NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2257 8.1633 120.2784 54.7198 33.3102 174.2597 2 K 4.0516 8.4895 126.1646 56.1134 32.5088 175.7061 3 G 3.9640 8.6120 113.5920 44.7724 0.0000 172.0966 4 D 4.5802 8.4581 119.5855 54.3064 41.9652 177.0688 5 T 3.8650 8.8782 122.8151 66.8625 68.5492 176.6471 6 K 3.8523 8.1694 120.9331 59.1462 32.1934 178.8259 7 V 3.9079 8.6695 119.0407 66.1713 31.3960 177.9405 8 I 3.7283 7.7966 119.4405 64.6810 36.8878 178.1525 9 N 4.2799 8.2002 117.1300 56.3555 38.2838 177.1346 10 Y 4.0647 8.0643 118.1118 61.1064 38.0189 178.3859 11 L 3.9332 8.6866 120.2205 58.1683 41.7114 179.5414 12 N 4.3404 8.5185 116.5534 55.9315 38.3912 177.5178 13 K 3.8614 8.2154 121.4512 59.3716 32.3326 178.8451 14 L 3.7936 8.1283 119.6514 57.6861 41.4167 179.0138 15 L 3.9378 7.9490 120.5719 58.3136 41.9044 179.2812 16 G 3.6002 8.1211 105.4877 47.8346 0.0000 175.3892 17 N 4.3495 8.0251 118.8019 56.1897 38.6049 177.3119 18 E 4.0891 8.3247 119.9212 59.6032 29.1457 179.5252 19 L 4.2937 8.2722 118.8298 57.3844 41.5364 180.0261 20 V 3.6478 7.7386 112.2673 64.1913 31.4452 178.1322 21 A 3.8550 8.1193 120.5625 55.2276 18.1922 179.5384 22 I 3.7584 8.2591 118.5266 64.8690 37.1986 178.4780 23 N 4.4016 7.8207 115.8154 56.4329 38.4565 177.4331 24 Q 3.8466 8.4030 121.3695 59.2383 29.0876 177.9299 25 Y 4.3323 8.2364 118.0303 60.9113 37.9924 177.7254 26 F 3.7986 8.4853 121.6461 61.1218 39.4435 176.8489 27 L 3.9284 8.2460 119.8893 58.5118 41.8918 178.3422 28 H 3.7653 8.1152 115.8079 58.8818 28.6034 177.0746 29 A 4.1349 8.3527 122.5690 55.8546 18.1087 180.0345 30 R 3.7612 7.7611 115.4029 58.7542 30.0741 179.3544 31 M 3.3969 7.8524 119.4247 58.1726 31.8918 178.5317 32 F 4.6043 7.6417 118.2307 60.5041 39.0636 177.7152 33 K 3.9429 8.3063 119.3816 59.4743 31.8272 178.0252 34 N 4.2275 7.8726 116.1068 56.7968 38.9159 176.2841 35 W 4.7601 7.8687 116.6359 57.5117 29.2956 177.2825 36 G 4.0226 8.2985 107.9172 45.7939 0.0000 175.1757 37 L 4.4852 8.0356 121.7842 53.2162 38.0192 177.1562 38 K 3.8559 7.9660 122.6318 59.8284 32.5744 177.5675 39 R 3.9242 8.2903 119.0831 59.2842 29.9683 178.4423 40 L 4.1430 7.7779 118.3299 57.2841 41.6179 178.7681 41 N 4.4321 8.1040 116.9359 56.7372 38.9621 176.5229 42 D 4.3230 7.9947 120.2713 57.4312 40.9840 179.1254 43 V 3.3236 7.6207 118.2948 66.0889 31.5012 177.9526 44 E 3.7443 8.3371 118.4672 59.2740 29.2768 178.5904 45 Y 3.9175 8.1106 119.6841 61.2264 38.8786 178.1748 46 H 4.2088 8.2415 116.3809 58.2988 28.6795 177.5858 47 E 3.6824 7.7810 120.9170 58.6419 29.1660 178.7516 48 S 4.0970 8.0099 113.7795 61.5912 62.3715 176.2516 49 I 3.5491 7.2788 122.1425 64.4698 36.8375 177.8396 50 D 4.2774 7.7980 119.4945 57.7858 40.6441 179.1584 51 E 4.1931 8.3167 118.6236 59.4343 29.3745 179.3467 52 M 4.0608 8.1524 119.0410 58.3120 31.9980 178.8108 53 K 3.9401 8.1883 118.7147 59.6908 32.1729 179.1058 54 H 4.0936 8.2330 116.1623 58.8058 28.6242 177.5402 55 A 4.2510 8.3140 122.7379 55.3910 18.1750 178.9912 56 D 4.3111 8.2615 116.4174 57.7045 41.2436 178.7998 57 R 3.8545 7.9123 118.3401 59.4291 30.0242 178.5515 58 Y 4.3179 7.7915 116.4360 61.3054 37.8979 178.9164 59 I 3.7824 8.2788 120.9525 64.6226 37.2263 178.4708 60 E 4.0622 8.4864 119.4622 59.0337 29.2342 179.5097 61 R 4.0045 8.1105 118.9802 59.5384 30.2181 178.2944 62 I 3.7439 8.4371 119.9529 64.7011 37.1715 178.3338 63 L 4.0266 8.1452 119.4861 57.7466 41.2112 179.4541 64 F 4.3687 8.1492 119.5992 61.2804 39.7454 176.6491 65 L 4.3253 8.3179 117.3068 54.0107 40.9617 177.1432 66 E 3.7419 7.9906 117.4760 57.4737 27.2103 174.4402 67 G 3.9886 8.1901 