NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5285 8.3193 115.4140 59.0248 64.4114 171.9688 2 H 4.6878 8.0051 113.5962 54.1861 30.6489 172.3206 3 S 4.3821 8.7512 116.3590 58.8263 64.4602 174.4230 4 G 3.8415 8.3572 108.4091 45.1889 0.0000 171.1560 5 V 5.2577 8.2449 119.1185 61.0739 34.1049 174.8875 6 N 5.0463 9.3846 125.3249 51.2892 39.7710 175.7174 7 Q 4.1629 8.8143 117.1330 57.9923 28.7064 177.5648 8 L 4.4473 8.2398 116.0570 54.1758 42.7088 177.1820 9 G 3.9535 8.8288 107.9580 44.9842 0.0000 173.8343 10 G 4.3190 8.6044 107.7175 45.0829 0.0000 173.5320 11 V 5.6344 8.5926 116.4289 59.4266 32.9659 175.4870 12 F 4.9999 8.5423 119.1136 55.1075 42.1184 173.9675 13 V 4.3705 8.3049 120.2542 60.7653 32.9557 173.8780 14 N 4.4253 8.4859 126.7733 56.4228 38.6525 174.7974 15 G 4.0324 9.3812 114.1413 45.1446 0.0000 172.2909 16 R 4.7293 7.6146 117.3738 53.3210 33.3141 173.8457 17 P 4.5522 0.0000 0.0000 61.9497 32.1243 176.6976 18 L 4.2077 8.1504 120.3441 53.8641 42.4659 176.2743 19 P 4.3747 0.0000 0.0000 62.9380 33.2470 177.5009 20 D 4.4096 8.7575 120.6837 57.4709 40.7160 179.4602 21 S 4.1061 7.9816 114.3949 61.8940 62.9450 176.6721 22 T 3.8811 7.8006 119.0811 66.1552 68.1667 176.8330 23 R 3.8523 8.0120 120.0505 59.2793 30.0798 179.1478 24 Q 3.8561 8.4519 118.2245 58.8724 28.6632 178.8477 25 R 3.9899 7.9939 119.0363 59.4076 30.1689 178.8480 26 I 3.6511 7.8541 119.8538 64.6458 37.1201 178.8949 27 V 3.4736 7.3739 119.3733 64.5179 31.2557 178.1831 28 E 3.9240 8.4974 119.5852 59.2245 29.3188 179.3756 29 L 3.9790 8.6013 119.0379 57.6684 41.6191 179.2873 30 A 4.2898 7.9970 122.0429 54.9932 18.1188 179.0226 31 H 4.2098 8.4859 116.0835 59.3531 29.9745 176.6775 32 S 4.4858 7.6067 112.4705 58.5773 63.1302 174.6631 33 G 3.9834 8.1986 110.8640 45.4220 0.0000 173.5427 34 A 4.3240 8.0401 123.4501 51.2032 19.6293 178.3383 35 R 4.2334 8.4683 121.1396 55.0104 32.1858 176.2724 36 P 4.2868 0.0000 0.0000 66.2351 31.3531 178.7321 37 C 4.3666 7.9862 113.8034 60.8359 29.3695 175.6006 38 D 4.3241 8.0045 120.7899 57.2696 40.4977 178.4926 39 I 3.6733 7.8261 120.2651 64.3754 37.0917 178.3589 40 S 4.1351 8.3059 114.1295 61.3497 62.0992 176.1820 41 R 3.8176 8.0496 121.1661 59.5488 29.6822 178.4357 42 I 3.7307 7.7685 118.3306 64.1962 37.3090 177.7370 43 L 4.3360 7.9360 116.0142 53.6519 42.6990 176.3877 44 Q 3.4282 7.6623 118.1106 57.1519 26.9737 173.3369 45 V 4.5785 7.3651 115.4283 60.4617 34.2271 175.7523 46 S 4.2067 8.2796 121.0225 58.3739 64.3017 174.9346 47 N 4.3485 8.9064 122.4044 56.8316 38.3598 177.8003 48 G 3.6866 8.0347 106.2735 47.8079 0.0000 175.2015 49 C 4.0721 7.6722 120.3634 62.2319 31.5461 175.6702 50 V 3.5277 7.8510 119.9304 66.0468 30.9771 177.8481 51 S 4.0720 8.2711 112.9510 61.2606 62.1650 176.0844 52 K 3.9174 7.9875 122.1877 59.5608 31.9400 178.8668 53 I 3.6741 7.8966 120.1114 64.3390 36.9900 178.3656 54 L 3.8355 8.1770 120.2066 57.6490 41.5455 179.7424 55 G 3.7347 8.2896 105.7941 48.0810 0.0000 175.7150 56 R 3.9550 8.3421 121.9150 58.9261 30.0134 177.9208 57 Y 4.3056 7.9968 120.9495 60.4838 38.5777 177.7791 58 Y 4.2935 7.7515 116.1136 60.5446 37.9768 177.6334 59 A 4.3116 7.7575 121.2546 53.7167 19.0808 177.9565 60 T 4.3029 8.0427 104.4315 60.3587 70.0974 175.1047 61 G 3.5346 8.4606 110.2466 45.7871 0.0000 173.1740 62 S 4.8436 7.8297 114.5429 56.3647 63.9992 174.4333 63 I 4.3625 8.1881 118.7626 60.8602 38.6152 176.1959 64 R 4.1140 7.4669 121.4556 55.2531 30.4531 174.7816 65 P 4.4794 0.0000 0.0000 62.5483 32.1776 176.1801 66 R 4.2497 8.1360 118.1422 54.9090 31.1402 176.3752 67 A 4.0855 8.3336 122.8837 52.4426 18.7012 177.5467 68 I 4.2632 8.2792 124.2140 61.0525 39.5284 177.9159 69 G 3.5687 8.9382 110.7842 45.3596 0.0000 173.9032 70 G 3.8665 8.8576 112.0416 46.1270 0.0000 171.4890 71 S 4.5268 8.1967 