NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3820 8.1927 115.2919 58.2639 64.5558 175.3670 2 N 3.9376 7.5544 120.9133 55.9272 39.7884 174.9776 3 I 3.8427 8.5857 118.8557 64.0924 39.9087 176.5498 4 I 3.9859 7.0998 123.0788 61.6186 36.9621 173.6336 5 K 4.0317 8.3733 118.1481 58.9713 31.3856 177.1764 6 Q 4.3259 7.6390 119.8641 58.6758 29.0842 178.3355 7 L 4.1420 7.4966 119.6680 57.1001 42.3552 178.2902 8 E 4.1529 7.9240 118.7774 59.2267 29.6658 178.5109 9 Q 3.9037 9.2811 118.3024 59.3397 28.2092 178.3071 10 E 4.0434 7.9456 119.7774 58.4567 29.6094 177.6913 11 Q 4.4470 8.3175 116.7103 56.0311 30.6085 176.0078 12 M 3.8832 6.6257 117.3719 55.3416 32.7060 175.6287 13 K 4.6014 7.8831 118.8188 55.5222 35.1125 175.9219 14 Q 4.4892 8.5325 118.5098 56.0477 28.9890 175.2429 15 D 4.7591 7.7572 116.8196 54.5675 41.6312 176.6483 16 V 4.2173 7.5736 111.6054 58.4619 33.6068 174.4868 17 P 4.4401 0.0000 0.0000 61.6865 33.1303 175.3610 18 S 4.2935 8.1800 112.8492 59.2297 62.9238 172.7908 19 F 5.3141 7.3482 119.4191 58.0257 42.4946 173.6114 20 R 4.5841 7.7518 122.7324 55.9861 31.7948 173.2901 21 P 4.4012 0.0000 0.0000 64.0984 31.2313 176.7373 22 G 3.9649 7.6004 106.2794 45.5885 0.0000 173.2517 23 D 4.6533 7.5909 119.7369 55.2617 41.4607 177.1947 24 T 4.2076 8.7061 115.9859 64.7862 69.0359 174.4197 25 V 3.5838 8.3198 119.9269 60.9315 32.0171 171.3933 26 E 4.9445 8.0868 121.1832 54.0383 30.0130 174.0920 27 V 3.8665 8.2489 123.4726 62.4281 33.2600 174.5629 28 K 4.9454 8.5743 124.8189 55.0021 35.2940 175.6664 29 V 5.2571 8.1454 117.9760 58.2315 35.0791 175.6416 30 W 5.0458 8.4936 122.8745 56.9772 29.4104 176.6023 31 V 4.1755 8.8956 122.2046 60.8749 32.7192 178.5897 32 V 3.6975 8.1867 120.6682 61.8544 32.1621 172.6935 33 E 3.4169 8.3050 120.4019 57.3655 29.2552 173.9755 34 G 3.7915 8.3390 101.8758 46.9768 0.0000 174.2586 35 S 4.5667 7.6503 116.6861 58.5935 64.9578 176.2792 36 K 4.3110 7.7531 118.4445 57.7591 32.1467 177.2029 37 K 4.2885 8.4604 121.3066 57.8271 34.3274 174.7055 38 R 4.1745 7.7924 117.6512 57.2844 30.4327 174.6102 39 L 5.2923 8.4647 118.4069 53.1171 44.0953 175.9857 40 Q 4.5778 9.5350 125.8235 54.5016 30.5135 174.3278 41 A 4.6527 8.6636 129.1284 51.9274 19.5124 176.8281 42 F 4.5487 9.6848 124.8614 56.2935 40.7353 172.1638 43 E 4.7557 8.5169 125.1071 54.0185 30.1988 174.1167 44 G 3.9692 8.6493 116.7535 45.5096 0.0000 172.6534 45 V 4.9136 9.1258 124.0250 60.9776 34.9029 175.3573 46 V 4.1940 8.1061 122.2877 61.7020 31.6898 174.4983 47 I 4.3554 8.5338 116.5173 62.2582 39.4968 176.4765 48 A 4.6396 7.8987 124.8462 50.3854 20.3405 175.7603 49 I 4.6967 7.8191 117.5774 59.5184 42.3693 173.5841 50 R 4.1026 8.6652 120.7168 57.0115 28.5875 177.9537 51 N 4.2655 9.7337 107.5559 53.3330 35.2857 174.9261 52 R 4.5670 8.1641 112.6251 54.5490 32.7313 177.3932 53 G 3.8529 8.0887 108.1271 45.2064 0.0000 173.3599 54 L 3.9950 8.9133 119.9273 58.5564 42.0069 178.0811 55 H 4.5894 7.7935 115.4992 55.4852 28.5126 174.8500 56 S 4.5586 8.3744 119.8511 57.2911 67.0479 173.8425 57 A 5.6495 8.5458 126.1464 50.0094 21.9072 175.9063 58 F 4.6666 8.8771 115.4769 59.6209 40.7557 173.8062 59 T 3.2220 8.0810 129.1230 62.9944 65.7805 170.7912 60 V 4.7565 7.6653 125.2855 61.0889 35.2045 174.5472 61 R 5.4033 8.8143 126.3228 55.3296 31.3467 176.5017 62 K 3.9394 8.2555 120.9058 56.9426 34.7437 176.0085 63 I 3.3822 7.7062 116.5866 62.3028 34.9035 174.0614 64 S 4.5061 7.6057 122.9505 58.6920 61.8930 178.2903 65 N 4.5844 9.1448 127.2653 54.3556 35.9638 175.1588 66 G 3.9955 8.2659 101.8177 45.8004 0.0000 171.4988 67 E 4.4657 7.7394 120.9039 54.2853 32.1811 175.2779 68 G 3.9705 8.8586 114.6635 47.2213 0.0000 172.2910 69 V 4.8341 8.2319 113.2290 59.8471 36.7495 173.8089 70 E 5.7152 8.5471 120.3187 54.3235 33.3459 175.8948 71 R 4.0229 8.0581 123.5839 53.6574 29.9174 173.9816 72 V 3.8883 7.7750 114.2125 61.0078 30.5753 175.6262 73 F 4.3939 7.9876 124.7161 57.0474 40.7118 175.2524 74 Q 5.1927 8.1769 115.1223 55.8909 29.4657 180.8483 75 T 2.5068 6.8935 108.4076 64.5271 69.4985 173.6358 76 H 