NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3901 8.3044 120.3244 54.8987 33.9086 174.5500 2 H 4.5675 8.1100 119.6783 54.0268 30.1861 171.9532 3 L 4.8098 7.6736 126.6701 52.5195 45.7632 176.8662 4 T 4.2020 8.8914 112.9086 60.5125 71.1286 174.2154 5 P 4.1926 0.0000 0.0000 65.6747 31.3095 178.7440 6 E 3.9292 8.1046 116.8268 59.5151 29.4647 179.1712 7 E 3.8859 7.8315 118.5562 59.1978 29.5267 179.3013 8 K 3.8190 8.0607 119.6077 59.5848 32.2750 178.9165 9 S 4.0826 7.9565 114.9814 61.6306 62.3019 176.5534 10 A 4.0168 8.0439 123.3555 55.0447 18.0884 179.8309 11 V 3.2978 7.7455 116.5830 66.5676 31.7487 178.4813 12 T 3.9888 8.0536 115.2299 66.5957 68.0295 176.6504 13 A 4.0930 7.9742 121.9996 54.8204 18.6245 179.2470 14 L 3.9398 7.8254 118.3331 58.0874 42.3695 178.9931 15 W 4.3026 8.7346 128.3771 60.3010 30.3431 177.9341 16 G 3.8155 8.0181 104.7683 47.2936 0.0000 174.7942 17 K 4.4075 7.9261 117.9278 55.4466 32.8551 176.8268 18 V 3.6539 6.7254 120.0598 62.0057 32.0805 175.3970 19 N 4.4837 8.3499 125.5887 52.4155 39.3604 175.3314 20 V 3.4663 8.2234 128.2874 66.3391 31.6640 177.4522 21 D 4.3091 8.0835 117.8441 57.2223 40.7991 178.2090 22 E 3.8389 8.0509 119.7474 59.3939 29.7082 179.0693 23 V 3.5889 7.9014 118.5309 65.7112 31.5099 178.1298 24 G 3.7449 8.3364 105.8015 47.8628 0.0000 175.8785 25 G 3.6309 8.1015 108.5723 47.3170 0.0000 175.4682 26 E 3.9175 8.1717 121.3314 58.8815 29.7360 178.5818 27 A 3.9435 8.3754 121.2860 55.5254 18.3877 179.0678 28 Y 3.8270 8.2251 118.1387 60.4475 38.9329 178.2183 29 G 3.5996 8.0871 106.4822 47.9050 0.0000 176.0479 30 R 3.9301 8.2258 120.6421 58.3096 30.0463 178.7616 31 L 3.8937 7.6188 120.5443 58.3752 42.1520 179.2254 32 L 4.0290 7.5029 119.6476 56.8839 41.2251 179.7843 33 V 3.5163 7.1837 117.2307 65.8752 31.6541 177.9420 34 V 3.5983 7.6561 116.8240 63.9395 32.8377 175.5267 35 Y 3.8882 7.0238 116.2259 54.0415 37.8167 174.1330 36 P 4.8279 0.0000 0.0000 64.0724 31.7891 177.8658 37 W 4.5086 7.7033 116.1259 58.5282 28.5799 177.6933 38 T 4.2106 7.6409 111.0098 64.0445 68.3159 175.8481 39 Q 4.5263 8.0940 121.2083 57.6030 28.4696 178.0372 40 R 3.8742 7.6306 117.0095 58.6926 29.4341 178.1024 41 F 4.2640 7.1120 115.5154 58.1293 39.2201 175.8979 42 F 4.6839 7.6293 118.1537 56.6413 39.5182 177.2946 43 E 4.0024 8.5498 122.9885 59.5681 29.3085 178.4467 44 S 4.5533 8.0668 110.3211 59.1255 63.4572 174.6044 45 F 4.7168 8.7404 120.1967 58.4908 40.0385 176.6721 46 G 3.9913 8.0757 106.5989 44.6300 0.0000 175.0615 47 D 4.5154 8.6039 127.1607 54.1813 40.7821 175.3220 48 L 4.8979 8.3437 125.2935 54.3259 43.3865 177.9413 49 S 4.2600 8.1475 116.1973 60.7610 63.1795 174.8820 50 T 4.6962 7.4420 109.9010 58.2267 72.7595 172.9170 51 P 4.2109 0.0000 0.0000 65.8827 31.4648 178.6149 52 D 4.3241 8.1013 116.8204 57.4138 40.5770 178.6098 53 A 4.0031 7.6204 119.4135 55.0323 18.7522 179.6077 54 V 3.6971 7.9010 116.6411 66.6300 31.5054 178.3525 55 M 4.2936 8.4653 117.2290 57.2185 31.7285 178.0021 56 G 4.0925 7.4642 103.3115 43.2558 0.0000 173.2022 57 N 4.4897 7.6717 120.5100 52.6862 40.0705 174.1509 58 P 4.2333 0.0000 0.0000 65.4991 31.6997 178.9524 59 K 3.5906 8.2630 117.5500 58.8738 31.7186 179.6843 60 V 3.7128 7.6039 118.3300 65.9686 31.6152 178.0974 61 K 3.9558 8.0060 118.0840 59.3465 31.7956 179.2585 62 A 3.9353 8.1110 121.2976 55.0083 18.2094 179.5096 63 Q 3.8877 7.9465 118.0271 59.1439 29.1417 178.5588 64 G 3.4224 7.7534 106.7365 47.5723 0.0000 175.0381 65 K 3.8142 7.9886 122.1290 59.4648 31.9854 178.5158 66 K 3.8813 8.1467 118.3014 59.6297 31.9828 179.5445 67 V 3.6765 7.8896 118.1211 66.2135 31.5990 178.1758 68 L 4.2987 8.2564 118.7839 57.5663 41.3739 179.8402 69 G 3.7227 8.2623 105.7188 47.9032 0.0000 175.7289 70 A 4.3274 8.0461 123.6352 54.5229 18.1383 179.4461 71 F 4.1429 8.4852 118.9616 61.6930 39.7809 176.8653 72 S 4.1966 9.0227 112.9990 61.7222 62.2324 175.8914 73 D 4.4965 8.4140 121.6224 57.2934 40.4245 179.0151 74 G 3.5730 7.9336 106.0263 47.5940 0.0000 175.6750 75 L 3.6758 7.2296 119.7622 57.4200 41.5443 179.0690 76 A 4.0600 7.7101 119.9248 53.7932 18.8065 177.4090 77 H 4.8930 7.9479 115.6841 55.1030 29.4089 