108.5906 43.9620 0.0000 173.4793 68 L 4.5294 8.0422 119.1514 52.0393 42.1067 175.1743 69 P 4.3781 0.0000 0.0000 62.5832 31.7628 175.9216 70 N 4.7127 9.5415 122.1831 52.4127 38.7414 173.8824 71 L 4.6035 8.2984 124.2316 54.5567 42.3808 177.5826 72 Q 4.1115 8.6246 122.3360 58.2947 29.3012 175.9760 73 D 4.6928 8.0359 116.6609 52.8483 42.0145 175.2981 74 L 4.5808 8.2601 125.1217 52.7328 44.0821 176.5912 75 G 3.8051 8.4617 115.4514 44.8682 0.0000 171.7046 76 K 4.1125 8.3136 120.6954 55.6913 32.4641 176.6417 77 L 4.0869 8.3847 126.8703 54.4066 42.2576 176.0912 78 N 4.8205 8.6825 121.6673 51.9849 39.8736 174.2372 79 I 3.8882 8.5051 126.5963 63.9560 37.7793 177.9355 80 G 4.3588 8.1699 103.0512 45.4921 0.0000 172.8639 81 E 4.7313 8.7609 117.5669 56.0246 31.1842 176.0758 82 D 4.9200 7.6712 118.1338 50.3234 43.9840 175.8948 83 V 4.0304 8.5611 119.3961 66.5907 31.2978 177.6346 84 E 3.8362 8.1680 117.9589 59.4489 29.4525 178.0641 85 E 3.9786 8.4944 119.5123 59.5197 29.5925 178.6828 86 M 4.1185 8.3034 117.0238 58.1175 31.5274 178.4889 87 L 4.1532 8.4863 120.5611 57.7298 41.8356 179.5447 88 R 3.9074 8.4561 118.9530 59.2976 29.9518 178.5914 89 S 4.1179 8.1152 113.2381 61.2924 62.3997 175.6931 90 D 4.2215 8.2021 121.6893 57.2846 40.5188 178.4722 91 L 4.0042 8.2120 120.5345 58.3615 42.0536 178.9819 92 A 3.9900 8.0760 120.5516 54.9511 18.2610 179.3993 93 L 3.8936 7.8425 119.0292 58.2509 42.0679 179.1302 94 E 4.0495 8.4098 118.5886 59.4934 29.5919 179.1982 95 L 4.0191 8.2087 119.2303 58.1075 41.7095 179.4633 96 D 4.5173 8.4930 118.9965 57.2059 40.6414 179.0844 97 G 3.6283 8.3416 106.2279 47.6257 0.0000 175.7066 98 A 4.0192 8.3749 123.4626 54.6655 18.4751 179.3515 99 K 3.8000 7.9669 117.8946 60.0379 32.2843 178.5055 100 N 4.3760 8.1344 116.3490 56.4318 38.4800 177.3895 101 L 3.9950 8.1259 120.3242 57.9428 41.6315 179.6953 102 R 3.9202 8.3634 118.3724 59.2452 30.0277 178.8179 103 E 3.8691 8.0788 118.3087 59.2385 29.6450 178.7423 104 A 2.8447 7.8050 120.7928 54.7130 18.3457 179.7261 105 I 3.7339 7.8652 118.5884 64.4304 36.9557 178.8665 106 G 3.6035 7.5887 105.3903 47.8838 0.0000 174.8721 107 Y 4.0889 7.7165 121.1725 60.2195 38.8999 177.2231 108 A 3.7899 8.2521 122.2088 55.4510 18.5351 179.1025 109 D 4.0822 7.9179 116.3706 57.2401 41.0776 178.2469 110 S 4.2129 7.4799 113.0058 59.8177 63.3865 175.6829 111 V 3.9884 6.8411 114.1132 60.7527 31.6049 175.5149 112 H 2.7873 6.9788 113.7821 56.7079 26.9569 176.4550 113 D 4.5273 7.3412 121.2208 53.5120 37.7263 176.2252 114 Y 4.2833 7.4472 121.0823 60.6419 38.3887 178.0912 115 V 3.7783 7.8492 113.1864 64.1268 31.8087 178.3811 116 S 4.1615 8.3385 115.0335 61.5874 62.6080 176.6307 117 R 3.8738 8.1327 121.2337 59.5119 29.8330 177.9339 118 D 4.3110 8.4481 118.0225 57.6924 41.3644 177.7421 119 M 3.9732 8.2394 118.7419 59.1129 32.0773 178.1463 120 M 4.1305 8.2325 118.8204 58.3883 32.1570 178.7681 121 I 3.7354 8.1357 120.3756 64.3087 37.3244 178.3180 122 E 3.9630 8.1718 119.4402 59.4488 29.3153 179.4244 123 I 3.5461 7.5578 119.4992 64.2359 37.0635 178.1295 124 L 3.9494 8.2324 121.5173 58.2369 42.0107 178.8752 125 R 3.8763 8.0872 118.5064 59.7201 29.9749 178.2395 126 D 4.3560 7.9764 118.3431 57.3429 40.7740 178.6372 127 E 3.9996 8.2335 119.2482 59.2918 29.3745 178.9830 128 E 4.1328 8.6243 119.9250 59.0175 29.6787 178.9476 129 G 3.7235 7.9873 105.4402 48.2718 0.0000 175.2066 130 H 4.4096 8.1713 118.9004 58.6982 28.6884 177.8158 131 I 3.8069 8.3754 121.9183 64.5515 36.9732 177.7611 132 D 4.3874 8.4720 118.9817 57.2329 41.0171 178.3168 133 W 4.1175 8.3969 128.6446 60.4291 30.7245 177.8652 134 