NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4135 8.3044 118.1946 54.8580 32.6147 174.0798 2 K 4.1215 8.1744 119.8846 54.0974 33.1978 174.4578 3 K 4.1583 9.2204 127.2156 56.1892 33.7718 175.5966 4 L 4.6828 8.3145 125.0413 53.0938 44.3134 175.9613 5 T 4.5649 7.7794 117.8100 61.8815 71.5725 174.3433 6 F 4.6262 8.4794 124.5107 54.8483 39.4690 172.4897 7 E 3.9264 8.3288 123.8662 55.8674 29.9560 176.4351 8 I 4.1352 8.4995 130.4537 61.4953 37.0474 175.9524 9 R 4.5930 8.6570 124.2222 56.4837 32.1003 173.5357 10 S 4.8318 7.7147 110.6030 55.1111 67.4473 172.9848 11 P 4.4426 0.0000 0.0000 66.0718 30.4601 178.6205 12 A 3.9336 7.8384 119.3888 55.4210 18.5883 178.7304 13 H 4.3839 7.8808 114.3275 59.1677 28.8033 177.7858 14 Q 3.9572 8.5706 121.7227 59.2857 28.6136 178.1878 15 Q 3.9712 8.3556 120.6959 59.0356 28.9296 178.0155 16 N 4.3075 7.9698 117.6195 56.1209 38.5944 177.0546 17 A 2.6358 7.5995 121.7140 54.7916 18.1190 179.5866 18 I 3.7165 7.6093 111.1635 63.8838 37.3576 177.7949 19 H 4.1878 7.7933 119.9562 58.7885 29.6513 176.7111 20 A 3.9496 7.7849 121.5945 55.4354 18.2657 179.5457 21 V 3.6844 8.1139 117.8877 66.7360 31.8658 178.5930 22 Q 4.2239 7.7346 121.9959 60.5151 27.7698 181.5938 23 Q 4.3483 8.0017 118.7130 57.3021 28.3042 178.7173 24 I 4.1479 6.9980 121.1072 61.6759 37.9378 175.6230 25 L 4.4245 8.1425 126.1049 52.5453 41.8752 174.3512 26 P 4.2883 0.0000 0.0000 63.2832 31.8384 176.2876 27 D 4.2868 8.1086 116.7125 53.3014 42.7503 173.5896 28 P 4.3427 0.0000 0.0000 65.9129 30.8926 177.7747 29 T 3.6715 7.5778 108.1570 64.5253 68.8934 175.1171 30 K 4.4957 7.7019 127.5194 51.0244 31.5957 176.2171 31 P 4.6107 0.0000 0.0000 62.1700 32.5569 176.8046 32 I 4.4403 7.9851 112.7102 59.1195 39.8195 174.8843 33 V 4.0740 8.1617 121.7051 61.3612 32.4569 175.5864 34 V 4.1224 8.2834 127.3783 61.4560 31.2854 173.7047 35 T 4.4659 8.2412 121.3109 60.1515 68.5627 174.1144 36 I 4.3752 8.0213 129.3206 60.5480 38.8966 174.9521 37 Q 4.5044 8.0069 120.6423 55.0263 31.7608 174.0738 38 E 4.2393 8.6690 124.7229 56.8812 30.2372 176.5575 39 R 4.6671 8.0788 118.7299 55.3647 34.3611 174.7320 40 N 4.5250 9.0740 122.0410 55.1943 39.7218 176.2222 41 R 4.2214 7.5195 115.5189 54.0497 30.6366 177.9288 42 S 4.1442 8.3390 118.0470 57.0257 64.4709 175.1241 43 L 4.0451 8.0628 125.9287 57.9269 41.8014 178.4302 44 D 4.4537 8.1453 118.2856 57.1506 41.1359 177.8472 45 Q 4.0787 8.1249 118.1523 59.3581 28.6591 178.5269 46 N 4.5422 8.0040 118.8029 57.5678 38.6063 177.9822 47 R 4.1443 7.9851 123.7539 62.1921 29.3308 181.4543 48 K 4.1659 8.2910 123.8843 59.6139 31.7584 181.1581 49 L 3.9072 7.9736 121.5951 58.0011 41.9292 179.1090 50 W 4.0944 8.5101 117.9756 58.9887 28.9658 178.3766 51 A 4.2410 7.8973 121.1781 54.9953 17.8610 179.3500 52 C 4.4824 8.2506 115.4211 63.0793 28.2323 175.8905 53 L 4.0664 8.1267 120.7116 58.0632 41.2187 180.0653 54 G 3.7816 8.2696 105.2565 47.9239 0.0000 175.4037 55 D 4.3676 8.2757 121.5704 57.1803 40.8591 179.0565 56 V 3.4109 8.1306 119.0429 65.7928 31.1886 177.7297 57 S 4.5822 8.2929 113.2554 61.9664 62.0650 176.6208 58 R 4.0419 8.3616 119.4698 58.9748 29.8728 178.3687 59 Q 4.5353 8.6699 116.8433 55.9950 29.6525 176.5124 60 V 4.3900 7.8638 113.3776 59.1853 33.6834 174.8026 61 E 3.7329 8.1613 122.6206 54.2671 31.0120 175.4130 62 W 4.8154 8.6250 133.0600 56.9514 30.9927 175.6660 63 H 3.7205 9.3446 125.5214 56.5483 25.3019 175.5824 64 G 3.9974 9.8605 106.8758 45.1574 0.0000 172.2622 65 R 4.7212 7.6447 114.7381 54.4302 32.5856 173.9644 66 W 4.9275 8.8604 119.3759 55.7519 30.3076 175.9903 67 L 4.7970 8.6132 122.6848 52.9156 43.7107 176.5464 68 D 5.0254 8.6509 122.7917 51.7757 42.1226 177.1855 69 A 4.3124 8.8805 121.2184 55.7186 18.1266 179.6918 70 E 4.2823 8.5483 116.2743 59.9841 29.6296 179.6084 71 S 4.1324 7.9902 113.7498 61.5056 62.8169 176.9131 72 W 3.9510 8.3707 121.5241 59.1552 28.6485 178.5641 73 K 3.9892 8.1795 120.0737 59.5725 31.4977 178.3975 74 