112.5266 57.7527 65.5323 173.6855 72 K 4.5246 8.1484 119.8747 53.8198 33.6362 175.0826 73 P 4.2734 0.0000 0.0000 63.5667 31.7797 176.1189 74 R 4.3980 8.7615 121.4254 57.7651 31.5249 177.5002 75 V 4.0482 7.7509 107.8527 62.8671 33.5126 176.9303 76 A 4.3591 7.6529 122.5288 51.4904 17.4585 177.2321 77 T 4.1687 7.3183 114.2943 60.3274 71.5252 173.4077 78 P 4.1889 0.0000 0.0000 66.0048 31.3168 178.5206 79 E 3.8738 8.1254 117.3379 59.1959 29.5093 178.8950 80 V 3.5012 7.3510 117.9342 65.8945 31.5853 178.1701 81 V 3.5410 8.0348 118.3313 66.0770 31.2914 178.1035 82 S 4.0452 8.2784 115.1380 61.5039 62.6888 176.8618 83 K 3.5702 7.9923 121.0595 59.3198 31.7348 179.3302 84 I 3.4024 7.8025 120.1212 64.3596 36.9584 178.3179 85 A 3.9369 7.9852 121.4920 55.0704 18.0065 179.3742 86 Q 3.8534 8.1327 118.4352 59.5334 29.1891 178.3145 87 Y 4.3818 8.0986 117.9404 61.2233 37.7393 178.5613 88 K 3.9693 8.0062 118.0408 59.3505 32.1858 178.7313 89 Q 4.1224 8.0994 119.3885 59.2785 29.1246 178.1236 90 E 4.3934 7.7752 115.9419 57.5996 31.1987 176.9032 91 C 4.6405 7.8162 119.8968 57.2949 32.8105 171.7533 92 P 4.2910 0.0000 0.0000 65.0986 31.2656 177.6894 93 S 4.1968 7.7898 109.3617 58.6126 63.2643 174.0913 94 I 3.7470 7.2226 122.2590 61.0861 38.3981 175.8985 95 F 4.7043 8.4485 125.2518 56.3171 41.3311 177.0410 96 A 4.0627 8.8061 123.2656 55.3552 18.1687 180.3287 97 W 4.3535 8.4015 114.6360 59.7738 28.1989 178.2690 98 E 3.0627 6.8097 118.8709 58.8678 28.8244 179.1429 99 I 3.6940 7.7771 120.1575 64.1937 37.1312 178.2254 100 R 3.9263 8.3959 119.9761 59.7405 29.9300 177.9434 101 D 4.4711 8.4529 118.7440 57.7586 40.8512 179.5264 102 R 3.7294 7.8604 118.0066 59.3689 30.0712 178.8797 103 L 4.2372 8.1997 118.6571 58.0977 41.6108 179.8890 104 L 4.0254 8.0630 118.9338 57.7921 41.5292 179.4900 105 S 4.1526 8.2219 112.7404 61.4811 62.9367 175.5414 106 E 4.0270 8.5173 119.2417 57.0114 29.3655 177.6771 107 G 3.9036 8.0933 106.8290 46.0332 0.0000 175.0525 108 V 3.8125 7.9381 121.5329 64.7824 31.7734 175.9909 109 C 4.9639 7.7060 115.0777 58.2430 32.2238 173.1710 110 T 4.5473 8.7888 112.5851 59.9146 70.3034 175.5365 111 N 4.5115 8.6344 118.8301 55.4109 38.6431 175.8912 112 D 4.6101 7.8715 117.5316 55.3252 41.5533 177.0175 113 N 4.9090 7.8522 113.8765 52.1403 37.6000 174.2781 114 I 3.8505 7.6477 119.4028 60.5519 38.5887 174.0381 115 P 4.5117 0.0000 0.0000 62.1333 32.0797 176.8717 116 S 4.4632 8.3111 115.5354 57.9735 65.2234 175.4017 117 V 3.6178 8.3515 122.0748 66.1865 31.1401 178.0652 118 S 4.1086 8.1074 112.3329 61.7437 62.1990 176.2403 119 S 4.1389 8.2977 117.7594 61.5652 62.4853 176.7269 120 I 3.7192 8.0247 122.7578 64.7258 36.9098 178.3445 121 N 4.4555 8.5610 117.4314 56.0336 38.3095 177.6085 122 R 3.8904 8.2865 120.8087 59.2484 30.1135 178.6055 123 V 3.5593 8.3848 118.5268 66.1518 31.5369 177.9401 124 L 3.9759 8.2865 118.9773 57.9409 41.5409 179.8640 125 R 3.9539 8.3965 118.3994 59.2440 29.9993 178.7405 126 N 4.3435 8.7085 116.6691 56.4071 38.6643 177.4551 127 L 3.9743 8.2631 120.2978 57.4885 41.4472 179.2281 128 A 3.9989 7.7826 120.1275 55.4307 18.6789 179.6273 129 S 4.3646 8.0066 112.3718 61.2726 63.3228 175.8644 130 E 3.9302 8.1621 123.3363 59.0208 29.1272 178.3308 131 K 4.3758 7.6634 114.5932 57.8473 33.0779 178.1027 132 Q 4.1917 8.2922 120.2120 58.4091 29.0995 175.6270 133 Q 4.1467 7.4644 121.2028 56.4051 28.8099 177.0680 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 S 8.32 4.53 0.00 3.98 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 2 H 8.01 4.69 0.00 3.18 3.20 0.00 5.52 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 3 S 8.75 4.38 0.00 3.70 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 4 G 8.36 3.84 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 0.00 5 V 8.24 5.26 