NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1500 8.1727 122.0487 56.2875 34.1103 174.1001 2 V 4.5590 8.1570 127.1012 60.6346 32.2806 174.4555 3 F 4.4251 10.0334 128.7816 57.6223 40.1943 174.8549 4 E 4.2406 9.1923 120.8525 55.4569 31.1043 176.5947 5 R 3.2632 8.9731 119.7344 61.0705 29.9291 179.3283 6 C 4.3405 8.0021 115.4323 59.6845 37.2383 175.7583 7 E 3.9002 8.0999 120.7964 59.2230 29.3243 178.5154 8 L 3.6044 7.9641 120.1474 57.7523 42.0154 178.5435 9 A 3.9259 7.8003 120.7976 55.4926 18.2537 179.9355 10 R 3.8780 8.0245 116.3741 59.5028 30.1640 179.4913 11 T 3.8580 7.7928 115.6447 66.6563 68.4836 176.7356 12 L 3.8500 8.2699 121.2377 57.4625 41.6009 179.4768 13 K 3.8855 8.1880 119.7245 59.5896 31.9556 178.8436 14 R 3.9527 8.0849 118.0415 59.0963 30.0055 177.4806 15 L 4.3839 7.4515 116.0788 54.2035 41.6645 177.0200 16 G 3.8720 7.8186 106.7995 46.8550 0.0000 175.0723 17 M 3.9532 7.8054 121.0543 56.2466 32.4008 175.6630 18 D 4.4204 8.0230 117.7684 55.8364 41.0195 175.7000 19 G 3.9428 9.3088 115.4860 45.4913 0.0000 171.3060 20 Y 4.2245 8.2983 122.0025 58.7617 38.9261 176.4461 21 R 3.5648 8.9646 126.7561 57.2765 27.8090 177.2215 22 G 3.8161 8.2291 103.1584 45.7543 0.0000 174.0058 23 I 4.1068 7.6657 122.1629 59.0754 38.1564 175.8970 24 S 4.6760 8.3244 120.3017 57.6829 63.9739 174.8297 25 L 4.2272 8.6273 123.0065 58.6671 41.7370 179.3076 26 A 4.1534 8.1981 120.0410 55.4050 18.2113 179.2719 27 N 4.4796 8.1619 114.8018 56.3405 38.5592 177.7178 28 W 4.2762 8.0421 119.8912 59.9876 29.1021 178.3587 29 M 4.1510 8.5176 118.8434 58.6433 31.4554 177.9831 30 C 3.1986 8.1698 118.5835 59.0262 42.9894 175.3597 31 L 3.9617 8.1909 121.8958 58.2488 41.7981 178.7666 32 A 4.2284 8.4007 122.2645 54.3402 18.2993 179.3694 33 K 2.7593 8.2054 118.2549 59.3923 32.0167 179.1592 34 W 4.1319 7.6202 117.4594 59.3245 29.0574 178.3940 35 E 4.3192 8.4577 118.8297 58.8130 29.1329 177.9356 36 S 4.4976 7.7616 108.0044 56.6670 64.8578 174.0367 37 G 3.3666 8.0255 108.9351 46.9084 0.0000 173.2350 38 Y 3.6039 7.6033 113.5407 58.7445 35.1022 168.8183 39 N 5.2832 7.7414 119.4347 51.9598 39.9475 175.2149 40 T 4.2021 8.9582 117.9443 63.7566 69.7525 175.7661 41 R 4.6471 8.2391 117.2373 55.7395 30.4478 176.6593 42 A 4.3171 7.7900 123.5167 52.8775 19.3557 177.0214 43 T 5.0222 8.3217 110.8604 60.1085 72.4848 173.0445 44 N 4.8771 8.7552 121.7467 52.3271 42.3444 172.5192 45 Y 4.6290 8.7577 127.9756 57.4042 40.7746 173.8614 46 N 4.8604 8.1566 124.2234 51.0283 38.8821 175.1608 47 A 3.6694 8.2610 127.3902 54.6927 19.0384 179.2725 48 G 3.7674 8.1430 104.3609 48.2718 0.0000 173.9743 49 D 4.7489 7.6297 116.6315 51.9901 39.9828 176.2308 50 R 4.1173 8.0969 116.1491 57.0301 28.1593 175.8493 51 S 4.9772 7.2732 110.3563 57.0505 66.4705 172.7330 52 T 5.0876 8.8973 116.0564 61.9496 72.7347 172.8277 53 D 5.4387 8.9155 125.3158 53.3432 43.0715 175.0567 54 Y 4.9280 9.3182 121.1997 57.4717 41.4471 177.2975 55 G 4.4238 9.0715 112.1528 46.2725 0.0000 173.4579 56 I 3.6406 8.2115 117.0310 63.4176 38.0190 178.0768 57 F 4.8442 7.9004 115.6445 56.3888 39.8876 175.1739 58 Q 3.6071 7.8771 119.2703 57.1067 26.6902 174.1888 59 I 4.3773 8.0683 118.7603 61.2270 39.2330 176.9069 60 N 5.4435 9.1918 125.5459 53.3065 39.8798 175.7890 61 S 4.5685 9.1056 120.2237 60.8668 63.3735 175.4471 62 R 3.7448 8.8340 122.4172 58.7099 30.3554 177.7786 63 Y 4.0384 7.7559 114.4550 57.5204 40.6776 176.8760 64 W 5.0545 8.1465 118.9583 57.6059 31.2677 173.9865 65 C 5.6817 8.1947 111.3939 53.6682 44.5830 172.8749 66 N 5.0470 8.9998 119.1303 52.0179 40.4529 174.7602 67 D 4.8016 8.5851 123.2708 52.1504 40.4519 178.0525 68 G 4.0563 8.5605 107.4694 46.3246 0.0000 