NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.9645 0.0000 0.0000 62.5934 33.7653 173.9745 2 I 4.8083 8.2334 120.2921 59.6934 39.4602 170.5203 3 V 4.5539 8.9362 119.2561 59.5742 36.8421 173.7186 4 Q 4.9626 8.4997 123.5132 54.7656 30.2240 175.3633 5 N 4.7622 9.1091 124.9922 51.5430 38.9336 175.9041 6 L 4.1499 8.2944 117.3637 57.8558 41.6137 178.5811 7 Q 4.0939 8.1205 115.0210 56.3146 28.6500 176.5510 8 G 3.8905 8.4829 106.6933 45.8567 0.0000 173.2155 9 Q 4.7001 8.3659 118.4196 53.9289 31.6522 174.9031 10 M 4.8076 8.5472 122.6324 55.1843 32.6035 176.0641 11 V 4.5842 9.2464 117.5530 59.2557 36.2886 174.6037 12 H 4.7410 8.7963 122.8323 56.2916 30.4150 174.1162 13 Q 4.6073 8.8301 126.8072 54.0413 31.1851 175.1419 14 A 4.2857 8.4555 128.5313 51.2715 19.5418 177.1243 15 I 3.7750 8.0187 120.9201 60.9111 37.9187 177.1288 16 S 4.1926 8.6027 119.0437 58.0074 63.9625 173.6373 17 P 4.2911 0.0000 0.0000 65.9067 31.0352 179.0570 18 R 3.9354 7.8833 117.7391 59.5723 29.9761 179.0922 19 T 3.9891 7.8571 115.0556 66.4177 68.4274 176.5926 20 L 4.1394 8.1142 121.1637 58.0041 41.6509 179.3901 21 N 4.3486 8.6854 116.5321 56.2438 38.6039 177.2168 22 A 4.0511 8.7212 122.5596 54.9120 18.3716 179.5728 23 W 4.3200 8.4188 126.7831 60.7834 30.8839 178.2681 24 V 3.2722 8.1001 118.3952 66.0255 30.8575 178.1674 25 K 3.9279 8.0612 118.1194 59.2789 31.8174 179.5531 26 V 3.5019 7.5749 118.3221 65.9920 31.3316 178.3499 27 V 3.2090 7.3654 118.3070 65.3758 30.9802 177.8250 28 E 3.7926 8.0731 117.0115 59.4780 29.5221 178.5103 29 E 4.2645 7.9368 117.8988 56.6672 30.1007 177.3272 30 K 4.1847 8.0852 117.3450 57.2697 32.3626 181.4398 31 A 2.5800 6.2835 117.2115 51.0502 20.5550 177.7890 32 F 4.9850 7.4104 112.4613 55.9965 40.9932 175.9349 33 S 4.3545 8.2777 116.3493 57.4536 62.8373 173.1714 34 P 4.3955 0.0000 0.0000 66.6902 30.8578 178.9775 35 E 4.2691 8.1373 115.9543 59.7723 29.5086 182.1650 36 V 3.9795 7.9010 118.6224 65.6082 31.5603 178.4696 37 I 3.8075 7.6659 120.4614 64.0014 37.0698 176.6754 38 P 4.3692 0.0000 0.0000 65.8008 31.0309 178.6708 39 M 4.1530 7.9996 117.8472 58.1172 31.8281 178.3720 40 F 3.6138 8.6395 121.0544 61.3531 39.3540 177.1012 41 S 3.8674 7.8034 110.4649 61.2686 62.1925 175.6971 42 A 4.0726 7.6608 122.6463 54.8688 18.2919 178.9239 43 L 4.2005 7.8459 115.0357 55.2907 42.1397 177.5839 44 S 4.4783 7.1505 114.2043 57.3806 63.3559 173.7724 45 E 3.9420 8.0373 120.9205 58.7902 29.8025 177.5590 46 G 3.8163 8.9444 110.7984 45.4639 0.0000 172.9872 47 A 4.3741 7.4809 122.9788 51.7986 19.1010 178.1400 48 T 4.2458 8.6556 112.1171 60.2998 71.2602 174.3235 49 P 4.4681 0.0000 0.0000 65.9378 31.2970 178.4014 50 Q 3.9945 8.2915 118.1187 59.6161 28.9202 178.4609 51 D 4.4091 8.2445 119.5477 57.2743 40.7304 178.8327 52 L 3.9407 8.1720 119.4887 58.0742 41.6349 179.2712 53 N 4.3991 8.6110 116.5193 56.8128 38.1921 177.6299 54 T 3.8738 7.7812 116.4381 66.7853 68.7236 176.4403 55 M 4.3010 8.1638 120.7112 58.3877 32.1302 178.8468 56 L 4.2938 8.3551 119.5000 57.8837 41.6343 179.0423 57 N 4.6465 8.9132 115.5567 55.3832 38.5610 176.6896 58 T 4.2581 7.7415 110.1171 61.9958 69.2167 174.7586 59 V 3.6341 7.3400 122.9584 62.3905 31.9035 175.8480 60 G 3.6882 8.7490 117.0422 46.9678 0.0000 173.4170 61 G 3.6467 9.2253 111.5915 45.2922 0.0000 174.3544 62 H 4.1005 8.8709 118.9933 55.9029 26.4941 175.6836 63 Q 3.9862 8.1633 120.3307 59.3854 29.0972 178.7714 64 A 4.0353 8.0087 120.7335 55.1505 18.5258 179.3742 65 A 3.6863 7.7371 118.8360 55.1284 18.4517 179.3571 66 M 4.0126 8.4613 117.3432 58.9107 32.3096 178.5308 67 Q 4.0461 8.2148 118.2734 58.7565 28.8112 178.3444 68 M 4.0353 7.9234 119.4274 58.3396 32.3401 177.6761 69 L 3.9136 7.9399 120.5768 58.5258 42.1672 179.2984 70 K 4.0745 8.2469 117.9963 59.2676 31.8086 179.0719 71 E 3.9375 8.2522 119.8195 59.6053 29.7354 178.9624 72 T 3.8514 7.9067 115.7990 66.5706 68.4058 176.7397 73 I 3.8527 7.7852 121.6792 64.6736 37.2524 178.3389 74 N 4.3312 8.5329 117.6480 56.1669 38.3117 177.3230 75 E 3.9000 8.2641 120.3504 59.5043 29.4562 179.2029 76 E 3.6268 7.7108 117.7947 