NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2514 8.3031 122.0281 56.2312 33.2404 175.3375 3 G 3.7312 8.9636 115.2362 44.4915 0.0000 171.4825 4 D 4.4631 8.7306 120.4007 54.1764 42.3950 175.6099 5 K 3.9389 8.8925 126.3491 59.6998 32.2596 179.2480 6 K 4.2513 8.0491 119.6352 58.5741 32.0040 179.3549 7 V 3.6569 8.2239 118.7419 66.1372 31.4286 178.0514 8 I 3.7185 7.7037 119.4253 64.5648 36.9110 178.3409 9 Q 3.9891 8.0167 118.6917 59.4048 28.4643 178.7988 10 H 4.2879 8.5395 117.4276 58.8015 28.6612 177.9023 11 L 4.0127 8.5908 121.1728 57.9557 41.4526 179.3796 12 N 4.3984 8.6478 116.7804 55.8682 38.3917 177.4813 13 K 3.9616 8.0274 121.4373 59.3651 32.3393 178.9413 14 I 3.7108 8.0090 120.3611 64.2664 36.9598 177.9688 15 L 4.0567 8.3829 121.7131 58.1520 41.8836 179.2057 16 G 3.6395 8.1358 105.5139 48.0650 0.0000 175.2899 17 N 4.3637 8.2561 119.1252 56.0749 38.1214 177.4131 18 E 3.9976 8.2648 119.9415 59.3019 29.2167 179.3169 19 L 3.9705 8.1429 119.2317 57.7072 41.5639 179.6155 20 I 3.6308 7.5753 118.9749 64.3242 37.0734 178.2906 21 A 3.2667 7.7836 121.4132 54.8697 18.1408 179.3996 22 I 3.6005 7.9832 118.6658 64.9831 37.2682 178.4190 23 N 4.3993 7.7336 116.5650 56.0465 38.3721 177.4888 24 Q 3.8129 8.2054 121.3476 59.4055 29.1190 177.7885 25 Y 4.7542 7.8669 119.5197 60.6539 37.8558 178.4868 26 F 3.8380 8.4764 121.5528 61.1375 39.4265 176.9947 27 L 3.9574 8.1424 119.9916 58.4892 41.8319 178.5993 28 H 3.7797 8.2303 116.2416 58.5532 28.5265 177.5469 29 S 4.2940 8.3067 115.1907 61.8360 62.1631 176.7057 30 R 3.8386 7.9288 120.4761 59.2434 29.7095 179.0965 31 M 3.4625 7.9579 118.9567 57.7717 31.7522 178.7212 32 W 4.4499 7.9049 119.3716 59.8995 29.2222 178.3521 33 N 4.3567 8.3491 116.4266 56.1983 37.7537 176.6525 34 D 4.3640 7.9139 118.6098 57.4332 41.3903 178.2932 35 W 4.7519 7.8483 115.8156 57.2497 28.8299 177.0250 36 G 3.9619 8.3250 107.9668 46.2307 0.0000 174.4053 37 L 4.8547 8.0001 121.7809 53.1379 40.2638 177.6928 38 K 4.0466 8.3406 121.6479 59.1546 32.3802 179.1304 39 R 3.8884 8.0123 119.3541 59.1946 29.9296 178.4632 40 L 3.8150 7.7716 118.5066 57.5674 41.5297 179.4863 41 G 3.7772 8.2657 105.4237 47.8294 0.0000 175.6119 42 A 3.9953 8.2282 123.5270 55.0127 18.4563 178.9951 43 H 3.8793 8.3395 116.8831 59.6023 29.4293 177.0567 44 E 3.9967 8.6375 121.2885 59.3012 29.4258 178.0133 45 Y 3.9871 8.2137 119.7142 61.0627 38.8664 177.8596 46 H 4.0062 8.1248 117.0391 58.7782 28.8666 177.6288 47 E 3.8173 8.0527 120.3801 59.3853 29.2582 179.3572 48 S 4.3169 8.2339 113.1374 61.4820 62.4999 176.1585 49 I 3.5930 7.8544 122.8902 64.5138 36.8038 178.0434 50 D 4.2748 8.0996 119.5773 57.4862 40.5320 178.8563 51 E 4.2589 8.0510 119.8935 58.9669 29.4433 179.0829 52 M 4.0082 8.1346 118.8260 58.4774 32.0565 178.8940 53 K 3.9250 7.9905 118.3429 59.7258 32.2232 178.9345 54 H 4.1968 8.0645 116.1477 59.0276 28.6495 177.5154 55 A 4.0210 8.3056 122.6790 55.2153 18.0666 179.1626 56 D 4.2400 8.1079 116.3415 57.5485 41.3292 178.6085 57 K 3.9648 8.0078 118.9186 59.4085 31.9799 179.2590 58 L 4.0032 8.0623 119.1578 57.9071 41.6578 179.6458 59 I 3.7188 7.9433 119.6776 64.4109 37.0412 178.2977 60 E 3.9790 8.4896 119.6986 59.4005 29.4060 179.3870 61 R 3.9873 8.1762 118.6386 59.5883 30.1079 178.3200 62 I 3.7275 8.1401 119.9605 64.6768 37.1445 178.4361 63 L 3.9846 7.9223 119.3471 57.7223 41.2498 179.0871 64 F 4.2694 8.2259 119.6511 61.2551 39.5486 176.3029 65 L 4.0029 7.7769 115.9317 54.1391 41.3056 177.2719 66 E 3.8560 7.8762 117.5420 57.1672 27.1487 174.6783 67 G 3.9065 7.9749 108.9073 44.2952 0.0000 173.5358 68 L 4.5956 8.0067 118.8195 