4.2852 8.4268 122.2392 57.5063 29.3978 176.3710 77 S 4.1923 7.2880 115.8902 57.5192 62.9804 172.5683 78 P 4.2865 0.0000 0.0000 66.0558 31.3464 178.7358 79 V 3.6952 8.1372 110.8521 64.3065 31.7174 178.7143 80 V 3.1813 7.7340 119.1740 63.0476 32.7351 179.1396 81 D 3.5784 7.8685 117.7519 54.7443 41.6837 175.7191 82 S 4.6597 5.8100 111.1467 56.9135 66.5771 173.6065 83 I 4.1390 7.6763 115.3036 60.8288 40.3786 173.2100 84 S 4.9339 8.2545 125.8064 57.1723 64.5348 172.8627 85 V 3.9342 8.1342 114.1991 61.2680 33.5025 176.7883 86 K 3.9500 8.3631 117.5653 56.3930 32.2819 174.5421 87 R 4.7081 7.6606 115.2592 54.8719 34.0114 174.1344 88 R 5.0659 8.1693 122.5820 54.1405 32.0810 175.3220 89 G 4.6303 8.3356 106.9169 44.5763 0.0000 171.2950 90 A 4.4656 8.7482 122.7660 51.5809 18.9269 176.8327 91 V 4.0124 8.1963 119.9750 64.5609 34.0266 175.5495 92 R 3.6933 8.8643 114.4852 55.5594 26.9873 175.2424 93 K 4.2380 7.2270 114.4978 55.9995 35.2693 174.1694 94 A 4.2356 8.6539 127.3371 53.5120 19.2604 177.9372 95 K 4.6049 7.4888 113.5138 53.7651 35.3584 177.3733 96 L 4.5206 8.0585 128.5137 54.0702 40.8637 177.6243 97 Y 4.4554 7.5469 118.9769 60.9741 38.7967 178.5049 98 Y 4.1844 8.2384 117.0022 59.6814 38.0889 176.7249 99 L 3.8558 6.2534 119.5878 55.3553 42.6380 177.3244 100 R 3.8715 7.9745 119.1776 59.0332 29.3146 178.2149 101 E 4.4002 8.6167 118.0510 56.5050 28.0211 175.8695 102 R 4.2614 7.6643 118.3396 57.2484 33.0409 176.9522 103 T 3.3990 7.7941 113.8195 61.8805 67.4294 171.1114 104 G 3.7133 8.4147 111.2302 46.3712 0.0000 171.0452 105 K 3.9190 8.2424 116.9836 57.5051 30.8556 177.6120 106 A 4.1875 7.8582 124.4114 54.3018 18.7519 177.9314 107 A 4.3914 7.3941 116.8186 52.1806 19.6459 177.9786 108 R 3.8510 8.0360 116.1644 56.7270 30.4546 175.8938 109 I 4.4685 8.1070 116.1214 58.5965 39.5374 175.5678 110 K 4.0709 8.7788 127.2738 56.4027 32.8205 176.7097 111 E 3.9779 8.9436 122.9963 56.6929 29.7039 176.4600 112 R 3.8489 8.8522 120.5664 55.5321 30.5679 174.9342 113 L 3.4925 7.5904 130.3288 55.1634 39.8575 174.4255 114 N 4.5837 8.3474 119.5812 52.8563 38.8290 174.9805 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 8.19 4.38 0.00 3.88 3.76 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 2 N 7.55 3.94 0.00 2.70 2.81 0.00 0.00 7.30 7.07 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 3 I 8.59 3.84 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 1.42 1.20 0.92 0.00 0.00 4 I 7.10 3.99 2.05 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 1.31 0.85 0.97 0.00 0.00 5 K 8.37 4.03 0.00 2.33 1.80 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.36 7.81 6 Q 7.64 4.33 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 7 L 7.50 4.14 0.00 1.88 1.68 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.92 4.15 0.00 2.16 1.94 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 2.31 2.35 0.00 9 Q 9.28 3.90 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 10 E 7.95 4.04 0.00 2.35 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 0.00 2.32 2.35 0.00 11 Q 8.32 4.45 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 12 M 6.63 3.88 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.39 0.00 13 K 7.88 4.60 0.00 1.79 1.71 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.41 7.81 14 Q 8.53 4.49 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.64 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 15 D 7.76 4.76 0.00 2.58 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 16 V 7.57 4.22 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 0.84 0.00 0.00 0.97 0.00 0.00 17 P 0.00 4.44 0.00 2.07 2.01 0.00 3.57 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 18 S 8.18 4.29 0.00 3.84 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 19 F 7.35 5.31 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 4.58 0.00 1.98 1.93 0.00 3.23 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 21 P 0.00 4.40 0.00 2.17 2.09 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 22 G 7.60 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 23 D 7.59 4.65 0.00 2.70 2.62 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 24 T 8.71 4.21 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 1.29 0.00 0.00 25 V 8.32 3.