NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4989 8.2893 120.3518 55.5155 33.1510 174.9738 4 S 4.5731 8.1435 120.3268 55.4381 67.5031 173.1392 5 D 4.3981 9.4940 124.2468 57.5940 41.0406 180.3376 6 L 4.0534 7.9010 119.0238 57.7901 41.6458 179.5674 7 V 3.7439 7.9104 118.1943 66.3179 31.3637 178.1081 8 T 3.8731 7.9759 115.5313 66.7166 68.1055 176.5412 9 K 3.9923 8.0921 120.2578 59.2362 32.5968 178.3557 10 F 4.3914 8.3715 121.2310 61.3834 39.1331 177.0320 11 E 3.8826 8.5918 118.6673 58.2402 29.2861 178.8566 12 S 4.2161 7.4598 113.0963 59.2328 63.3583 174.6024 13 L 4.2256 6.8142 122.9225 54.0275 42.5603 178.0489 14 I 3.4962 8.1495 122.5245 64.3924 37.1664 178.7082 15 I 3.2125 7.4044 112.9096 62.9485 37.2469 177.7431 16 S 3.5917 7.2623 115.5646 60.9518 62.0712 175.3511 17 K 4.2468 7.5246 116.7688 56.4584 32.0309 176.7059 18 Y 4.3981 6.9889 116.4438 57.5980 38.7584 174.9009 19 P 4.6241 0.0000 0.0000 62.0969 30.3292 176.8826 20 V 3.7264 7.6180 119.3693 62.0183 32.7096 177.9720 21 S 4.7248 8.4738 120.9541 55.1896 64.1502 171.6099 22 F 5.0934 8.5150 125.4893 56.3815 39.5495 176.3531 23 T 4.2880 8.8932 115.8352 60.9905 70.8812 175.5992 24 K 3.9011 8.5729 121.1336 59.7671 32.0520 178.3509 25 E 3.9571 8.0832 118.2768 59.4216 29.4269 179.1572 26 Q 3.7592 8.0163 118.0082 59.0098 28.6914 178.9763 27 S 4.2108 8.2986 116.0853 61.5908 62.8331 176.5227 28 A 3.9814 8.4804 123.7439 55.3554 18.2060 179.8118 29 Q 3.8911 8.0880 116.1184 59.0597 28.8701 178.6236 30 A 4.1213 8.2836 122.0016 55.2015 18.3956 179.5428 31 A 4.0167 8.2946 119.5769 55.3884 18.4939 179.9276 32 Q 3.8651 8.2846 116.3056 59.0577 28.5721 178.7415 33 W 4.1316 8.0701 120.8755 59.3301 29.0171 178.3468 34 E 4.0895 8.5550 118.1066 59.4290 29.0298 179.4176 35 S 4.0940 8.1942 115.3090 61.0787 63.0945 176.7789 36 V 3.4579 7.7262 121.9008 65.6398 31.2604 177.8912 37 L 4.1141 8.3782 121.4387 58.6201 41.3109 180.4503 38 K 4.0981 8.2131 122.7397 59.6390 31.7299 180.7646 39 S 4.5321 8.1152 113.6903 59.2402 62.9630 175.3439 40 G 3.9550 7.7910 110.0877 46.2834 0.0000 173.8934 41 Q 4.7810 7.6182 116.9569 55.0702 29.6590 177.4861 42 I 4.0074 7.9748 120.7976 64.6446 38.0997 178.6142 43 Q 3.9552 8.3829 120.5093 59.0047 28.6819 176.6900 44 P 4.3752 0.0000 0.0000 65.1492 31.5496 177.2001 45 H 4.8061 7.9619 113.7552 55.7939 28.7583 176.8937 46 L 4.1464 7.9067 123.7242 57.9953 41.3726 179.1556 47 D 4.5389 8.2410 118.5581 57.3529 40.7790 178.5346 48 Q 4.0690 8.1912 118.2156 58.8379 28.8064 178.4040 49 L 3.8628 8.3563 121.3622 58.2896 42.1317 178.4268 50 N 4.2763 8.5787 117.3196 56.6222 38.4117 176.5575 51 L 3.8660 7.9067 121.6752 58.0290 42.1272 178.8362 52 V 3.6057 7.9250 118.3587 66.3119 31.2301 177.9472 53 L 4.5734 7.5818 117.5841 56.2488 41.4858 178.2423 54 R 3.4020 7.4706 119.1204 58.6711 29.9374 176.7527 55 D 4.7885 7.3081 114.3479 53.9245 42.5223 175.9424 56 N 4.9466 7.7305 117.0177 51.3313 42.0753 175.4247 57 T 3.4868 8.6092 119.8865 65.9221 68.9543 174.4172 58 F 5.1978 7.3223 117.9466 55.1443 42.3339 176.2657 59 I 3.4334 9.1043 124.0309 64.0553 36.8363 177.6879 60 V 4.1634 7.6601 118.0126 62.8596 31.8743 175.0775 61 S 3.7025 7.5549 110.0827 59.4933 60.7995 172.3346 62 T 4.6953 7.6709 107.5337 59.5763 71.3328 174.3771 63 L 3.9614 8.4638 123.9251 57.2824 42.2902 176.3752 64 Y 4.7860 7.4028 113.6643 54.6815 41.2065 173.4208 65 P 3.8655 0.0000 0.0000 62.8594 32.1033 176.0519 66 T 4.8444 8.7290 111.1057 59.4555 72.8160 175.1443 67 S 3.8128 8.6682 115.1894 61.9260 62.4568 176.4090 68 T 3.9039 7.4706 118.7877 66.7046 68.2485 175.9105 69 D 4.6939 8.0903 119.8723 57.5780 40.9239 179.0020 70 V 3.5231 7.2709 117.9417 66.2710 31.5410 177.7685 71 H 4.3205 8.4977 116.3078 59.0480 28.5768 178.0497 72 V 3.8177 8.1995 120.1992 65.9062 31.2868 177.6972 73 F 4.2388 9.0310 120.9892 61.3926 38.9412 176.6476 74 E 3.6771 8.2483 117.8206 59.1959 29.5971 178.6406 75 V 3.7502 7.5313 116.5499 65.7040 31.6862 177.9664 76 A 3.9989 8.4811 121.0448 54.7255 18.2035 179.0044 77 L 3.6733 7.7265 119.4316 57.9821 42.1681 177.5390 78 P 4.2107 0.0000 0.0000 65.6943 31.0846 178.0375 79 L 3.9388 7.4140 118.2381 57.9022 41.6149 179.7285 80 I 3.7095 8.1541 120.1311 64.0460 37.2131 178.4608 81 K 4.1302 8.1089 119.0086 58.9843 32.4098 178.8802 82 D 