51.9922 42.7972 175.1965 69 P 4.4011 0.0000 0.0000 62.4357 31.8186 176.2800 70 N 4.6349 8.8881 122.1201 52.5519 37.8864 173.9491 71 L 4.5551 8.2249 123.2205 54.4045 42.2031 177.3780 72 Q 4.1750 8.4037 121.9329 57.4874 29.5902 175.6578 73 D 4.6060 8.1172 117.8596 52.8942 41.5450 175.1786 74 L 4.5882 8.3708 126.3008 52.9357 44.0043 176.5703 75 G 3.8536 8.3417 116.8666 44.7809 0.0000 171.2179 76 K 4.2336 8.3747 121.2625 55.2240 32.8260 177.3407 77 L 4.0901 8.3898 126.7475 54.4406 42.2616 176.7203 78 L 4.4325 8.8410 124.2727 53.3469 41.3113 175.7483 79 I 4.3593 8.1271 124.8800 59.2659 38.3638 176.6271 80 G 3.9964 8.7142 114.9894 44.8996 0.0000 172.5370 81 E 4.7267 9.2122 115.9387 55.8841 30.5217 175.4538 82 N 5.0955 7.6696 116.9283 50.8894 41.8328 174.9964 83 T 4.4649 8.5887 115.9181 67.2638 68.7084 176.5887 84 Q 4.0396 8.2739 119.3323 59.3702 28.7035 179.0533 85 E 4.0741 9.2530 119.6675 59.4190 29.4806 179.2769 86 M 3.9065 8.5326 119.2480 58.3432 32.0013 178.5637 87 L 4.1842 8.3601 119.2052 58.2238 41.7950 179.5888 88 Q 4.0202 8.0774 118.7412 59.2954 28.9337 178.0105 89 C 4.2278 8.4987 118.1891 62.6934 28.1723 175.6644 90 D 4.6516 8.4082 120.5986 57.4890 40.4013 178.6589 91 L 4.0117 8.1835 120.7817 58.1718 41.9499 178.6927 92 N 4.3319 8.5621 116.8365 56.1705 38.4978 177.0145 93 L 3.9980 8.1334 121.6733 58.4433 42.2290 179.0229 94 E 4.0921 8.4078 118.4038 59.1175 29.4567 179.2370 95 L 3.9982 8.2291 119.4574 57.7925 41.7299 179.4755 96 K 3.9413 7.8731 119.3116 59.4811 32.1457 178.6329 97 A 4.0189 8.1138 121.0583 55.5448 18.3113 179.7974 98 T 3.9430 8.1282 114.2936 66.3077 68.6564 177.1107 99 K 3.9212 7.9934 121.3952 59.7612 32.3074 178.6401 100 D 4.4419 8.3048 119.1129 57.2614 40.5709 178.8958 101 L 4.0158 8.0717 119.6292 57.7239 41.5929 179.4870 102 R 3.9309 7.9107 117.9599 59.5702 30.1996 178.9938 103 E 3.9544 8.1228 117.4325 59.2292 29.3249 179.2730 104 A 3.6266 8.0926 120.8449 55.1866 18.4661 179.8146 105 I 3.6485 8.1057 118.7139 64.2653 37.1884 178.7171 106 V 3.5740 7.9355 119.2872 66.3411 31.3368 177.5882 107 H 4.0490 7.9958 117.3506 59.4539 29.6245 176.8302 108 C 3.9564 8.2930 118.8613 62.8586 27.9770 175.7509 109 E 3.8686 8.2341 120.7232 59.2886 28.9802 178.6873 110 Q 3.9046 7.6137 118.3879 58.7600 29.1871 177.7063 111 V 3.8992 7.1004 110.1055 60.6646 31.7722 175.7576 112 H 2.9971 7.2371 114.1139 56.9670 26.6612 176.1548 113 D 4.4996 7.5639 121.5986 53.6904 39.0636 175.5524 114 Y 4.3915 7.7445 121.7626 59.4578 38.4006 177.2731 115 V 3.6102 7.7628 119.3994 66.1090 31.8062 177.7379 116 S 4.1445 8.1968 114.7733 61.7485 62.5921 176.7892 117 R 3.8739 7.9336 120.9100 59.5359 29.9862 178.0839 118 D 4.3123 8.0692 117.8191 57.1829 41.2803 177.7791 119 L 3.9685 8.2739 121.2405 58.3747 41.9985 179.0953 120 L 4.0407 8.1234 118.9515 57.5189 41.5581 179.3247 121 K 3.9511 8.4407 120.0631 59.5007 32.0879 178.7012 122 D 4.3773 7.9707 119.0085 57.3072 40.6815 178.7151 123 I 3.5532 7.6800 120.2798 64.1655 37.0716 178.1791 124 L 3.9322 8.2467 121.5700 58.1666 41.9105 178.6637 125 E 3.9926 8.3024 119.2551 59.3715 29.5781 178.7936 126 S 4.3469 8.0272 112.7885 61.2933 62.3578 175.9631 127 E 4.2060 8.5710 121.7893 59.4043 29.2094 179.0885 128 E 3.9979 8.7355 119.0561 59.5962 29.5806 179.2782 129 E 4.0582 8.4138 118.5405 59.5895 29.4134 179.0116 130 H 4.3731 8.3464 118.4544 59.3148 29.8763 177.2047 131 I 3.7045 8.1242 121.9757 64.4608 36.8869 177.7964 132 D 4.3028 8.2848 118.6328 57.5069 41.1206 177.4135 133 Y 4.0764 8.1130 119.9425 60.8769 38.7259 178.3675 134 L 3.8453 8.2256 119.5557 57.8567 41.7451 179.3255 135 E 