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 26 E 8.09 4.94 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 27 V 8.25 3.87 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 -0.04 0.00 0.00 1.18 0.00 0.00 28 K 8.57 4.95 0.00 1.61 1.62 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.42 7.81 29 V 8.15 5.26 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 0.79 0.00 0.00 1.11 0.00 0.00 30 W 8.49 5.05 0.00 3.38 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 31 V 8.90 4.18 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 0.93 0.00 0.00 1.04 0.00 0.00 32 V 8.19 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.89 0.00 0.00 33 E 8.30 3.42 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 34 G 8.34 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.57 0.00 3.85 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 36 K 7.75 4.31 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 37 K 8.46 4.29 0.00 1.64 1.73 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.32 7.81 38 R 7.79 4.17 0.00 1.97 2.21 0.00 2.96 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 39 L 8.46 5.29 0.00 1.59 1.64 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.54 4.58 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 41 A 8.66 4.65 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 42 F 9.68 4.55 0.00 3.16 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 43 E 8.52 4.76 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 44 G 8.65 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 0.00 0.00 0.00 45 V 9.13 4.91 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 0.92 0.00 0.00 0.91 0.00 0.00 46 V 8.11 4.19 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.71 0.00 0.00 47 I 8.53 4.36 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.94 0.00 0.00 48 A 7.90 4.64 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 0.00 0.00 49 I 7.82 4.70 1.82 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 1.55 0.73 0.92 0.00 0.00 50 R 8.67 4.10 0.00 2.10 1.70 0.00 3.42 0.00 0.00 3.61 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.81 0.00 51 N 9.73 4.27 0.00 2.95 2.96 0.00 0.00 6.60 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 52 R 8.16 4.57 0.00 2.02 1.92 0.00 3.48 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 53 G 8.09 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.91 3.99 0.00 1.53 1.56 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.79 4.59 0.00 3.34 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.37 4.56 0.00 3.75 3.78 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 57 A 8.55 5.65 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 58 F 8.88 4.67 0.00 3.26 3.18 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 0.00 0.00 0.00 0.00 59 T 8.08 3.22 4.31 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 1.24 0.00 0.00 60 V 7.67 4.76 2.24 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 1.41 0.00 0.00 1.11 0.00 0.00 61 R 8.81 5.40 0.00 1.79 1.82 0.00 3.41 0.00 0.00 3.41 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 62 K 8.26 3.94 0.00 1.44 1.63 0.00 0.76 0.00 0.00 0.87 0.00 0.00 2.55 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.09 1.18 7.81 63 I 7.71 3.38 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.89 0.00 0.00 64 S 7.61 4.51 0.00 3.83 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 65 N 9.14 4.58 0.00 2.82 2.77 0.00 0.00 6.73 8.54 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 66 G 8.27 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 4.47 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 68 G 8.86 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 0.00 0.00 0.00 69 V 8.23 4.83 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 0.79 0.00 0.00 1.10 0.00 0.00 70 E 8.55 5.72 0.00 1.75 1.72 