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 0.90 0.00 0.00 0.94 0.00 0.00 6 N 9.38 5.05 0.00 2.64 2.55 0.00 0.00 7.10 7.26 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 7 Q 8.81 4.16 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 8 L 8.24 4.45 0.00 1.86 1.67 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.83 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 10 G 8.60 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 11 V 8.59 5.63 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 0.78 0.00 0.00 0.95 0.00 0.00 12 F 8.54 5.00 0.00 3.10 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 13 V 8.30 4.37 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 0.95 0.00 0.00 0.88 0.00 0.00 14 N 8.49 4.43 0.00 2.72 2.77 0.00 0.00 7.58 8.06 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 15 G 9.38 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 0.00 0.00 0.00 16 R 7.61 4.73 0.00 1.92 1.82 0.00 3.34 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 17 P 0.00 4.55 0.00 2.04 1.98 0.00 3.69 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 2.03 2.11 0.00 18 L 8.15 4.21 0.00 1.61 1.59 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.37 0.00 2.15 1.98 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 20 D 8.76 4.41 0.00 2.67 2.71 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 0.00 0.00 0.00 0.00 21 S 7.98 4.11 0.00 4.03 4.11 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 22 T 7.80 3.88 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 1.20 0.00 0.00 23 R 8.01 3.85 0.00 1.95 1.91 0.00 3.36 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 24 Q 8.45 3.86 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 25 R 7.99 3.99 0.00 2.02 1.96 0.00 3.47 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 26 I 7.85 3.65 1.97 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 1.54 1.12 0.83 0.00 0.00 27 V 7.37 3.47 1.22 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 0.70 0.00 0.00 0.36 0.00 0.00 28 E 8.50 3.92 0.00 2.18 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 2.29 0.00 29 L 8.60 3.98 0.00 1.84 1.71 0.91 1.14 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 30 A 8.00 4.29 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.49 4.21 0.00 3.25 3.58 0.00 5.75 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 32 S 7.61 4.49 0.00 4.08 3.97 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 33 G 8.20 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 0.00 0.00 0.00 34 A 8.04 4.32 1.31 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 0.00 0.00 35 R 8.47 4.23 0.00 2.05 1.87 0.00 3.16 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 36 P 0.00 4.29 0.00 2.17 2.14 0.00 3.63 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 2.16 2.22 0.00 37 C 7.99 4.37 0.00 3.14 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 38 D 8.00 4.32 0.00 2.91 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 39 I 7.83 3.67 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.89 0.00 0.00 40 S 8.31 4.14 0.00 3.86 4.05 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 0.00 0.00 0.00 0.00 41 R 8.05 3.82 0.00 2.03 2.06 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 42 I 7.77 3.73 1.87 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 1.52 0.78 0.91 0.00 0.00 43 L 7.94 4.34 0.00 1.68 1.69 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.66 3.43 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 45 V 7.37 4.58 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 0.78 0.00 0.00 0.99 0.00 0.00 46 S 8.28 4.21 0.00 4.00 3.84 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 47 N 8.91 4.35 0.00 2.73 2.92 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 48 G 8.03 