58.6368 29.4350 179.1145 77 A 3.4263 7.4648 120.9249 54.7497 18.3833 179.5552 78 A 3.9397 7.9420 119.4114 55.1359 18.3915 179.5071 79 E 3.8102 8.1129 117.9430 59.0084 29.6238 178.6171 80 W 4.2177 8.3780 128.7990 60.8752 30.5266 177.7034 81 D 4.3899 8.0334 117.3716 57.3460 40.3123 178.4144 82 R 3.9839 7.8165 118.7533 59.3490 30.1546 178.1706 83 T 4.0784 7.4729 107.8664 62.6918 70.4905 174.6825 84 H 4.6668 7.5128 118.2872 52.7722 28.7260 171.3065 85 P 4.3677 0.0000 0.0000 61.5493 32.2897 175.6432 86 P 4.3302 0.0000 0.0000 62.5514 31.9364 175.9601 87 A 4.1916 8.3258 124.2870 51.7296 19.1664 177.1402 88 M 4.1133 8.4745 121.7470 55.2564 32.9028 176.5172 89 G 3.9171 8.3421 114.3686 44.2270 0.0000 171.0700 90 P 4.5445 0.0000 0.0000 62.0388 32.1911 175.9169 91 L 4.3175 8.1225 119.5887 53.5836 42.5409 175.4197 92 P 4.5815 0.0000 0.0000 61.0741 32.2462 173.9529 93 P 4.3117 0.0000 0.0000 64.1242 31.6075 177.1584 94 G 3.9439 8.9231 108.5641 45.7258 0.0000 172.9584 95 Q 4.7098 7.6221 117.9825 53.8980 31.5004 174.6828 96 I 4.4630 7.8513 113.3090 58.5413 40.1290 175.3460 97 R 4.2393 8.3283 116.5875 55.9248 29.8113 176.2982 98 E 4.1863 8.5658 119.2888 55.3293 30.1752 175.3326 99 P 3.8486 0.0000 0.0000 62.5836 31.9287 177.1730 100 R 4.6179 9.0547 121.9262 55.0863 32.5488 178.0393 101 G 3.8203 9.5898 107.3883 48.2011 0.0000 176.2478 102 S 4.1977 8.0543 116.0755 61.3676 63.0707 176.2057 103 D 4.4027 7.9089 122.0252 57.1201 40.3711 178.5701 104 I 3.3034 7.3179 119.2696 64.0011 37.1185 177.7683 105 A 2.5800 7.4871 118.9038 52.1648 18.3504 178.3981 106 G 3.8883 7.4290 105.4591 45.4909 0.0000 175.2174 107 T 4.0214 7.6961 116.3190 66.3310 68.4997 175.6929 108 T 4.5309 7.8652 107.5188 60.9789 69.3534 173.8369 109 S 5.0367 7.8098 116.1988 56.6933 65.7000 174.3839 110 T 4.3237 8.4865 113.5083 60.6328 71.1541 175.8552 111 L 3.8514 8.2195 122.5491 58.4938 42.0425 178.8480 112 Q 3.8851 7.9935 117.3746 59.0113 28.6062 178.7701 113 E 3.3235 7.7089 118.9838 59.3045 29.3804 179.3017 114 Q 4.2158 8.0020 118.2139 59.2529 28.8015 179.2343 115 I 3.7971 8.0197 121.0397 64.0393 36.9388 178.7483 116 G 3.4200 7.8961 106.6921 47.5591 0.0000 175.6605 117 W 4.4423 7.9130 122.4699 59.8605 28.8876 178.6961 118 M 4.3332 8.3479 117.3228 57.4844 31.4525 177.8052 119 T 4.4803 7.6293 107.1326 60.6746 69.9640 174.1935 120 H 4.1121 7.4215 122.5889 56.3994 30.5185 173.5143 121 N 5.0307 8.0218 121.9732 50.9351 39.9531 172.4403 122 P 4.6155 0.0000 0.0000 61.6410 32.5406 174.4012 123 P 4.8132 0.0000 0.0000 61.7400 32.0324 176.5710 124 I 4.4093 8.3600 121.9795 58.9911 38.8901 175.3504 125 P 4.6299 0.0000 0.0000 61.1214 28.2637 176.2849 126 V 3.3758 7.6880 117.2102 65.0809 31.8683 178.2977 127 G 3.7041 7.8631 106.0939 47.4578 0.0000 175.5253 128 E 3.9137 8.0014 121.0989 58.7703 29.6222 179.4505 129 I 3.4082 7.6754 120.0379 64.3348 37.0384 177.8244 130 Y 3.5744 7.3969 120.2450 60.2517 38.5025 177.6662 131 K 3.7196 8.0860 120.8420 59.7585 32.2020 178.6245 132 R 3.9600 7.7913 117.9761 59.3288 30.0440 179.0418 133 W 4.4637 7.9646 118.1333 60.0280 28.9709 178.7056 134 I 3.7108 8.0499 119.9070 64.2252 36.3417 178.5676 135 I 3.7415 8.0750 121.0329 64.1192 36.9498 178.4081 136 L 4.1309 8.1509 120.2688 57.6743 41.4359 179.7835 137 G 3.6236 8.2264 105.8070 47.7079 0.0000 175.6957 138 L 4.0524 8.1568 121.5571 57.6317 41.4429 179.3191 139 N 4.3344 8.4766 116.6614 56.3252 38.6481 177.3623 140 K 4.0032 7.8675 120.6984 59.4478 32.3368 178.9457 141 I 3.9229 7.9528 113.5392 63.8346 37.3317 178.3106 142 V 3.8637 7.9057 119.5741 65.9437 31.3967 177.7237 143 R 4.0477 7.6519 117.4152 59.7166 30.0509 178.0607 144 M 4.0716 7.9083 116.9825 56.2566 32.4479 176.1428 145 Y 3.9754 7.0863 115.2143 56.7846 40.6437 175.6453 146 S 4.0927 8.6434 116.0012 58.9460 63.5411 171.6227 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 P 0.00 4.96 0.00 2.03 2.13 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 2 I 8.23 4.81 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.95 0.00 0.00 3 V 8.94 4.55 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 