176.3560 78 L 3.9193 7.9252 120.3956 57.4858 41.7286 178.3533 79 D 4.5982 7.9090 116.1909 55.2826 41.9681 176.4700 80 N 5.0297 8.1702 118.1394 51.4458 39.9855 174.4987 81 L 4.0953 7.9530 123.3060 57.6649 42.4378 179.1296 82 K 4.0847 8.1177 118.1045 59.6016 31.8246 179.5112 83 G 3.7084 7.9498 104.2011 47.8331 0.0000 175.5410 84 T 3.8534 7.6861 117.3240 65.8485 68.6261 175.8813 85 F 4.6828 8.0837 117.2378 57.2746 39.2066 177.5446 86 A 4.0722 7.6173 122.4626 55.6186 18.1470 180.6344 87 T 3.8355 7.8219 113.6738 66.8891 68.5952 176.9507 88 L 4.1389 7.9724 120.3537 57.4380 41.6924 179.2798 89 S 4.3861 8.3091 114.9004 60.8918 62.3765 176.0123 90 E 3.8451 8.1102 121.0928 59.3776 29.2489 178.9392 91 L 3.9241 7.9936 120.2144 58.7793 42.0812 178.8586 92 H 4.1600 8.5896 116.1813 58.7889 28.3507 177.3928 93 C 3.6240 7.7004 120.4722 62.4745 31.1795 175.4296 94 D 4.4022 8.2606 119.7008 56.4540 40.5396 177.4356 95 K 4.3110 7.7625 116.5115 57.2547 33.8123 177.1925 96 L 4.1910 7.8365 116.9612 54.6768 42.4293 176.1050 97 H 4.0517 7.0954 114.5297 56.6393 26.4603 175.2717 98 V 3.7685 7.8606 118.6637 61.0636 32.3509 174.3714 99 D 4.2726 9.0406 127.1232 54.1181 41.1933 175.1969 100 P 3.1422 0.0000 0.0000 65.0857 30.8792 177.6906 101 E 3.8415 8.0230 118.7734 58.8324 29.4068 178.2662 102 N 4.2864 8.1258 117.0813 56.1735 38.4515 177.2163 103 F 4.5036 7.5075 119.5870 60.5337 38.9183 177.9366 104 R 4.0104 7.9077 117.4297 59.0038 29.9630 178.8682 105 L 3.7902 7.6072 119.0110 57.6704 41.5162 179.2736 106 L 4.0377 7.9787 120.4414 57.9694 41.9821 179.1391 107 G 3.6911 8.0487 105.7461 48.0982 0.0000 175.4625 108 N 4.4896 8.2745 119.0455 55.8684 38.5118 177.8082 109 V 3.6445 7.9913 119.8948 65.7771 31.6153 177.8236 110 L 3.9022 8.2784 120.5934 58.0462 41.8958 179.2144 111 V 3.5721 7.7036 117.7726 66.1072 31.5295 177.6389 112 C 4.0247 8.0958 116.5082 63.0508 28.0162 176.4532 113 V 3.5595 7.8769 119.6241 65.8701 31.0284 178.0847 114 L 3.8434 7.8063 118.6260 57.4780 41.3318 179.3541 115 A 3.7852 7.2373 120.7262 55.0976 18.0761 179.0996 116 H 4.0744 7.9220 115.7350 59.6479 30.0303 176.7744 117 H 3.8924 7.8367 118.3396 59.1395 29.9928 176.7396 118 F 4.5844 8.5810 118.2475 56.9220 39.5215 177.1714 119 G 3.9019 8.7244 108.8480 46.5772 0.0000 176.6669 120 K 4.3001 8.8453 123.4073 58.0337 32.6239 177.4306 121 E 4.2236 7.9109 117.5179 57.7065 30.5064 177.2706 122 F 4.4742 8.0922 124.3932 57.4898 37.7169 174.5336 123 T 4.2224 7.3097 116.0035 60.1598 71.4441 173.4839 124 P 4.1676 0.0000 0.0000 65.6064 31.3192 177.2233 125 P 4.2000 0.0000 0.0000 65.3316 31.2419 178.9493 126 V 3.5443 7.3112 115.9602 65.7794 31.4319 177.6898 127 Q 3.6319 7.8212 119.4601 59.1950 28.7991 178.3573 128 A 4.0521 8.1680 121.4670 55.1528 18.4948 179.5190 129 A 3.8873 7.8772 118.7836 55.5353 18.4207 179.5463 130 Y 3.8360 8.2306 115.2570 61.0453 37.9943 178.7200 131 Q 4.1155 8.7934 119.6913 58.8495 28.8339 178.6570 132 K 3.9219 8.0330 119.5697 59.6146 32.0238 179.5542 133 V 3.5372 7.5716 117.9427 66.1342 31.4694 178.5926 134 V 3.7965 8.2271 112.0033 64.1787 31.3681 178.4643 135 A 4.1512 8.0874 120.5849 54.8593 18.1011 179.9715 136 G 3.4799 8.0485 104.3368 48.0593 0.0000 176.2220 137 V 3.3552 8.0248 121.3204 65.3270 31.4673 177.9567 138 A 3.9085 8.0018 120.6553 55.2220 18.0029 179.4110 139 N 4.3359 8.0933 113.9190 56.2324 38.9537 177.2310 140 A 4.1604 8.3134 122.6865 55.2517 18.6267 179.7655 141 L 3.8928 7.9934 117.3880 57.3428 41.5679 178.8134 142 A 4.5121 8.1251 119.2672 52.9177 18.5566 178.4329 143 H 4.0678 7.8005 117.0596 59.2443 29.8654 176.0129 144 K 4.4425 8.1886 115.2121 56.4064 31.9490 176.6294 145 Y 4.0167 8.0569 117.8800 58.4973 38.4021 175.7769 146 H 4.4103 8.3211 117.4818 56.2832 28.0839 173.4517 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 M 8.30 4.39 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 H 8.11 4.57 0.00 3.15 3.21 0.00 5.67 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 3 L 7.67 4.81 0.00 1.50 1.40 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.89 4.20 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 1.23 0.00 0.00 5 P 0.00 4.19 0.00 2.16 2.12 