3.9212 8.3988 118.7673 59.6985 29.4096 179.4796 136 T 3.7776 8.1674 116.0785 66.8053 68.4425 176.6970 137 Q 3.7369 7.7633 119.7077 58.7407 28.4823 178.5301 138 L 3.8421 7.7305 120.1419 57.8766 41.5953 179.9649 139 G 3.5332 8.1465 105.4975 47.6529 0.0000 175.8130 140 L 3.9836 7.7583 121.2534 57.5132 41.7445 179.2664 141 I 3.5930 7.4536 119.9826 64.5518 36.7434 178.4997 142 Q 3.9443 7.3598 117.5368 58.9437 28.7037 178.5243 143 K 4.1312 8.0793 118.3832 58.8599 32.2466 179.0247 144 V 4.1497 8.3628 110.2717 59.8809 32.8867 176.6990 145 G 4.1205 7.6515 106.2409 45.8555 0.0000 174.3247 146 L 3.9792 8.5551 123.0911 58.0842 42.1565 179.2290 147 E 3.9715 8.2138 117.8700 59.7050 29.3803 179.0805 148 N 4.3399 8.1180 115.7682 56.3251 38.4595 176.5326 149 Y 3.9910 7.9643 119.8867 60.9048 39.2023 178.0757 150 L 4.0257 8.3255 120.0437 57.7430 41.6760 179.3025 151 Q 3.9370 8.0980 119.5794 59.1660 28.8244 178.0461 152 S 4.3054 8.0725 114.1723 60.1595 63.0103 174.4046 153 H 4.6590 7.6269 118.2381 55.5896 29.7021 175.7039 154 M 4.1875 7.9613 121.0376 57.8962 31.9199 176.1960 155 H 5.0143 7.5719 113.8296 53.9726 30.6037 174.9912 156 E 4.1355 8.6689 121.0794 56.8225 29.2686 176.9400 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 2 K 8.30 4.25 0.00 1.72 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.39 7.81 3 G 8.96 3.73 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 0.00 0.00 0.00 4 D 8.73 4.46 0.00 2.80 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 5 K 8.89 3.94 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 6 K 8.05 4.25 0.00 1.99 1.58 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.49 7.81 7 V 8.22 3.66 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 1.13 0.00 0.00 1.01 0.00 0.00 8 I 7.70 3.72 2.01 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 1.52 0.47 0.91 0.00 0.00 9 Q 8.02 3.99 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 10 H 8.54 4.29 0.00 3.30 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.59 4.01 0.00 1.77 1.74 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.65 4.40 0.00 2.85 2.86 0.00 0.00 6.68 7.27 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 13 K 8.03 3.96 0.00 1.89 1.92 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 8.01 3.71 1.99 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 1.70 1.01 0.92 0.00 0.00 15 L 8.38 4.06 0.00 1.80 1.91 0.92 1.00 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 16 G 8.14 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.26 4.36 0.00 2.92 2.89 0.00 0.00 7.09 7.13 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 18 E 8.26 4.00 0.00 2.14 2.01 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 2.55 2.53 0.00 19 L 8.14 3.97 0.00 1.79 1.68 0.90 0.82 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 20 I 7.58 3.63 1.97 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 1.54 0.81 0.84 0.00 0.00 21 A 7.78 3.27 1.10 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 0.00 0.00 22 I 7.98 3.60 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.87 0.00 0.00 23 N 7.73 4.40 0.00 2.75 2.82 0.00 0.00 6.74 7.25 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 24 Q 8.21 3.81 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 25 Y 7.87 4.75 0.00 3.02 2.99 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 26 F 8.48 3.84 0.00 3.33 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.96 0.00 1.83 1.58 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.23 3.78 0.00 3.46 2.74 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.31 4.29 0.00 4.00 