174.7641 69 K 4.5093 8.0795 116.8624 56.5888 32.8393 175.6129 70 T 4.6324 7.6842 116.9230 61.3653 69.6369 172.2685 71 P 4.1890 0.0000 0.0000 64.2408 31.6992 176.1075 72 G 3.9575 8.8129 109.9142 46.2640 0.0000 173.0479 73 A 4.3307 7.3659 119.7248 51.4398 19.5505 177.5634 74 V 4.3402 8.5383 112.5735 59.2454 35.5645 176.1862 75 N 4.9326 7.9722 116.8069 51.9620 37.6000 174.4314 76 A 3.9263 9.0063 125.1595 55.1028 19.1005 178.5423 77 C 4.5584 8.5620 110.9197 57.4191 41.1138 173.0422 78 H 4.0549 7.9944 116.5937 56.6944 26.3801 174.2428 79 L 4.8477 8.3254 117.5869 52.8017 46.3775 176.7947 80 S 4.6164 8.3614 115.5572 57.9892 63.2596 175.9808 81 C 4.0272 8.8098 124.5043 59.7359 40.1783 176.4133 82 S 3.9050 7.8835 114.8949 61.3223 61.6621 175.9875 83 A 4.0232 7.8450 122.4424 54.4999 17.9915 177.9663 84 L 4.4334 7.8684 116.2564 55.1310 41.8052 177.6295 85 L 5.0058 7.9070 117.5733 54.5359 42.2755 176.7222 86 Q 4.3601 7.8407 117.7058 55.4089 29.5587 175.9848 87 D 4.3879 8.5474 120.1432 57.1292 41.1400 176.6984 88 N 4.5788 8.0110 118.2271 53.1195 39.0789 174.6558 89 I 4.1976 8.4737 118.9868 61.0305 37.9611 176.9532 90 A 3.9419 8.5433 124.9315 56.0190 18.1891 180.0074 91 D 4.2771 8.0856 116.3592 57.4624 40.9070 178.7287 92 A 4.0993 7.9867 120.8462 55.0514 18.3250 179.7572 93 V 3.3737 8.1938 116.9202 66.0744 31.6424 178.0453 94 A 3.8249 8.0198 120.5978 55.3503 18.0818 178.8558 95 C 4.2283 8.4021 116.7049 59.6765 40.7380 175.5875 96 A 3.9544 8.3093 122.8446 55.0824 17.6038 179.7992 97 K 3.8153 7.8069 116.5472 59.3835 32.3941 179.1800 98 R 4.0779 7.8500 119.0613 59.3255 30.0462 178.4914 99 V 2.5292 7.6861 118.2908 65.9188 31.1542 178.0814 100 V 3.8828 7.7694 109.9956 62.7792 31.2159 178.0915 101 R 4.2315 7.6780 117.3898 57.3619 30.4890 176.5221 102 D 4.7028 7.5331 119.3447 52.7411 41.7976 175.2829 103 P 4.2178 0.0000 0.0000 66.3620 31.0526 177.9121 104 Q 4.0000 8.1664 117.6191 56.3247 29.9554 177.3734 105 G 3.6742 7.8894 106.9996 46.8786 0.0000 176.1364 106 I 3.5217 7.7615 120.5768 63.3414 37.9162 177.7491 107 R 4.2209 7.2514 117.2574 57.6167 30.0595 177.2831 108 A 4.0361 7.7121 121.3666 54.4046 18.5544 177.8667 109 W 4.6767 7.9784 115.9750 55.5210 29.9176 177.6512 110 V 3.7581 8.7296 123.5037 65.9289 30.9257 177.6421 111 A 4.0351 8.3094 120.3008 54.8480 18.1530 179.2185 112 W 4.0087 8.3595 126.4910 60.6717 30.5803 178.4106 113 R 3.8075 8.2768 116.4273 59.3610 29.6523 178.3980 114 N 4.3721 8.2092 115.2092 55.6450 38.7257 176.8608 115 R 4.1075 7.8606 116.0752 55.9057 31.4658 176.0145 116 C 4.5568 7.7446 115.8171 57.5993 42.6680 174.4280 117 Q 3.0652 6.5497 119.6146 57.0381 28.7502 175.2644 118 N 4.1837 8.6368 121.1796 54.4527 36.2002 173.8348 119 R 4.5187 7.2845 115.0309 54.0352 33.4411 175.6650 120 D 4.5499 8.4485 118.9865 54.0440 40.2524 176.0489 121 V 4.5167 8.1520 119.0444 61.3198 32.6080 178.3928 122 R 4.0309 8.0088 121.5379 59.3895 29.5837 178.5379 123 Q 3.9773 8.0707 116.0339 59.6206 28.2493 178.2339 124 Y 4.4070 7.8313 117.4977 59.7676 38.2781 176.6046 125 V 4.3878 7.8110 111.1487 60.7101 33.0401 175.5949 126 Q 4.0907 7.9775 119.6704 57.1973 28.8915 176.3381 127 A 3.7677 8.7311 123.4614 52.9645 16.2305 178.7517 128 C 4.4783 8.0677 112.8018 56.9843 40.6659 174.2783 129 G 3.8947 8.0842 107.2078 46.6137 0.0000 174.2261 130 V 3.9927 7.8658 118.1088 61.0711 31.9332 175.8896 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 K 8.17 4.15 0.00 2.01 1.62 0.00 1.25 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.11 7.81 2 V 8.16 4.56 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 0.91 0.00 0.00 0.94 0.00 0.00 3 F 10.03 4.43 0.00 2.82 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 