4 Q 8.50 4.96 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 5 N 9.11 4.76 0.00 2.93 2.94 0.00 0.00 6.57 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.29 4.15 0.00 1.63 1.77 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.12 4.09 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.31 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 8 G 8.48 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 9 Q 8.37 4.70 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 10 M 8.55 4.81 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 11 V 9.25 4.58 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 0.74 0.00 0.00 0.97 0.00 0.00 12 H 8.80 4.74 0.00 3.14 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.83 4.61 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 14 A 8.46 4.29 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 15 I 8.02 3.77 1.85 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 1.24 0.54 0.87 0.00 0.00 16 S 8.60 4.19 0.00 3.87 3.72 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 17 P 0.00 4.29 0.00 2.31 2.31 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 18 R 7.88 3.94 0.00 1.91 2.03 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 19 T 7.86 3.99 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 1.18 0.00 0.00 20 L 8.11 4.14 0.00 1.90 1.82 0.95 0.56 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 21 N 8.69 4.35 0.00 3.01 2.88 0.00 0.00 6.90 7.09 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 22 A 8.72 4.05 1.40 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 0.00 0.00 23 W 8.42 4.32 0.00 3.40 3.36 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 24 V 8.10 3.27 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 0.91 0.00 0.00 1.01 0.00 0.00 25 K 8.06 3.93 0.00 1.97 1.80 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.60 7.81 26 V 7.57 3.50 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 1.05 0.00 0.00 1.06 0.00 0.00 27 V 7.37 3.21 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 0.00 0.00 0.66 0.00 0.00 -0.35 0.00 0.00 28 E 8.07 3.79 0.00 2.00 2.16 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 2.23 2.28 0.00 29 E 7.94 4.26 0.00 1.91 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 2.26 2.44 0.00 30 K 8.09 4.18 0.00 1.85 1.68 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.36 7.81 31 A 6.28 2.58 0.30 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 32 F 7.41 4.98 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.28 4.35 0.00 3.83 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 34 P 0.00 4.40 0.00 2.23 2.15 0.00 3.69 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 2.15 2.22 0.00 35 E 8.14 4.27 0.00 1.93 1.95 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 2.24 2.19 0.00 36 V 7.90 3.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 37 I 7.67 3.81 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.98 0.00 0.00 38 P 0.00 4.37 0.00 2.12 2.14 0.00 4.09 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 39 M 8.00 4.15 0.00 2.20 2.44 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.88 0.00 40 F 8.64 3.61 0.00 3.08 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 41 S 7.80 3.87 0.00 3.96 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 42 A 7.66 4.07 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 43 L 7.85 4.20 0.00 1.31 1.56 1.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.15 4.48 0.00 3.52 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.04 3.94 0.00 1.89 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 0.00 2.25 2.23 0.00 46 G 8.94 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 47 A 7.48 4.37 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 0.00 0.00 48 T 8.66 4.25 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 49 P 0.00 4.47 0.00 2.26 2.19 0.00 3.82 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 2.09 2.27 0.00 50 Q 8.29 3.99 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 51 D 8.24 4.41 0.00 2.94 