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 E 8.10 3.93 0.00 2.02 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 2.39 2.45 0.00 7 E 7.83 3.89 0.00 2.09 1.90 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 2.28 2.27 0.00 8 K 8.06 3.82 0.00 1.79 1.75 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.46 7.81 9 S 7.96 4.08 0.00 4.06 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 10 A 8.04 4.02 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 11 V 7.75 3.30 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 0.68 0.00 0.00 0.43 0.00 0.00 12 T 8.05 3.99 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 1.24 0.00 0.00 13 A 7.97 4.09 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 14 L 7.83 3.94 0.00 1.90 1.93 0.64 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.73 4.30 0.00 3.83 3.24 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 16 G 8.02 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 17 K 7.93 4.41 0.00 1.92 2.06 0.00 1.90 0.00 0.00 1.50 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.45 7.81 18 V 6.73 3.65 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 0.07 0.00 0.00 0.79 0.00 0.00 19 N 8.35 4.48 0.00 2.71 2.58 0.00 0.00 6.83 7.71 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 20 V 8.22 3.47 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 1.20 0.00 0.00 0.95 0.00 0.00 21 D 8.08 4.31 0.00 2.77 2.67 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 22 E 8.05 3.84 0.00 1.91 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 2.23 2.26 0.00 23 V 7.90 3.59 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 0.85 0.00 0.00 0.65 0.00 0.00 24 G 8.34 3.74 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 0.00 0.00 0.00 25 G 8.10 3.63 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 26 E 8.17 3.92 0.00 2.20 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 2.28 2.43 0.00 27 A 8.38 3.94 1.33 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 0.00 0.00 0.00 0.00 0.00 28 Y 8.23 3.83 0.00 3.30 2.98 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 29 G 8.09 3.60 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 0.00 0.00 0.00 30 R 8.23 3.93 0.00 2.00 1.90 0.00 3.08 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 31 L 7.62 3.89 0.00 1.64 1.49 0.84 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.50 4.03 0.00 1.83 1.67 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.18 3.52 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 0.70 0.00 0.00 0.96 0.00 0.00 34 V 7.66 3.60 1.61 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 -0.09 0.00 0.00 0.69 0.00 0.00 35 Y 7.02 3.89 0.00 2.43 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 36 P 0.00 4.83 0.00 2.33 2.31 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 37 W 7.70 4.51 0.00 3.57 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 38 T 7.64 4.21 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 1.02 0.00 0.00 39 Q 8.09 4.53 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 40 R 7.63 3.87 0.00 1.67 1.96 0.00 2.99 0.00 0.00 2.62 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 41 F 7.11 4.26 0.00 1.87 2.36 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 42 F 7.63 4.68 0.00 2.87 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 0.00 0.00 0.00 0.00 43 E 8.55 4.00 0.00 1.97 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 2.29 2.26 0.00 44 S 8.07 4.55 0.00 4.14 4.09 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 0.00 0.00 0.00 45 F 8.74 4.72 0.00 3.15 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 46 G 8.08 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 0.00 0.00 0.00 47 D 8.60 4.52 0.00 2.66 2.64 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 48 L 8.34 4.90 0.00 1.67 1.64 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.15 4.26 0.00 4.09 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 50 T 7.44 4.70 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 51 P 0.00 4.21 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 52 D 8.10 4.32 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 