L 3.7601 8.4987 119.1832 57.9337 41.1458 179.3586 135 E 3.9092 8.4870 118.6695 59.6956 29.3141 179.6711 136 T 3.7872 7.9204 115.5879 66.5614 68.5339 176.4527 137 E 3.7546 7.6142 120.3208 59.4736 29.3109 179.4045 138 L 3.7762 7.8114 118.9449 57.9857 41.5569 179.4966 139 D 4.3817 8.1201 118.6785 57.2260 40.6514 178.6672 140 L 3.9610 8.1967 119.9477 57.8477 41.5723 179.5536 141 I 3.4205 7.4252 119.6647 64.4437 36.7341 178.5446 142 Q 3.9360 7.3515 116.2027 58.8211 28.6503 178.5522 143 K 4.1301 8.1524 118.9430 59.0820 32.2691 178.5371 144 M 4.3763 8.3731 114.8001 54.1243 32.4265 177.4005 145 G 4.0893 7.5974 105.0263 45.8363 0.0000 174.4245 146 L 3.9634 8.3683 120.7439 58.0120 42.1713 179.2109 147 Q 3.9915 8.0374 117.4485 59.2832 28.7918 178.4491 148 N 4.3418 8.1921 116.7982 56.4291 38.3504 176.6332 149 Y 3.9244 7.8733 119.9247 60.6958 39.1472 177.8711 150 L 4.0941 8.3769 120.2249 57.9487 41.6034 179.2907 151 Q 3.8999 8.1902 119.1537 59.0543 28.7399 177.8539 152 A 4.0950 7.6463 119.8954 53.6322 18.6120 178.2475 153 Q 4.3277 7.8504 115.9496 55.6125 29.1884 177.5852 154 I 3.8835 7.3639 121.9011 63.3836 37.4271 176.6270 155 R 4.6516 7.5512 117.9946 53.7112 32.3145 175.6256 156 E 4.1273 8.7250 118.8705 56.6680 29.5876 176.6530 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 8.16 4.23 0.00 1.51 1.77 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 2 K 8.49 4.05 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.61 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 4 D 8.46 4.58 0.00 2.77 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 5 T 8.88 3.86 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.71 1.96 0.00 1.42 0.00 0.00 0.97 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.02 7.81 7 V 8.67 3.91 2.34 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 1.12 0.00 0.00 1.16 0.00 0.00 8 I 7.80 3.73 2.05 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 1.55 0.68 0.92 0.00 0.00 9 N 8.20 4.28 0.00 2.49 2.69 0.00 0.00 7.08 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 10 Y 8.06 4.06 0.00 3.30 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 11 L 8.69 3.93 0.00 2.03 1.80 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.52 4.34 0.00 2.79 2.82 0.00 0.00 6.70 7.73 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 13 K 8.22 3.86 0.00 1.81 1.98 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.13 3.79 0.00 1.00 1.10 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.95 3.94 0.00 1.68 1.83 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.12 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 17 N 8.03 4.35 0.00 2.97 2.91 0.00 0.00 7.04 7.82 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 18 E 8.32 4.09 0.00 2.25 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 0.00 2.74 2.89 0.00 19 L 8.27 4.29 0.00 1.66 1.73 0.94 1.10 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 20 V 7.74 3.65 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 0.82 0.00 0.00 0.95 0.00 0.00 21 A 8.12 3.85 1.45 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 0.00 0.00 0.00 22 I 8.26 3.76 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.90 0.00 0.00 23 N 7.82 4.40 0.00 2.81 2.86 0.00 0.00 6.74 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 24 Q 8.40 3.85 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 25 Y 8.24 4.33 0.00 3.22 2.86 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 0.00 26 F 8.49 3.80 0.00 3.41 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 27 L 8.25 3.93 0.00 1.96 1.58 0.89 0.94 