C 4.0925 7.8616 116.8278 62.8887 27.8842 176.0201 75 V 3.5154 7.0530 117.9910 66.1577 31.2980 177.8661 76 F 4.3003 7.9822 117.1013 61.0192 38.7712 177.8898 77 T 3.8873 8.6461 115.5837 66.5411 67.9590 176.5607 78 A 4.1124 8.7379 122.9425 54.9766 18.4299 179.1602 79 A 4.1088 7.7858 118.0101 53.9982 18.4769 178.2745 80 L 4.4200 7.6394 115.7208 55.7473 43.0866 176.9256 81 K 4.6098 7.8386 116.2529 53.9665 34.6930 176.3172 82 Q 4.0660 8.7283 122.5633 56.3520 29.2181 176.5116 83 Q 4.2920 8.4480 121.2986 56.1088 29.5352 175.8037 84 D 4.7439 9.0234 123.3671 53.9442 42.6194 175.4951 85 V 5.0007 8.2415 120.4468 61.3729 34.4257 174.8900 86 V 4.7509 8.9490 125.1612 59.5553 35.2508 172.0944 87 P 4.5114 0.0000 0.0000 62.4667 31.8182 176.2439 88 N 4.5762 8.2849 122.1545 52.3565 38.1455 175.4942 89 L 4.0303 8.5225 118.3688 57.9043 41.7369 179.1135 90 A 3.9708 7.8850 119.6504 53.2891 18.4482 177.1822 91 G 3.7429 8.7239 103.8813 46.6602 0.0000 174.1876 92 N 4.8844 8.1969 111.7903 52.0352 39.5668 173.7893 93 G 4.0633 7.1719 105.1874 46.2289 0.0000 172.0711 94 F 5.5018 8.7849 117.3912 55.6103 43.5853 174.8463 95 V 4.4959 9.2089 119.7584 60.0899 34.1960 174.4998 96 V 4.6753 8.5588 124.9450 61.5261 32.9633 174.7167 97 I 4.5434 9.2499 129.4636 59.4125 40.0673 175.9844 98 G 4.3266 8.6670 113.9273 45.5827 0.0000 172.7939 99 Q 4.4375 8.3741 118.6182 54.8949 29.8200 176.6326 100 S 4.3680 8.4820 116.0845 58.2439 63.3734 175.4326 101 T 3.9946 8.5909 120.4458 64.7307 68.7741 176.6333 102 S 4.4252 8.1982 119.4844 62.3952 63.1225 177.1251 103 R 4.0789 7.8118 121.1451 60.2878 29.5098 178.7868 104 M 4.1219 7.1917 118.7205 56.9496 32.7932 177.8447 105 R 4.3931 8.8856 123.6835 57.5865 32.1043 177.3978 106 V 3.9047 8.3772 117.9200 66.8067 31.1959 178.7015 107 G 3.6534 7.9806 104.4620 47.6076 0.0000 175.2768 108 E 4.1200 8.1430 120.4858 59.0724 29.9056 178.4889 109 F 3.8605 8.7140 120.6850 61.6438 39.3103 177.2291 110 A 4.1623 8.1394 119.5053 55.4376 18.1483 179.5049 111 E 3.9137 8.5198 117.4406 59.1831 29.3784 179.2726 112 L 3.7774 7.6370 119.9468 58.2458 42.1156 178.9562 113 L 3.7326 7.6094 120.8662 58.1709 41.4375 180.1491 114 E 3.8580 7.7695 118.0393 60.8295 29.6904 181.3933 115 L 4.0982 8.0913 122.0879 58.1496 42.1636 178.9390 116 I 2.6691 7.6012 122.2171 64.9261 36.9893 179.1352 117 Q 3.8471 8.0286 121.0892 59.9969 27.9392 180.1802 118 A 4.2273 8.5797 123.3583 54.8625 18.0513 179.4139 119 F 4.2023 8.9878 119.6408 61.6692 39.5729 177.6906 120 G 3.3372 8.6273 105.2076 47.7760 0.0000 175.7389 121 T 3.9855 8.1769 118.2790 66.5647 68.4326 176.0427 122 E 4.2208 7.7596 115.5764 57.6911 29.8889 177.8111 123 R 4.2772 7.0144 117.9763 55.3863 30.5821 176.5626 124 G 3.7496 7.6702 106.6678 45.9633 0.0000 174.0517 125 V 3.4246 7.3670 119.7581 62.0936 31.6997 175.3335 126 K 4.0373 8.9774 129.3775 54.9308 32.6231 176.4904 127 W 4.7919 8.4119 127.3447 56.1957 30.1528 177.3692 128 S 4.2119 9.8971 121.1260 61.4561 62.5386 176.1833 129 D 4.3671 8.2512 121.1996 57.3084 41.1172 177.9304 130 E 4.0723 8.3689 118.4119 59.2046 29.2676 179.0005 131 A 4.0693 7.5813 120.2913 55.2317 18.6842 179.6219 132 R 3.9895 8.0840 116.4709 59.4566 29.8324 178.7327 133 L 3.8768 8.0583 119.7455 58.6729 42.0219 179.0739 134 A 4.3241 8.3440 120.1951 54.8356 18.2573 179.2788 135 L 4.1945 8.2353 117.3373 57.0877 41.6927 179.2330 136 E 3.8555 7.8930 118.7527 58.9210 29.5982 178.8954 137 W 3.6940 7.7551 118.5688 59.2998 28.9127 178.5741 138 K 4.1669 7.9902 118.3924 59.2635 31.6674 178.2923 139 A 4.1989 7.4162 120.5113 54.4091 18.6719 179.2753 140 R 3.6685 7.5963 116.6582 59.2984 30.2307 176.4989 141 W 4.7958 7.3879 121.4865 57.1335 29.0463 176.0875 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 4.41 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 K 8.17 4.12 0.00 1.80 1.72 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 3 K 9.22 4.16 0.00 1.74 1.66 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.45 