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 49 C 7.67 4.07 0.00 2.97 3.05 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 0.00 0.00 0.00 0.00 50 V 7.85 3.53 2.22 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 1.02 0.00 0.00 0.94 0.00 0.00 51 S 8.27 4.07 0.00 3.93 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 52 K 7.99 3.92 0.00 2.00 1.77 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 53 I 7.90 3.67 1.83 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 1.50 0.51 0.84 0.00 0.00 54 L 8.18 3.84 0.00 1.79 1.70 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.29 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 0.00 0.00 0.00 56 R 8.34 3.96 0.00 1.88 1.94 0.00 3.11 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 57 Y 8.00 4.31 0.00 2.95 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 58 Y 7.75 4.29 0.00 3.14 2.89 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 59 A 7.76 4.31 1.37 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 60 T 8.04 4.30 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 1.24 0.00 0.00 61 G 8.46 3.53 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 0.00 62 S 7.83 4.84 0.00 3.91 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 63 I 8.19 4.36 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.81 0.00 0.00 64 R 7.47 4.11 0.00 1.78 1.91 0.00 3.32 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 65 P 0.00 4.48 0.00 2.18 2.05 0.00 3.76 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 1.99 1.98 0.00 66 R 8.14 4.25 0.00 1.83 1.91 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 67 A 8.33 4.09 1.25 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 0.00 0.00 68 I 8.28 4.26 1.88 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 1.35 0.79 0.92 0.00 0.00 69 G 8.94 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 0.00 0.00 0.00 70 G 8.86 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 71 S 8.20 4.53 0.00 3.95 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 72 K 8.15 4.52 0.00 1.76 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 73 P 0.00 4.27 0.00 2.03 2.17 0.00 3.65 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 2.03 2.12 0.00 74 R 8.76 4.40 0.00 1.79 1.96 0.00 3.18 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 75 V 7.75 4.05 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 0.72 0.00 0.00 0.94 0.00 0.00 76 A 7.65 4.36 1.25 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 0.00 0.00 77 T 7.32 4.17 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 1.21 0.00 0.00 78 P 0.00 4.19 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 79 E 8.13 3.87 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 2.35 2.34 0.00 80 V 7.35 3.50 2.22 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 0.96 0.00 0.00 0.97 0.00 0.00 81 V 8.03 3.54 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 0.94 0.00 0.00 1.02 0.00 0.00 82 S 8.28 4.05 0.00 4.01 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 K 7.99 3.57 0.00 1.69 1.20 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 84 I 7.80 3.40 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.89 0.00 0.00 85 A 7.99 3.94 1.31 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 0.00 0.00 86 Q 8.13 3.85 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 87 Y 8.10 4.38 0.00 3.05 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 88 K 8.01 3.97 0.00 1.88 1.87 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.59 7.81 89 Q 8.10 4.12 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 90 E 7.78 4.39 0.00 2.14 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 2.53 2.47 0.00 91 C 7.82 4.64 0.00 2.92 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 92 P 0.00 4.29 0.00 2.03 2.08 