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 52 L 8.17 3.94 0.00 1.88 1.62 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.61 4.40 0.00 2.93 2.97 0.00 0.00 7.11 7.83 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 54 T 7.78 3.87 4.43 0.00 0.00 0.00 0.00 0.00 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 55 M 8.16 4.30 0.00 1.66 2.11 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.40 0.00 56 L 8.36 4.29 0.00 1.75 1.79 0.84 0.84 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 57 N 8.91 4.65 0.00 2.77 2.94 0.00 0.00 7.09 7.87 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 58 T 7.74 4.26 4.34 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 1.36 0.00 0.00 59 V 7.34 3.63 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 0.77 0.00 0.00 0.95 0.00 0.00 60 G 8.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.23 3.65 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 0.00 62 H 8.87 4.10 0.00 3.27 3.27 0.00 5.64 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 63 Q 8.16 3.99 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 64 A 8.01 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.74 3.69 0.61 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 0.00 0.00 66 M 8.46 4.01 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 67 Q 8.21 4.05 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 68 M 7.92 4.04 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 69 L 7.94 3.91 0.00 1.80 1.85 0.85 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.25 4.07 0.00 2.07 1.89 0.00 1.91 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 71 E 8.25 3.94 0.00 2.10 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 0.00 2.31 2.39 0.00 72 T 7.91 3.85 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 1.25 0.00 0.00 73 I 7.79 3.85 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.79 1.29 0.00 0.00 74 N 8.53 4.33 0.00 2.82 2.85 0.00 0.00 7.09 7.21 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 75 E 8.26 3.90 0.00 2.08 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 2.29 2.58 0.00 76 E 7.71 3.63 0.00 1.16 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 2.30 2.26 0.00 77 A 7.46 3.43 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 78 A 7.94 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 79 E 8.11 3.81 0.00 2.09 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 2.27 2.34 0.00 80 W 8.38 4.22 0.00 3.74 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 81 D 8.03 4.39 0.00 2.94 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 82 R 7.82 3.98 0.00 1.79 2.06 0.00 3.22 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 83 T 7.47 4.08 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 1.15 0.00 0.00 84 H 7.51 4.67 0.00 2.58 2.94 0.00 5.86 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.37 0.00 2.15 2.02 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 86 P 0.00 4.33 0.00 2.22 2.13 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 87 A 8.33 4.19 1.27 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 0.00 0.00 0.00 88 M 8.47 4.11 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 89 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 90 P 0.00 4.54 0.00 2.20 2.07 0.00 3.77 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 1.99 1.99 0.00 91 L 8.12 4.32 0.00 1.68 1.66 0.96 1.09 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 92 P 0.00 4.58 0.00 2.20 2.00 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 93 P 0.00 4.31 0.00 2.18 2.06 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 94 G 8.92 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 95 Q 7.62 4.71 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 96 I 7.85 4.46 1.88 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.82 0.00 0.00 97 R 8.33 4.24 0.00 2.05 2.09 0.00 3.16 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 98 E 8.57 4.19 0.00 2.01 1.92 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 2.37 2.27 0.00 99 P 0.00 3.85 0.00 1.36 0.49 