7.81 4 L 8.31 4.68 0.00 1.71 1.27 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.78 4.56 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 1.16 0.00 0.00 6 F 8.48 4.63 0.00 2.94 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 7 E 8.33 3.93 0.00 1.91 1.83 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 2.26 2.32 0.00 8 I 8.50 4.14 1.89 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 1.32 0.89 0.94 0.00 0.00 9 R 8.66 4.59 0.00 1.79 1.80 0.00 3.22 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.00 10 S 7.71 4.83 0.00 3.96 3.93 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 11 P 0.00 4.44 0.00 2.27 2.37 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 12 A 7.84 3.93 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 13 H 7.88 4.38 0.00 3.54 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.57 3.96 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 15 Q 8.36 3.97 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 16 N 7.97 4.31 0.00 2.95 3.01 0.00 0.00 6.83 7.65 0.00 0.00 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 A 7.60 2.64 1.04 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 0.00 0.00 18 I 7.61 3.72 1.82 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 1.55 0.76 0.90 0.00 0.00 19 H 7.79 4.19 0.00 3.30 3.45 0.00 5.80 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 20 A 7.78 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.11 3.68 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 22 Q 7.73 4.22 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 23 Q 8.00 4.35 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 24 I 7.00 4.15 1.97 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 1.19 1.19 0.91 0.00 0.00 25 L 8.14 4.42 0.00 1.56 1.59 0.92 0.95 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 26 P 0.00 4.29 0.00 2.07 1.98 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 27 D 8.11 4.29 0.00 2.58 2.52 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 28 P 0.00 4.34 0.00 2.08 2.09 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 T 7.58 3.67 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 30 K 7.70 4.50 0.00 1.77 1.64 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.96 7.81 31 P 0.00 4.61 0.00 2.17 2.20 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 32 I 7.99 4.44 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.92 0.00 0.00 33 V 8.16 4.07 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 0.81 0.00 0.00 0.93 0.00 0.00 34 V 8.28 4.12 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 0.86 0.00 0.00 0.94 0.00 0.00 35 T 8.24 4.47 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 1.23 0.00 0.00 36 I 8.02 4.38 1.88 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 0.71 0.92 0.00 0.00 37 Q 8.01 4.50 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 38 E 8.67 4.24 0.00 2.00 1.88 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 2.32 2.29 0.00 39 R 8.08 4.67 0.00 1.73 1.76 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 40 N 9.07 4.53 0.00 2.77 2.82 0.00 0.00 6.81 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 41 R 7.52 4.22 0.00 1.81 1.71 0.00 3.31 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 42 S 8.34 4.14 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.06 4.05 0.00 1.73 1.86 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.15 4.45 0.00 2.80 2.63 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 45 Q 8.12 4.08 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 46 N 8.00 4.54 0.00 3.10 3.15 0.00 0.00 7.22 7.54 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 47 R 7.99 4.14 0.00 1.81 1.96 0.00 3.27 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 48 K 8.29 4.17 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.31 7.81 49 L 7.97 3.91 0.00 1.57 1.78 0.40 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.51 