4 E 9.19 4.24 0.00 1.94 1.86 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 2.31 2.25 0.00 5 R 8.97 3.26 0.00 1.94 1.89 0.00 3.43 0.00 0.00 3.47 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 6 C 8.00 4.34 0.00 3.00 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 7 E 8.10 3.90 0.00 2.06 2.25 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 2.58 2.41 0.00 8 L 7.96 3.60 0.00 1.38 1.37 -0.24 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.80 3.93 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 10 R 8.02 3.88 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 T 7.79 3.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 12 L 8.27 3.85 0.00 1.69 1.56 0.92 0.46 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 13 K 8.19 3.89 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 8.08 3.95 0.00 2.02 1.93 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 L 7.45 4.38 0.00 1.70 1.55 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.82 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 17 M 7.81 3.95 0.00 1.33 1.97 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 18 D 8.02 4.42 0.00 2.69 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 19 G 9.31 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 20 Y 8.30 4.22 0.00 3.35 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 21 R 8.96 3.56 0.00 1.87 1.84 0.00 3.25 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.38 0.00 22 G 8.23 3.82 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 0.00 0.00 0.00 23 I 7.67 4.11 1.76 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 0.88 0.90 -0.26 0.00 0.00 24 S 8.32 4.68 0.00 4.07 4.03 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 25 L 8.63 4.23 0.00 2.08 1.82 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.20 4.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.48 0.00 2.82 2.77 0.00 0.00 6.99 7.59 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 28 W 8.04 4.28 0.00 3.57 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 M 8.52 4.15 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.93 0.00 30 C 8.17 3.20 0.00 2.70 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 31 L 8.19 3.96 0.00 1.87 1.91 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.40 4.23 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.21 2.76 0.00 1.59 1.59 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.58 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.14 0.28 7.81 34 W 7.62 4.13 0.00 3.36 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.46 4.32 0.00 2.01 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 0.00 2.57 2.54 0.00 36 S 7.76 4.50 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 37 G 8.03 3.37 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 38 Y 7.60 3.60 0.00 3.26 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 39 N 7.74 5.28 0.00 2.74 2.86 0.00 0.00 7.01 8.19 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 40 T 8.96 4.20 4.45 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 1.48 0.00 0.00 41 R 8.24 4.65 0.00 1.88 2.09 0.00 3.08 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 42 A 7.79 4.32 1.35 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 0.00 0.00 0.00 43 T 8.32 5.