 0.00 1.13 0.00 0.00 67 K 7.69 3.76 0.00 1.79 1.94 0.00 1.15 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.24 1.09 7.81 68 C 8.00 4.02 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 69 M 7.73 3.85 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 70 E 7.56 4.18 0.00 1.75 1.99 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 2.34 2.54 0.00 71 N 7.80 4.66 0.00 2.63 2.80 0.00 0.00 7.07 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.40 4.39 0.00 1.66 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.03 4.63 0.00 1.68 1.54 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.47 7.81 74 I 8.39 5.30 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.15 1.04 0.00 0.00 75 V 8.10 4.17 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 0.81 0.00 0.00 0.39 0.00 0.00 76 D 8.22 4.75 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.11 5.12 0.00 2.93 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 78 S 7.26 4.55 0.00 3.90 3.89 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 0.00 0.00 0.00 79 P 0.00 3.69 0.00 2.00 2.15 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.32 0.00 80 Q 6.49 3.58 0.00 1.92 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.21 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 81 Q 10.70 4.35 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.40 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 82 E 8.49 4.33 0.00 1.94 1.76 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 2.09 2.07 0.00 83 G 8.92 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.13 4.12 0.00 1.57 1.10 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.22 1.31 7.81 85 V 8.73 3.65 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.01 0.00 0.00 86 F 6.22 3.28 0.00 3.36 3.25 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 87 F 8.52 4.88 0.00 3.12 3.16 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 0.00 0.00 0.00 88 G 6.74 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.14 3.69 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 0.00 0.00 0.00 0.00 0.00 90 W 8.71 4.31 0.00 3.35 3.12 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 0.00 0.00 0.00 0.00 91 V 8.86 4.98 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 0.90 0.00 0.00 1.00 0.00 0.00 92 E 8.38 4.73 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 93 I 8.02 5.36 2.38 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 1.05 0.00 0.00 94 E 9.36 5.04 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 95 N 8.20 4.60 0.00 2.42 2.76 0.00 0.00 7.45 8.37 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 96 D 8.50 4.13 0.00 2.51 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 97 D 8.35 4.42 0.00 2.56 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 98 G 7.76 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 99 V 7.81 4.20 2.26 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 1.21 0.00 0.00 1.04 0.00 0.00 100 T 8.45 5.26 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 101 H 8.72 5.00 0.00 3.35 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.96 4.70 0.00 1.91 1.92 0.00 2.85 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 103 F 7.21 4.57 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.81 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.69 0.00 105 I 7.71 4.15 1.58 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 1.16 0.79 0.78 0.00 0.00 106 V 8.46 4.30 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 0.41 0.00 0.00 0.86 0.00 0.00 107 G 8.80 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 0.00 0.00 0.00 0.00 108 Y 8.72 4.29 0.00 2.80 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 0.00 109 D 7.80 4.00 0.00 2.62 2.65 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 0.00 110 E 7.64 3.97 0.00 1.84 1.82 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 2.12 2.27 0.00 111 I 7.11 4.43 1.91 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 1.61 1.16 0.96 0.00 0.00 112 F 8.62 4.98 0.00 3.05 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 0.00 113 G 8.85 4.02 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 0.00 0.00 0.00 114 R 8.01 4.22 0.00 1.93 1.96 0.00 2.76 0.00 0.00 3.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 115 K 8.13 4.35 0.00 1.90 1.95 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 116 D 7.78 4.34 0.00 2.30 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 0.00 0.00 0.00 117 Y 7.47 4.86 0.00 2.99 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 0.00 118 I 7.27 4.60 1.73 0.00 0.00 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 1.16 0.23 0.58 0.00 0.00 119 S 8.49 5.55 0.00 3.89 3.86 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 0.00 120 I 8.45 3.83 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 1.03 0.00 0.00 121 D 8.11 4.94 0.00 2.85 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 0.00 122 S 8.09 4.95 0.00 3.79 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 0.00 123 P 0.00 4.11 0.00 2.08 2.10 0.00 3.50 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 124 M 7.87 3.78 0.00 1.62 1.72 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.05 0.00 125 A 7.37 3.89 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 0.00 126 R 8.14 3.98 0.00 2.00 1.98 0.00 3.30 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 127 A 7.86 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.06 4.13 0.00 1.88 1.79 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.52 3.77 0.00 2.08 1.57 1.12 0.62 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 0.00 130 K 7.69 4.75 0.00 1.80 1.76 0.00 1.87 0.00 0.00 1.88 0.00 0.00 3.70 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.59 7.81 131 K 7.92 4.55 0.00 1.69 1.64 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.42 7.81 132 E 8.68 4.08 0.00 2.03 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 0.00 2.38 2.40 0.00 133 V 8.26 3.80 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 0.74 0.00 0.00 0.94 0.00 0.00 134 G 7.65 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 0.00 0.00 0.00 0.00 135 D 8.03 4.73 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.12 4.57 0.00 1.37 1.43 0.69 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 137 A 9.08 4.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.35 5.10 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 0.81 0.00 0.00 0.97 0.00 0.00 139 V 9.02 4.72 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 0.81 0.00 0.00 0.99 0.00 0.00 140 N 8.54 5.67 0.00 2.67 2.77 0.00 0.00 5.90 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 9.55 4.35 4.23 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 1.26 0.00 0.00 142 P 0.00 3.43 0.00 2.09 1.84 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 143 A 8.28 4.25 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 0.00 144 G 7.88 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 0.00 0.00 0.00 145 E 8.59 5.06 0.00 1.99 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 2.19 2.31 0.00 146 A 8.99 4.97 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 0.00 0.00 0.00 0.00 0.00 147 S 8.63 5.31 0.00 3.91 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 0.00 148 W 9.95 5.33 0.00 3.41 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 0.00 149 Y 8.66 5.17 0.00 2.83 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 0.00 150 V 8.66 3.64 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 151 N 9.56 4.89 0.00 2.82 2.73 0.00 0.00 6.97 7.54 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 0.00 152 A 7.70 4.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.48 4.77 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 1.39 0.60 1.19 0.00 0.00 154 E 9.17 4.73 0.00 1.92 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 0.00 2.22 2.26 0.00 155 Y 9.01 4.78 0.00 2.81 2.99 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 0.00 156 V 8.33 4.08 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 0.60 0.00 0.00 0.94 0.00 0.00