4.2591 7.9513 120.1166 57.3780 41.0400 178.0604 83 L 4.0354 7.3911 120.0354 58.0406 40.5252 179.1002 84 V 3.7481 7.9515 119.1103 65.9385 31.3229 177.9359 85 A 4.0972 7.8443 118.7983 54.0155 17.9782 178.6407 86 S 4.5716 7.9586 111.4329 57.3367 63.6196 173.9499 87 S 4.3390 7.2490 117.9221 58.4926 62.7600 174.2460 88 K 4.0704 8.6655 126.3659 58.0224 32.5942 176.1198 89 D 4.7176 7.5486 120.8265 53.0042 41.4670 177.4735 90 V 2.8989 7.7242 120.4292 60.5919 33.6403 175.6467 91 K 4.4086 9.2959 122.8123 54.2396 28.7723 181.1375 92 S 4.4283 5.9405 115.0104 61.5884 63.8959 176.2749 93 T 4.1309 8.1857 119.0005 66.9282 67.9591 175.7955 94 Y 3.8966 8.1292 116.7322 61.3191 38.2663 178.0286 95 T 4.0678 7.8127 110.7990 65.3432 68.5265 176.3694 96 T 3.8300 8.1714 118.1112 65.8780 68.8421 176.2781 97 Y 4.5457 8.3284 117.7868 58.2866 39.2778 178.3054 98 R 3.8953 7.9001 120.0597 59.6408 29.5202 177.5866 99 H 4.2827 7.8436 116.5585 58.7803 28.7770 177.5176 100 I 3.8925 7.8089 121.1582 64.3965 36.9559 178.3218 101 L 3.9793 7.9275 120.0948 57.8109 41.5342 179.8211 102 R 3.9965 8.4764 116.5299 58.9036 29.3362 178.8041 103 W 4.1698 8.3369 129.0018 60.2219 30.6659 177.8620 104 I 3.5749 8.7854 120.7701 64.7199 36.3410 177.8590 105 D 4.5793 8.2831 119.9222 56.7824 40.9293 177.7557 106 Y 3.8620 7.9372 119.9180 61.0150 38.9110 177.8200 107 M 3.7319 7.8033 119.9302 58.0454 31.4100 178.8088 108 Q 3.9337 7.8388 118.1109 59.2105 28.6450 178.3708 109 N 4.3273 7.6341 117.0695 55.5388 38.4317 177.0146 110 L 3.7229 7.6111 121.6705 58.0511 42.0885 177.7186 111 L 4.3279 7.7330 114.7232 53.8759 41.9498 176.3136 112 E 3.7274 7.5779 117.4497 57.0447 27.3596 175.4546 113 V 3.7513 8.0568 117.7671 62.6325 32.7683 176.2153 114 S 4.3102 8.5314 121.6482 58.3059 64.6375 175.5125 115 S 4.1360 8.7295 119.4008 62.1640 62.5023 176.5301 116 T 3.9998 7.8129 115.4201 64.7735 67.3424 175.1612 117 D 4.5659 7.4058 117.5588 54.1064 41.6456 176.9386 118 K 4.0683 7.4854 121.2431 55.9628 32.8076 175.7493 119 L 4.2448 8.4430 129.7009 54.3966 42.4663 176.6557 120 E 4.1637 8.7713 123.1008 55.8435 29.9268 172.6046 121 I 4.4578 8.2149 125.9341 59.2689 38.4588 175.5813 122 N 4.2912 9.2475 124.9562 56.9763 39.0672 174.4895 123 H 4.5339 8.2704 117.8257 56.3047 28.5735 174.6821 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 3 M 8.29 4.50 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 4 S 8.14 4.57 0.00 4.28 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 5 D 9.49 4.40 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.90 4.05 0.00 1.77 1.82 1.05 0.99 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 7 V 7.91 3.74 2.29 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 1.24 0.00 0.00 1.08 0.00 0.00 8 T 7.98 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 1.22 0.00 0.00 9 K 8.09 3.99 0.00 1.78 1.88 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 10 F 8.37 4.39 0.00 3.18 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 11 E 8.59 3.88 0.00 2.11 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 2.32 2.38 0.00 12 S 7.46 4.22 0.00 3.91 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 13 L 6.81 4.23 0.00 1.77 1.44 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.15 3.50 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.34 0.59 0.00 0.00 15 I 7.40 3.21 1.67 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.71 0.00 0.00 16 S 7.26 3.59 0.00 3.11 3.64 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 17 K 7.52 4.25 0.00 1.59 1.61 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.21 7.81 18 Y 6.99 4.40 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.62 0.00 2.20 2.12 0.00 3.94 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 20 V 7.62 3.73 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 0.72 0.00 0.00 0.93 0.00 0.00 21 S 8.47 4.72 0.00 3.59 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 22 F 8.51 5.09 0.00 3.03 2.96 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 23 T 8.89 4.29 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 1.25 0.00 0.00 24 K 8.57 3.90 0.00 1.87 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.56 7.81 25 E 8.08 3.96 0.00 2.08 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 2.39 2.45 0.00 