0.00 3.51 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 0.00 100 R 9.05 4.62 0.00 1.94 1.97 0.00 3.36 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 101 G 9.59 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 0.00 102 S 8.05 4.20 0.00 4.07 4.16 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 0.00 103 D 7.91 4.40 0.00 2.77 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 0.00 104 I 7.32 3.30 1.53 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.01 -0.18 0.00 0.00 105 A 7.49 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.43 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 0.00 107 T 7.70 4.02 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 1.22 0.00 0.00 108 T 7.87 4.53 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 1.23 0.00 0.00 109 S 7.81 5.04 0.00 4.19 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 0.00 110 T 8.49 4.32 4.34 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 1.18 0.00 0.00 111 L 8.22 3.85 0.00 1.89 1.63 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.99 3.89 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 113 E 7.71 3.32 0.00 1.75 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 1.95 2.11 0.00 114 Q 8.00 4.22 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 115 I 8.02 3.80 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.88 0.00 0.00 116 G 7.90 3.42 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 0.00 117 W 7.91 4.44 0.00 3.30 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 0.00 118 M 8.35 4.33 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 119 T 7.63 4.48 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 120 H 7.42 4.11 0.00 3.50 3.48 0.00 5.52 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.02 5.03 0.00 2.66 2.63 0.00 0.00 7.06 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 0.00 122 P 0.00 4.62 0.00 2.27 2.07 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 123 P 0.00 4.81 0.00 2.10 2.06 0.00 3.71 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 124 I 8.36 4.41 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.75 0.00 0.00 125 P 0.00 4.63 0.00 2.22 2.20 0.00 3.71 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 2.01 2.05 0.00 126 V 7.69 3.38 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 0.56 0.00 0.00 1.07 0.00 0.00 127 G 7.86 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.00 3.91 0.00 2.05 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 2.36 2.31 0.00 129 I 7.68 3.41 1.39 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.03 0.02 0.00 0.00 130 Y 7.40 3.57 0.00 2.69 2.73 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 0.00 131 K 8.09 3.72 0.00 1.92 1.88 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.47 1.55 7.81 132 R 7.79 3.96 0.00 2.11 2.11 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 133 W 7.96 4.46 0.00 3.60 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.05 3.71 1.74 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.12 0.30 0.00 0.00 135 I 8.08 3.74 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.03 0.96 0.00 0.00 136 L 8.15 4.13 0.00 1.95 1.76 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.23 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 0.00 0.00 0.00 138 L 8.16 4.05 0.00 1.85 1.76 0.61 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.48 4.33 0.00 2.93 2.90 0.00 0.00 6.63 7.84 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 0.00 140 K 7.87 4.00 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 141 I 7.95 3.92 1.73 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.56 0.96 0.00 0.00 142 V 7.91 3.86 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.10 0.00 0.00 143 R 7.65 4.05 0.00 1.81 2.12 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 144 M 7.91 4.07 0.00 1.77 2.11 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 145 Y 7.09 3.98 0.00 2.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.64 4.09 0.00 4.29 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 0.00