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 30 R 7.93 3.84 0.00 1.95 1.88 0.00 2.95 0.00 0.00 2.63 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 31 M 7.96 3.46 0.00 0.85 1.52 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.20 0.00 32 W 7.90 4.45 0.00 3.66 3.33 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 33 N 8.35 4.36 0.00 2.86 2.84 0.00 0.00 6.66 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.91 4.36 0.00 2.55 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 35 W 7.85 4.75 0.00 3.60 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 36 G 8.33 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 37 L 8.00 4.85 0.00 1.96 1.61 1.34 0.81 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 38 K 8.34 4.05 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 R 8.01 3.89 0.00 2.02 1.91 0.00 3.09 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.77 3.82 0.00 1.31 0.18 0.10 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 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 42 A 8.23 4.00 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 43 H 8.34 3.88 0.00 3.34 3.27 0.00 5.79 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 44 E 8.64 4.00 0.00 2.56 2.23 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 2.73 2.65 0.00 45 Y 8.21 3.99 0.00 3.00 3.07 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 46 H 8.12 4.01 0.00 3.32 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.05 3.82 0.00 2.00 1.67 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 2.21 2.10 0.00 48 S 8.23 4.32 0.00 4.11 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 49 I 7.85 3.59 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.30 0.83 0.00 0.00 50 D 8.10 4.27 0.00 2.81 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 51 E 8.05 4.26 0.00 2.22 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 2.72 2.60 0.00 52 M 8.13 4.01 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 53 K 7.99 3.93 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 H 8.06 4.20 0.00 3.52 3.35 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 4.02 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 56 D 8.11 4.24 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.01 3.96 0.00 2.03 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 58 L 8.06 4.00 0.00 1.89 1.74 0.94 0.65 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 59 I 7.94 3.72 2.02 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 1.53 1.18 0.92 0.00 0.00 60 E 8.49 3.98 0.00 2.12 2.01 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 2.34 2.54 0.00 61 R 8.18 3.99 0.00 2.02 2.12 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 62 I 8.14 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 1.54 0.62 0.94 0.00 0.00 63 L 7.92 3.98 0.00 2.02 1.77 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.23 4.27 0.00 2.97 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.78 4.00 0.00 1.90 1.62 0.97 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 66 E 7.88 3.86 0.00 2.04 2.03 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 2.15 2.10 0.00 67 G 7.