26 Q 8.02 3.76 0.00 2.21 1.26 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 2.34 2.32 0.00 27 S 8.30 4.21 0.00 4.14 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 28 A 8.48 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 29 Q 8.09 3.89 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 30 A 8.28 4.12 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.29 4.02 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 32 Q 8.28 3.87 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.38 1.81 0.00 33 W 8.07 4.13 0.00 3.51 3.30 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 34 E 8.55 4.09 0.00 2.33 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 0.00 2.37 2.65 0.00 35 S 8.19 4.09 0.00 4.05 4.22 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 36 V 7.73 3.46 2.20 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 1.01 0.00 0.00 0.38 0.00 0.00 37 L 8.38 4.11 0.00 1.97 1.77 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.21 4.10 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 S 8.12 4.53 0.00 4.03 4.10 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 40 G 7.79 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 41 Q 7.62 4.78 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 42 I 7.97 4.01 1.95 0.00 0.00 1.13 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 1.14 1.01 0.00 0.00 43 Q 8.38 3.96 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 44 P 0.00 4.38 0.00 2.00 2.08 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 45 H 7.96 4.81 0.00 3.54 3.42 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.91 4.15 0.00 1.77 1.78 0.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.24 4.54 0.00 2.84 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 48 Q 8.19 4.07 0.00 2.50 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 49 L 8.36 3.86 0.00 1.87 1.86 -0.28 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.58 4.28 0.00 3.05 2.98 0.00 0.00 6.92 6.24 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 51 L 7.91 3.87 0.00 1.82 1.88 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.92 3.61 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 0.87 0.00 0.00 1.20 0.00 0.00 53 L 7.58 4.57 0.00 1.52 1.58 0.11 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.47 3.40 0.00 1.68 2.00 0.00 3.17 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 55 D 7.31 4.79 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.73 4.95 0.00 2.64 2.70 0.00 0.00 6.88 8.31 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 57 T 8.61 3.49 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 -0.02 0.00 0.00 58 F 7.32 5.20 0.00 3.17 3.32 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 59 I 9.10 3.43 1.71 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.17 0.36 0.00 0.00 60 V 7.66 4.16 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 0.14 0.00 0.00 0.90 0.00 0.00 61 S 7.55 3.70 0.00 4.01 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 62 T 7.67 4.70 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 1.51 0.00 0.00 63 L 8.46 3.96 0.00 1.41 1.37 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.40 4.79 0.00 3.04 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 65 P 0.00 3.87 0.00 1.93 1.61 0.00 3.49 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.80 0.00 66 T 8.73 4.84 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 1.48 0.00 0.00 67 S 8.67 3.81 0.00 3.94 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 0.00 68 T 7.47 3.90 4.30 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 1.24 0.00 0.00 69 D 8.09 4.69 0.00 2.79 2.94 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 70 V 7.27 3.52 1.89 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 1.05 0.00 0.00 0.11 0.00 0.00 71 H 8.50 4.32 0.00 3.24 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.20 3.82 2.27 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 0.88 0.00 0.00 0.92 0.00 0.00 73 F 9.03 4.24 0.00 2.73 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 74 E 8.25 3.68 0.00 2.15 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 2.32 2.28 0.00 75 V 7.53 3.75 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 0.98 0.00 0.00 0.96 0.00 0.00 76 A 8.48 4.00 