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 28 H 8.12 3.77 0.00 3.55 3.23 0.00 5.72 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 29 A 8.35 4.13 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 30 R 7.76 3.76 0.00 1.71 1.87 0.00 3.23 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.58 0.00 31 M 7.85 3.40 0.00 0.89 1.63 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.11 0.00 32 F 7.64 4.60 0.00 3.29 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 33 K 8.31 3.94 0.00 1.97 1.87 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.87 4.23 0.00 2.67 2.69 0.00 0.00 7.35 8.25 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 35 W 7.87 4.76 0.00 3.75 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 36 G 8.30 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 0.00 0.00 0.00 37 L 8.04 4.49 0.00 2.21 1.69 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.86 0.00 1.99 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.29 3.92 0.00 2.01 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.78 4.14 0.00 1.70 1.13 1.10 0.32 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 41 N 8.10 4.43 0.00 3.11 2.99 0.00 0.00 7.10 9.28 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 42 D 7.99 4.32 0.00 2.88 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 43 V 7.62 3.32 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 -0.56 0.00 0.00 0.74 0.00 0.00 44 E 8.34 3.74 0.00 2.19 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 2.64 3.11 0.00 45 Y 8.11 3.92 0.00 2.96 3.03 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 46 H 8.24 4.21 0.00 3.23 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.78 3.68 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 1.93 2.03 0.00 48 S 8.01 4.10 0.00 3.96 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 49 I 7.28 3.55 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.85 0.00 0.00 50 D 7.80 4.28 0.00 2.83 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 51 E 8.32 4.19 0.00 2.17 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 2.69 2.79 0.00 52 M 8.15 4.06 0.00 2.04 2.23 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 2.77 2.55 0.00 53 K 8.19 3.94 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.23 4.09 0.00 3.57 3.48 0.00 5.65 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 55 A 8.31 4.25 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.31 0.00 2.92 2.86 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 0.00 57 R 7.91 3.85 0.00 1.81 1.75 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 58 Y 7.79 4.32 0.00 3.25 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 59 I 8.28 3.78 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 0.95 0.00 0.00 60 E 8.49 4.06 0.00 2.03 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 2.35 2.64 0.00 61 R 8.11 4.00 0.00 2.15 2.21 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.44 3.74 1.94 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 1.59 0.80 0.98 0.00 0.00 63 L 8.15 4.03 0.00 2.10 1.80 0.99 0.95 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 64 F 8.15 4.37 0.00 3.02 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 65 L 8.32 4.33 0.00 1.68 1.62 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.74 0.00 2.05 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 2.17 2.28 0.00 67 G 8.19 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 68 L 8.04 4.53 0.00 1.62 1.63 0.92 0.98 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 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 2.06 2.12 0.00 70 N 