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.60 0.00 1.60 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.04 1.98 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 2.03 2.08 0.00 70 N 8.89 4.63 0.00 2.67 2.75 0.00 0.00 7.12 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 71 L 8.22 4.56 0.00 1.63 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.40 4.18 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.12 4.61 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.37 4.59 0.00 1.51 1.51 0.88 1.07 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 75 G 8.34 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 76 K 8.37 4.23 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.51 7.81 77 L 8.39 4.09 0.00 1.63 1.54 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.84 4.43 0.00 1.73 1.67 1.00 1.08 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 79 I 8.13 4.36 1.88 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 0.81 0.91 0.00 0.00 80 G 8.71 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 81 E 9.21 4.73 0.00 2.13 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 0.00 2.50 2.24 0.00 82 N 7.67 5.10 0.00 2.92 2.86 0.00 0.00 6.23 7.22 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 83 T 8.59 4.46 4.50 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 0.00 0.00 0.00 1.52 0.00 0.00 84 Q 8.27 4.04 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 85 E 9.25 4.07 0.00 2.15 2.03 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 2.36 2.60 0.00 86 M 8.53 3.91 0.00 1.42 2.31 0.00 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.05 0.00 87 L 8.36 4.18 0.00 1.92 1.78 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.08 4.02 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.50 4.23 0.00 3.30 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 90 D 8.41 4.65 0.00 3.03 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 91 L 8.18 4.01 0.00 1.87 1.87 0.93 0.56 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 92 N 8.56 4.33 0.00 2.93 2.88 0.00 0.00 6.65 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 93 L 8.13 4.00 0.00 2.00 1.96 0.91 0.86 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 94 E 8.41 4.09 0.00 2.20 2.03 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 2.63 2.41 0.00 95 L 8.23 4.00 0.00 1.86 1.74 0.94 0.84 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 96 K 7.87 3.94 0.00 1.83 2.00 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.11 4.02 1.42 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 98 T 8.13 3.94 4.62 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 1.27 0.00 0.00 99 K 7.99 3.92 0.00 1.87 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.30 4.44 0.00 2.90 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 0.00 101 L 8.07 4.02 0.00 1.95 1.72 0.93 0.77 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 0.00 102 R 7.91 3.93 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 103 E 8.12 3.95 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 2.35 2.45 0.00 104 A 8.09 3.63 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 0.00 105 I 8.11 3.65 2.01 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 1.42 0.87 0.93 0.00 0.00 106 V 7.94 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 107 H 8.00 4.05 0.00 3.28 3.28 0.00 5.85 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 0.00 108 C 8.29 3.96 0.00 3.08 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 0.00 109 E 8.23 3.87 0.00 2.21 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 0.00 2.37 2.44 0.00 110 Q 7.61 3.90 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 111 V 7.10 3.90 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 0.68 0.00 0.00 0.81 0.00 0.00 112 H 7.24 3.00 0.00 3.17 3.16 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.56 4.50 0.00 2.60 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 7.74 4.39 0.00 3.07 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 0.00 115 V 7.76 3.61 