53 A 7.62 4.00 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 54 V 7.90 3.70 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 1.06 0.00 0.00 0.98 0.00 0.00 55 M 8.47 4.29 0.00 1.96 2.10 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 2.61 2.92 0.00 56 G 7.46 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.67 4.49 0.00 3.02 2.82 0.00 0.00 7.23 7.41 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 58 P 0.00 4.23 0.00 2.11 2.02 0.00 3.59 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 2.06 2.13 0.00 59 K 8.26 3.59 0.00 1.45 0.74 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.73 1.07 7.81 60 V 7.60 3.71 2.26 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 1.15 0.00 0.00 1.09 0.00 0.00 61 K 8.01 3.96 0.00 1.94 1.80 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.64 7.81 62 A 8.11 3.94 1.23 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 0.00 0.00 0.00 63 Q 7.95 3.89 0.00 2.34 2.08 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 1.77 1.48 0.00 64 G 7.75 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 65 K 7.99 3.81 0.00 2.06 1.87 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.49 7.81 66 K 8.15 3.88 0.00 1.94 1.88 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.47 7.81 67 V 7.89 3.68 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 1.29 0.00 0.00 1.00 0.00 0.00 68 L 8.26 4.30 0.00 2.02 1.89 1.25 0.79 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 69 G 8.26 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 0.00 0.00 0.00 70 A 8.05 4.33 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 71 F 8.49 4.14 0.00 3.15 3.39 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 72 S 9.02 4.20 0.00 4.61 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 0.00 73 D 8.41 4.50 0.00 2.70 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 74 G 7.93 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 75 L 7.23 3.68 0.00 1.46 1.48 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.71 4.06 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 77 H 7.95 4.89 0.00 3.11 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.93 3.92 0.00 1.54 1.66 0.77 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.91 4.60 0.00 2.64 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 80 N 8.17 5.03 0.00 2.66 2.60 0.00 0.00 7.08 6.80 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 81 L 7.95 4.10 0.00 1.76 1.80 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.12 4.08 0.00 1.74 1.79 0.00 1.55 0.00 0.00 1.39 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.45 7.81 83 G 7.95 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 84 T 7.69 3.85 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 0.66 0.00 0.00 85 F 8.08 4.68 0.00 3.21 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 86 A 7.62 4.07 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 87 T 7.82 3.84 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 88 L 7.97 4.14 0.00 1.89 1.88 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.31 4.39 0.00 4.17 4.12 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 90 E 8.11 3.85 0.00 2.26 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 2.32 2.46 0.00 91 L 7.99 3.92 0.00 1.77 1.89 0.90 0.94 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 92 H 8.59 4.16 0.00 3.68 3.76 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.70 3.62 0.00 1.23 2.35 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 94 D 8.26 4.40 0.00 2.66 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 95 K 7.76 4.31 0.00 1.75 1.79 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.34 7.81 96 L 7.84 4.19 0.00 1.70 1.60 0.