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 44 N 8.76 4.88 0.00 2.93 2.85 0.00 0.00 6.89 7.06 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 45 Y 8.76 4.63 0.00 2.99 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 46 N 8.16 4.86 0.00 2.65 2.58 0.00 0.00 6.64 7.30 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 47 A 8.26 3.67 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 48 G 8.14 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 49 D 7.63 4.75 0.00 2.74 2.80 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 0.00 0.00 0.00 50 R 8.10 4.12 0.00 2.03 2.18 0.00 3.12 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 51 S 7.27 4.98 0.00 3.93 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 52 T 8.90 5.09 4.20 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 0.72 0.00 0.00 53 D 8.92 5.44 0.00 2.70 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 54 Y 9.32 4.93 0.00 2.91 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 55 G 9.07 4.42 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 0.00 56 I 8.21 3.64 1.67 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.18 0.09 0.00 0.00 57 F 7.90 4.84 0.00 3.21 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 58 Q 7.88 3.61 0.00 2.53 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 59 I 8.07 4.38 2.14 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 1.12 0.00 0.00 60 N 9.19 5.44 0.00 3.10 3.06 0.00 0.00 6.97 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 61 S 9.11 4.57 0.00 4.07 4.38 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 62 R 8.83 3.74 0.00 1.54 1.15 0.00 2.60 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 63 Y 7.76 4.04 0.00 1.55 1.91 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 64 W 8.15 5.05 0.00 3.56 3.28 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 65 C 8.19 5.68 0.00 3.09 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.00 5.05 0.00 2.84 2.69 0.00 0.00 7.07 9.25 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 67 D 8.59 4.80 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.56 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 69 K 8.08 4.51 0.00 1.91 1.88 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.45 7.81 70 T 7.68 4.63 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 1.20 0.00 0.00 71 P 0.00 4.19 0.00 2.01 2.00 0.00 3.82 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 2.04 2.11 0.00 72 G 8.81 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.37 4.33 1.24 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 0.00 0.00 74 V 8.54 4.34 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 0.62 0.00 0.00 0.87 0.00 0.00 75 N 7.97 4.93 0.00 2.74 2.56 0.00 0.00 6.76 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 76 A 9.01 3.93 1.24 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 0.00 0.00 77 C 8.56 4.56 0.00 3.31 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 78 H 7.99 4.05 0.00 3.28 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.33 4.85 0.00 1.68 1.50 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.36 4.62 0.00 3.83 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 81 C 8.81 4.03 0.00 2.22 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 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.88 3.91 0.00 3.88 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 83 A 7.84 4.02 1.38 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 84 L 7.87 4.43 0.00 1.93 1.82 1.07 0.43 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 85 L 7.91 5.01 0.00 1.78 1.72 1.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.84 4.36 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 87 D 8.55 4.39 0.00 2.62 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 88 N 8.01 4.58 0.00 2.69 2.75 0.00 0.00 6.97 7.94 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 89 I 8.47 4.20 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.92 0.00 0.00 90 A 8.54 3.94 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 91 D 8.09 4.28 0.00 2.75 2.75 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 92 A 7.99 4.10 1.38 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 93 V 8.19 3.