9.54 4.71 0.00 2.59 2.82 0.00 0.00 7.10 7.91 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 71 L 8.30 4.60 0.00 1.64 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.62 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.04 4.69 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 74 L 8.26 4.58 0.00 1.52 1.51 0.91 1.08 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 75 G 8.46 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 0.00 0.00 0.00 76 K 8.31 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.38 4.09 0.00 1.64 1.56 0.90 0.97 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 78 N 8.68 4.82 0.00 2.63 2.70 0.00 0.00 7.23 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 79 I 8.51 3.89 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.94 0.00 0.00 80 G 8.17 4.36 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 0.00 81 E 8.76 4.73 0.00 2.00 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 2.28 2.31 0.00 82 D 7.67 4.92 0.00 2.77 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 83 V 8.56 4.03 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 1.23 0.00 0.00 1.24 0.00 0.00 84 E 8.17 3.84 0.00 2.02 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 2.32 2.26 0.00 85 E 8.49 3.98 0.00 2.25 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 0.00 2.35 2.36 0.00 86 M 8.30 4.12 0.00 2.35 1.78 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.95 0.00 87 L 8.49 4.15 0.00 2.00 1.78 1.23 0.62 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 88 R 8.46 3.91 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.12 4.12 0.00 4.07 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 90 D 8.20 4.22 0.00 3.12 2.79 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 91 L 8.21 4.00 0.00 1.82 1.90 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.08 3.99 1.34 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 0.00 0.00 93 L 7.84 3.89 0.00 1.89 1.81 0.90 0.81 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 94 E 8.41 4.05 0.00 2.28 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 2.61 2.72 0.00 95 L 8.21 4.02 0.00 2.03 1.75 0.96 1.41 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 96 D 8.49 4.52 0.00 2.70 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 97 G 8.34 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 98 A 8.37 4.02 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 99 K 7.97 3.80 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.13 4.38 0.00 2.99 2.92 0.00 0.00 7.14 6.75 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 0.00 101 L 8.13 4.00 0.00 2.00 1.74 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.36 3.92 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.08 3.87 0.00 2.07 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 2.38 2.38 0.00 104 A 7.81 2.84 1.03 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 0.00 105 I 7.87 3.73 2.03 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 1.46 0.94 0.91 0.00 0.00 106 G 7.59 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 0.00 107 Y 7.72 4.09 0.00 3.18 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 0.00 108 A 8.25 3.79 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 0.00 109 D 7.92 4.08 0.00 2.84 2.80 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 0.00 0.00 0.00 110 S 7.48 4.21 0.00 3.96 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 0.00 111 V 6.84 3.99 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 0.60 0.00 0.00 0.66 0.00 0.00 112 H 6.98 2.79 0.00 3.19 