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.10 4.05 0.00 3.39 3.46 0.00 5.64 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.86 3.77 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 0.30 0.00 0.00 0.48 0.00 0.00 99 D 9.04 4.27 0.00 2.80 2.85 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 0.00 100 P 0.00 3.14 0.00 2.00 1.76 0.00 3.49 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.12 0.00 101 E 8.02 3.84 0.00 2.06 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 2.37 0.00 102 N 8.13 4.29 0.00 2.56 2.75 0.00 0.00 6.84 8.02 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 0.00 103 F 7.51 4.50 0.00 3.03 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 0.00 104 R 7.91 4.01 0.00 2.02 1.96 0.00 3.24 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 105 L 7.61 3.79 0.00 1.62 1.32 0.67 -0.12 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 0.00 106 L 7.98 4.04 0.00 1.74 1.85 0.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.05 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 0.00 108 N 8.27 4.49 0.00 2.93 2.95 0.00 0.00 6.69 7.71 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 0.00 109 V 7.99 3.64 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 1.02 0.00 0.00 1.11 0.00 0.00 110 L 8.28 3.90 0.00 1.76 1.85 0.92 0.66 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 0.00 111 V 7.70 3.57 2.32 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 1.29 0.00 0.00 1.16 0.00 0.00 112 C 8.10 4.02 0.00 3.14 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 0.00 113 V 7.88 3.56 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 0.94 0.00 0.00 0.94 0.00 0.00 114 L 7.81 3.84 0.00 0.97 1.06 0.66 0.81 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 0.00 115 A 7.24 3.79 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 0.00 116 H 7.92 4.07 0.00 3.16 3.42 0.00 5.78 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 0.00 117 H 7.84 3.89 0.00 3.03 2.72 0.00 5.80 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 0.00 118 F 8.58 4.58 0.00 3.29 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 0.00 119 G 8.72 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 0.00 120 K 8.85 4.30 0.00 1.90 2.00 0.00 1.50 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 121 E 7.91 4.22 0.00 2.10 2.17 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 2.43 2.58 0.00 122 F 8.09 4.47 0.00 3.11 3.23 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 0.00 123 T 7.31 4.22 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 1.30 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.15 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.47 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 2.08 2.11 0.00 126 V 7.31 3.54 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 0.93 0.00 0.00 0.90 0.00 0.00 127 Q 7.82 3.63 0.00 1.77 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 128 A 8.17 4.05 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 A 7.88 3.89 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 0.00 130 Y 8.23 3.84 0.00 3.29 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 0.00 131 Q 8.79 4.12 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 132 K 8.03 3.92 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.57 3.54 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 1.00 0.00 0.00 0.75 0.00 0.00 134 V 8.23 3.80 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 0.94 0.00 0.00 1.15 0.00 0.00 135 A 8.09 4.15 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 0.00 136 G 8.05 3.48 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 0.00 0.00 0.00 137 V 8.02 3.36 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 0.62 0.00 0.00 0.71 0.00 0.00 138 A 8.00 3.91 1.48 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 0.00 0.00 139 N 8.09 4.34 0.00 2.94 2.90 0.00 0.00 7.03 6.69 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 0.00 140 A 8.31 4.16 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 0.00 141 L 7.99 3.89 0.00 1.05 0.75 0.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.13 4.51 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 0.00 143 H 7.80 4.07 0.00 3.38 3.52 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.19 4.44 0.00 1.84 1.83 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.67 7.81 145 Y 8.06 4.02 0.00 3.17 3.01 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 0.00 146 H 8.32 4.41 0.00 3.23 3.26 0.00 5.75 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