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 94 A 8.02 3.82 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 95 C 8.40 4.23 0.00 3.15 3.29 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 96 A 8.31 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.81 3.82 0.00 1.59 1.34 0.00 1.29 0.00 0.00 0.72 0.00 0.00 2.34 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.96 7.81 98 R 7.85 4.08 0.00 1.99 2.15 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 99 V 7.69 2.53 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 -0.48 0.00 0.00 100 V 7.77 3.88 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 1.22 0.00 0.00 1.40 0.00 0.00 101 R 7.68 4.23 0.00 2.08 2.05 0.00 3.26 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.07 0.00 102 D 7.53 4.70 0.00 3.07 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 0.00 103 P 0.00 4.22 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.17 4.00 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.85 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.89 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 0.00 106 I 7.76 3.52 1.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.31 -0.78 0.00 0.00 107 R 7.25 4.22 0.00 2.01 2.02 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.56 0.00 108 A 7.71 4.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.98 4.68 0.00 3.60 3.28 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 0.00 110 V 8.73 3.76 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 1.17 0.00 0.00 1.00 0.00 0.00 111 A 8.31 4.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.36 4.01 0.00 3.45 3.50 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 0.00 113 R 8.28 3.81 0.00 2.11 2.02 0.00 3.55 0.00 0.00 3.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.16 0.00 114 N 8.21 4.37 0.00 2.66 2.72 0.00 0.00 6.94 7.67 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 0.00 115 R 7.86 4.11 0.00 0.93 0.75 0.00 2.79 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.00 116 C 7.74 4.56 0.00 1.55 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 0.00 117 Q 6.55 3.07 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 118 N 8.64 4.18 0.00 2.79 2.81 0.00 0.00 6.86 7.66 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 0.00 119 R 7.28 4.52 0.00 1.75 1.77 0.00 3.22 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 120 D 8.45 4.55 0.00 2.63 2.61 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 0.00 121 V 8.15 4.52 2.42 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 0.85 0.00 0.00 1.06 0.00 0.00 122 R 8.01 4.03 0.00 1.94 2.01 0.00 3.30 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 123 Q 8.07 3.98 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.13 1.47 0.00 124 Y 7.83 4.41 0.00 3.23 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 0.00 125 V 7.81 4.39 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 1.01 0.00 0.00 1.07 0.00 0.00 126 Q 7.98 4.09 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.16 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 127 A 8.73 3.77 1.38 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 0.00 128 C 8.07 4.48 0.00 3.09 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 0.00 129 G 8.08 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 0.00 0.00 0.00 130 V 7.87 3.99 2.11 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 0.75 0.00 0.00 0.96 0.00 0.00