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 77 L 7.73 3.67 0.00 0.81 1.16 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.21 0.00 2.25 2.23 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 79 L 7.41 3.94 0.00 2.04 1.75 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.15 3.71 1.96 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 1.60 0.61 0.87 0.00 0.00 81 K 8.11 4.13 0.00 2.00 2.05 0.00 1.29 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.42 7.81 82 D 7.95 4.26 0.00 2.87 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 83 L 7.39 4.04 0.00 1.71 1.70 0.56 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.95 3.75 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 1.14 0.00 0.00 1.00 0.00 0.00 85 A 7.84 4.10 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 86 S 7.96 4.57 0.00 4.04 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 87 S 7.25 4.34 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 88 K 8.67 4.07 0.00 1.81 1.86 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 89 D 7.55 4.72 0.00 2.71 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 90 V 7.72 2.90 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 0.76 0.00 0.00 0.93 0.00 0.00 91 K 9.30 4.41 0.00 1.73 2.00 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 0.89 7.81 92 S 5.94 4.43 0.00 4.12 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 93 T 8.19 4.13 4.68 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 1.27 0.00 0.00 94 Y 8.13 3.90 0.00 3.03 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 95 T 7.81 4.07 4.26 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 1.29 0.00 0.00 96 T 8.17 3.83 4.15 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 0.44 0.00 0.00 97 Y 8.33 4.55 0.00 3.15 2.94 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 98 R 7.90 3.90 0.00 1.98 2.35 0.00 2.87 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 99 H 7.84 4.28 0.00 3.26 3.38 0.00 5.62 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 0.00 100 I 7.81 3.89 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.00 1.13 0.00 0.00 101 L 7.93 3.98 0.00 1.70 1.55 -0.06 0.67 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 0.00 102 R 8.48 4.00 0.00 2.12 2.24 0.00 2.84 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 103 W 8.34 4.17 0.00 3.38 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.79 3.57 2.12 0.00 0.00 1.00 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 0.90 1.03 0.00 0.00 105 D 8.28 4.58 0.00 2.97 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 0.00 106 Y 7.94 3.86 0.00 3.21 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 0.00 107 M 7.80 3.73 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 2.00 0.00 108 Q 7.84 3.93 0.00 2.39 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 109 N 7.63 4.33 0.00 2.72 2.75 0.00 0.00 6.58 6.62 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 0.00 110 L 7.61 3.72 0.00 1.26 1.65 0.91 1.04 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 0.00 111 L 7.73 4.33 0.00 1.66 1.68 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.58 3.73 0.00 2.03 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 0.00 2.21 2.18 0.00 113 V 8.06 3.75 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 0.82 0.00 0.00 1.15 0.00 0.00 114 S 8.53 4.31 0.00 4.09 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 0.00 115 S 8.73 4.14 0.00 4.05 4.07 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 0.00 116 T 7.81 4.00 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 0.00 117 D 7.41 4.57 0.00 2.81 2.69 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 0.00 118 K 7.49 4.07 0.00 1.91 1.73 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.58 7.81 119 L 8.44 4.24 0.00 1.63 1.59 0.96 0.89 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 0.00 120 E 8.77 4.16 0.00 2.03 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 121 I 8.21 4.46 1.89 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 1.29 0.84 0.68 0.00 0.00 122 N 9.25 4.29 0.00 2.31 2.61 0.00 0.00 7.31 7.18 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 0.00 123 H 8.27 4.53 0.00 3.42 3.34 0.00 5.78 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