4.09 0.00 3.52 3.34 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 51 A 7.90 4.24 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 52 C 8.25 4.48 0.00 3.03 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 53 L 8.13 4.07 0.00 1.65 1.77 0.02 0.85 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 54 G 8.27 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 0.00 0.00 0.00 55 D 8.28 4.37 0.00 3.06 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.13 3.41 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 -0.32 0.00 0.00 0.98 0.00 0.00 57 S 8.29 4.58 0.00 4.29 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 58 R 8.36 4.04 0.00 1.99 2.00 0.00 3.21 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 59 Q 8.67 4.54 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 60 V 7.86 4.39 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 0.67 0.00 0.00 1.14 0.00 0.00 61 E 8.16 3.73 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 1.88 2.03 0.00 62 W 8.62 4.82 0.00 3.04 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 63 H 9.34 3.72 0.00 2.83 2.99 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 9.86 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 65 R 7.64 4.72 0.00 2.07 2.01 0.00 2.79 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 66 W 8.86 4.93 0.00 3.39 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 67 L 8.61 4.80 0.00 0.94 1.26 0.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.65 5.03 0.00 3.10 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 69 A 8.88 4.31 1.82 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 70 E 8.55 4.28 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 71 S 7.99 4.13 0.00 3.99 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.37 3.95 0.00 3.58 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 73 K 8.18 3.99 0.00 1.79 1.98 0.00 1.49 0.00 0.00 1.20 0.00 0.00 3.27 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.30 7.81 74 C 7.86 4.09 0.00 3.14 2.90 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 75 V 7.05 3.52 1.52 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 0.14 0.00 0.00 0.41 0.00 0.00 76 F 7.98 4.30 0.00 3.26 2.90 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 77 T 8.65 3.89 4.39 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 1.21 0.00 0.00 78 A 8.74 4.11 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 79 A 7.79 4.11 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 80 L 7.64 4.42 0.00 1.77 1.71 0.94 0.87 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 81 K 7.84 4.61 0.00 1.70 1.69 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.36 7.81 82 Q 8.73 4.07 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 83 Q 8.45 4.29 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 84 D 9.02 4.74 0.00 2.61 2.59 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 85 V 8.24 5.00 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 0.85 0.00 0.00 0.91 0.00 0.00 86 V 8.95 4.75 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 0.76 0.00 0.00 0.97 0.00 0.00 87 P 0.00 4.51 0.00 1.90 1.85 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 88 N 8.28 4.58 0.00 2.66 2.77 0.00 0.00 7.02 7.37 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 89 L 8.52 4.03 0.00 1.63 1.75 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.88 3.97 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.72 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 92 N 8.20 4.88 0.00 2.71 2.79 0.00 0.00 6.04 7.00 0.00 0.00 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 G 7.17 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.78 5.50 0.00 2.92 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 95 V 9.21 4.50 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 0.98 0.00 0.00 0.96 0.00 0.00 96 V 8.56 4.68 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 0.86 0.00 0.00 0.95 0.00 0.00 97 I 9.25 4.54 1.89 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 1.19 0.60 0.93 0.00 0.00 98 G 8.67 4.33 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 0.00 99 Q 8.37 4.44 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 100 S 8.48 4.37 0.00 3.93 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 0.00 101 T 8.59 3.99 4.28 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 0.00 0.00 0.00 1.17 0.00 0.00 102 S 8.20 4.43 0.00 3.