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 1.16 0.00 0.00 1.00 0.00 0.00 116 S 8.20 4.14 0.00 4.23 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 0.00 117 R 7.93 3.87 0.00 2.05 2.20 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.07 4.31 0.00 3.04 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.27 3.97 0.00 1.74 1.86 0.94 0.63 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 0.00 120 L 8.12 4.04 0.00 1.87 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.44 3.95 0.00 1.94 1.94 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 D 7.97 4.38 0.00 2.95 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 0.00 123 I 7.68 3.55 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.81 0.00 0.00 124 L 8.25 3.93 0.00 1.86 1.88 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.30 3.99 0.00 2.10 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 2.33 2.34 0.00 126 S 8.03 4.35 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.57 4.21 0.00 2.16 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 2.56 2.52 0.00 128 E 8.74 4.00 0.00 2.20 2.03 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 2.36 2.48 0.00 129 E 8.41 4.06 0.00 2.23 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 2.37 2.36 0.00 130 H 8.35 4.37 0.00 3.37 3.64 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.12 3.70 2.06 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 1.43 0.75 0.93 0.00 0.00 132 D 8.28 4.30 0.00 2.84 2.89 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 0.00 133 Y 8.11 4.08 0.00 3.15 3.19 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 0.00 134 L 8.23 3.85 0.00 2.01 1.70 1.13 0.70 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 0.00 135 E 8.40 3.92 0.00 2.19 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 0.00 2.31 2.35 0.00 136 T 8.17 3.78 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 1.15 0.00 0.00 137 Q 7.76 3.74 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 138 L 7.73 3.84 0.00 1.83 1.62 0.84 0.86 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 0.00 139 G 8.15 3.53 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 0.00 140 L 7.76 3.98 0.00 1.75 1.82 1.00 0.70 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 0.00 141 I 7.45 3.59 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.08 0.82 0.00 0.00 142 Q 7.36 3.94 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 143 K 8.08 4.13 0.00 1.71 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 144 V 8.36 4.15 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 0.77 0.00 0.00 1.14 0.00 0.00 145 G 7.65 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 0.00 0.00 0.00 146 L 8.56 3.98 0.00 1.77 1.69 0.97 0.99 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 0.00 147 E 8.21 3.97 0.00 2.06 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 0.00 2.40 2.42 0.00 148 N 8.12 4.34 0.00 2.92 2.88 0.00 0.00 6.69 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 7.96 3.99 0.00 2.98 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 0.00 150 L 8.33 4.03 0.00 1.73 1.72 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.10 3.94 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 152 S 8.07 4.31 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.63 4.66 0.00 2.91 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.96 4.19 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 155 H 7.57 5.01 0.00 3.09 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.67 4.14 0.00 1.95 1.87 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 2.31 2.30 0.00