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 2.20 2.14 0.00 71 R 8.06 4.02 0.00 0.92 0.66 0.00 2.61 0.00 0.00 2.44 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 72 V 7.78 3.89 2.04 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 0.70 0.00 0.00 0.83 0.00 0.00 73 F 7.99 4.39 0.00 2.54 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 5.19 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.47 5.94 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 75 T 6.89 2.51 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 1.03 0.00 0.00 76 H 8.43 4.29 0.00 3.13 3.28 0.00 5.72 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 77 S 7.29 4.19 0.00 3.79 3.68 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 78 P 0.00 4.29 0.00 2.38 2.33 0.00 3.72 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 2.19 2.21 0.00 79 V 8.14 3.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 80 V 7.73 3.18 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 0.52 0.00 0.00 0.58 0.00 0.00 81 D 7.87 3.58 0.00 1.58 1.79 0.00 0.00 0.00 0.00 0.00 0.00 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 5.81 4.66 0.00 3.78 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.68 4.14 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.10 0.85 0.00 0.00 84 S 8.25 4.93 0.00 3.97 3.81 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 0.00 0.00 0.00 0.00 85 V 8.13 3.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 86 K 8.36 3.95 0.00 1.93 1.78 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 87 R 7.66 4.71 0.00 1.83 1.72 0.00 3.16 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 88 R 8.17 5.07 0.00 2.02 2.04 0.00 3.14 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 89 G 8.34 4.63 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 0.00 0.00 0.00 90 A 8.75 4.47 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 91 V 8.20 4.01 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 0.94 0.00 0.00 0.97 0.00 0.00 92 R 8.86 3.69 0.00 1.98 2.00 0.00 3.30 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 93 K 7.23 4.24 0.00 1.70 1.68 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.42 1.48 7.81 94 A 8.65 4.24 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 95 K 7.49 4.60 0.00 1.26 0.74 0.00 1.53 0.00 0.00 0.61 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.66 0.85 7.81 96 L 8.06 4.52 0.00 1.63 1.27 0.96 0.94 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 97 Y 7.55 4.46 0.00 3.07 2.92 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 98 Y 8.24 4.18 0.00 3.13 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 99 L 6.25 3.86 0.00 0.92 1.47 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.97 3.87 0.00 2.15 1.69 0.00 3.34 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 101 E 8.62 4.40 0.00 1.99 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 2.32 2.39 0.00 102 R 7.66 4.26 0.00 1.82 1.89 0.00 3.71 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 103 T 7.79 3.40 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 0.00 104 G 8.41 3.71 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 0.00 0.00 0.00 105 K 8.24 3.92 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.36 7.81 106 A 7.86 4.19 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 0.00 107 A 7.39 4.39 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 0.00 108 R 8.04 3.85 0.00 1.87 1.92 0.00 3.11 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 109 I 8.11 4.47 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.92 0.00 0.00 110 K 8.78 4.07 0.00 1.79 1.80 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.52 7.81 111 E 8.94 3.98 0.00 1.95 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 2.28 2.39 0.00 112 R 8.85 3.85 0.00 1.84 1.89 0.00 3.46 0.00 0.00 3.15 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 113 L 7.59 3.49 0.00 1.85 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.35 4.58 0.00 2.73 2.68 0.00 0.00 7.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00