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.81 4.08 0.00 1.95 1.85 0.00 3.31 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 104 M 7.19 4.12 0.00 2.10 2.50 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.58 0.00 105 R 8.89 4.39 0.00 1.82 1.80 0.00 3.28 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 106 V 8.38 3.90 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 0.96 0.00 0.00 0.87 0.00 0.00 107 G 7.98 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.12 0.00 2.17 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 2.42 2.40 0.00 109 F 8.71 3.86 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 110 A 8.14 4.16 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 0.00 111 E 8.52 3.91 0.00 2.21 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 2.32 2.46 0.00 112 L 7.64 3.78 0.00 1.54 1.50 0.72 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.61 3.73 0.00 1.85 1.54 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.77 3.86 0.00 1.95 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 2.24 2.18 0.00 115 L 8.09 4.10 0.00 1.77 1.75 1.03 1.04 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 0.00 116 I 7.60 2.67 1.40 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.13 0.45 0.00 0.00 117 Q 8.03 3.85 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 118 A 8.58 4.23 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 0.00 119 F 8.99 4.20 0.00 3.40 3.43 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 0.00 120 G 8.63 3.34 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 0.00 121 T 8.18 3.99 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 122 E 7.76 4.22 0.00 2.08 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 0.00 2.51 2.23 0.00 123 R 7.01 4.28 0.00 1.59 1.76 0.00 3.19 0.00 0.00 3.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.78 0.00 124 G 7.67 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.37 3.42 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 -0.51 0.00 0.00 0.59 0.00 0.00 126 K 8.98 4.04 0.00 1.60 1.59 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.38 7.81 127 W 8.41 4.79 0.00 3.48 3.09 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 0.00 128 S 9.90 4.21 0.00 4.08 4.29 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 0.00 0.00 0.00 0.00 129 D 8.25 4.37 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 0.00 130 E 8.37 4.07 0.00 2.36 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 0.00 2.45 2.46 0.00 131 A 7.58 4.07 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 0.00 132 R 8.08 3.99 0.00 2.10 1.99 0.00 3.20 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 133 L 8.06 3.88 0.00 1.96 1.98 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.34 4.32 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.24 4.19 0.00 1.87 1.73 0.98 1.20 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 0.00 136 E 7.89 3.86 0.00 1.94 1.52 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 2.23 2.44 0.00 137 W 7.76 3.69 0.00 3.55 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 0.00 138 K 7.99 4.17 0.00 2.07 2.07 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.56 7.81 139 A 7.42 4.20 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 0.00 140 R 7.60 3.67 0.00 1.29 0.95 0.00 2.21 0.00 0.00 2.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.20 0.00 141 W 7.39 4.80 0.00 3.47 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