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 93 S 7.79 4.20 0.00 3.80 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 94 I 7.22 3.75 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.87 0.00 0.00 95 F 8.45 4.70 0.00 2.67 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 96 A 8.81 4.06 1.50 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 0.00 0.00 97 W 8.40 4.35 0.00 3.69 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 98 E 6.81 3.06 0.00 1.77 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 1.47 1.47 0.00 99 I 7.78 3.69 2.11 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 1.53 0.77 1.10 0.00 0.00 100 R 8.40 3.93 0.00 2.06 2.22 0.00 3.22 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 101 D 8.45 4.47 0.00 2.81 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 0.00 102 R 7.86 3.73 0.00 1.81 1.40 0.00 2.21 0.00 0.00 2.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.29 0.00 103 L 8.20 4.24 0.00 1.98 1.82 0.97 0.84 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 0.00 104 L 8.06 4.03 0.00 1.89 1.73 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.22 4.15 0.00 3.93 4.05 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 0.00 0.00 0.00 0.00 106 E 8.52 4.03 0.00 2.08 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 2.33 2.40 0.00 107 G 8.09 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 0.00 108 V 7.94 3.81 2.22 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 0.79 0.00 0.00 1.01 0.00 0.00 109 C 7.71 4.96 0.00 2.96 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 0.00 110 T 8.79 4.55 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 1.22 0.00 0.00 111 N 8.63 4.51 0.00 2.75 2.94 0.00 0.00 6.92 8.07 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 0.00 112 D 7.87 4.61 0.00 2.69 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 0.00 113 N 7.85 4.91 0.00 2.80 2.87 0.00 0.00 6.96 7.81 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 0.00 114 I 7.65 3.85 2.01 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 1.46 0.73 0.94 0.00 0.00 115 P 0.00 4.51 0.00 2.11 1.98 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 116 S 8.31 4.46 0.00 4.07 4.01 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 0.00 117 V 8.35 3.62 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 1.21 0.00 0.00 1.05 0.00 0.00 118 S 8.11 4.11 0.00 3.95 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 0.00 119 S 8.30 4.14 0.00 4.08 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 0.00 120 I 8.02 3.72 2.12 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 1.56 0.88 0.96 0.00 0.00 121 N 8.56 4.46 0.00 2.87 2.90 0.00 0.00 6.83 7.89 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 0.00 122 R 8.29 3.89 0.00 1.94 2.04 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 123 V 8.38 3.56 2.28 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 1.04 0.00 0.00 0.97 0.00 0.00 124 L 8.29 3.98 0.00 1.89 1.71 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.40 3.95 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 126 N 8.71 4.34 0.00 2.85 2.87 0.00 0.00 7.05 6.70 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 0.00 127 L 8.26 3.97 0.00 1.83 1.70 0.89 1.34 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 0.00 128 A 7.78 4.00 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 0.00 129 S 8.01 4.36 0.00 4.10 4.13 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 0.00 130 E 8.16 3.93 0.00 2.38 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 2.31 2.34 0.00 131 K 7.66 4.38 0.00 1.98 1.89 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.46 7.81 132 Q 8.29 4.19 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 133 Q 7.46 4.15 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00