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.34 4.53 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.45 4.28 0.00 3.08 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 0.00 115 V 7.85 3.78 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 0.91 0.00 0.00 0.97 0.00 0.00 116 S 8.34 4.16 0.00 4.16 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 0.00 117 R 8.13 3.87 0.00 1.95 2.20 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.45 4.31 0.00 2.94 2.81 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 0.00 119 M 8.24 3.97 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.23 4.13 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.78 0.00 121 I 8.14 3.74 2.00 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 1.53 1.00 0.91 0.00 0.00 122 E 8.17 3.96 0.00 2.13 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 2.34 0.00 123 I 7.56 3.55 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.71 0.00 0.00 124 L 8.23 3.95 0.00 1.83 1.85 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.09 3.88 0.00 2.03 2.15 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 7.98 4.36 0.00 3.02 2.66 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 0.00 127 E 8.23 4.00 0.00 2.16 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 0.00 2.58 2.53 0.00 128 E 8.62 4.13 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 2.34 2.36 0.00 129 G 7.99 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 0.00 130 H 8.17 4.41 0.00 3.66 3.59 0.00 5.65 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 0.00 131 I 8.38 3.81 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 1.50 0.95 0.97 0.00 0.00 132 D 8.47 4.39 0.00 2.96 2.95 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 0.00 133 W 8.40 4.12 0.00 3.56 3.49 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 0.00 0.00 0.00 0.00 134 L 8.50 3.76 0.00 1.96 1.75 1.29 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.49 3.91 0.00 2.18 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 2.33 2.48 0.00 136 T 7.92 3.79 4.20 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 1.17 0.00 0.00 137 E 7.61 3.75 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.81 3.78 0.00 1.70 1.62 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.12 4.38 0.00 2.78 2.66 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 0.00 140 L 8.20 3.96 0.00 1.88 1.85 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.43 3.42 1.71 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 -0.31 0.69 0.00 0.00 142 Q 7.35 3.94 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.15 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.37 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 145 G 7.60 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 0.00 146 L 8.37 3.96 0.00 1.74 1.66 0.93 0.68 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 0.00 147 Q 8.04 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.19 4.34 0.00 2.97 2.89 0.00 0.00 6.65 7.48 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 0.00 149 Y 7.87 3.92 0.00 3.05 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 0.00 150 L 8.38 4.09 0.00 2.03 1.71 1.08 0.91 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 0.00 151 Q 8.19 3.90 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.65 4.09 1.21 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 0.00 0.00 153 Q 7.85 4.33 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 154 I 7.36 3.88 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.10 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 2.26 2.29 0.00