NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5893 8.3493 120.1905 54.5734 41.6241 174.3758 3 I 4.2816 8.1166 120.1263 60.5703 38.2725 176.1847 4 S 4.1283 8.9067 120.9324 62.3102 63.4769 177.5957 5 L 3.8690 7.8043 122.3961 57.8162 41.8376 178.3286 6 L 3.7654 7.8769 119.8550 58.2850 41.5957 178.9907 7 K 3.7367 8.2880 118.4831 59.3574 31.7366 179.0079 8 Q 3.9544 7.8424 118.9366 59.2513 29.3501 178.3662 9 V 3.7124 7.6160 119.3058 65.7412 31.5233 178.4181 10 V 3.6082 7.8776 119.0337 64.5133 30.8499 178.2984 11 Q 4.0426 7.5369 117.1795 57.6809 28.6630 177.1099 12 S 4.7515 7.8211 113.7298 57.7152 63.4173 173.2015 13 T 4.9990 7.5942 114.0896 61.3001 70.3957 172.7863 14 N 4.5670 8.6003 122.6953 51.7345 39.4930 173.2128 15 K 5.3809 8.2396 117.8223 56.2416 36.4874 174.6364 16 I 5.0615 8.8647 114.6583 58.9950 41.4636 174.2880 17 A 4.7171 8.9491 126.6455 51.4881 19.7799 176.1352 18 L 5.0499 9.1623 126.3856 53.8031 44.1123 175.3728 19 S 5.5573 9.4153 121.8646 56.7895 66.1515 173.1414 20 T 5.0509 8.9327 110.9448 59.7279 72.9511 173.7122 21 A 5.2198 8.0715 121.5315 50.8996 20.0247 176.1962 22 V 3.8540 8.0322 119.8235 65.8569 32.0323 175.6165 23 N 4.0491 9.4872 122.8992 54.3186 36.0034 173.7751 24 N 4.1491 7.9909 111.3760 54.2155 36.8109 173.5566 25 E 4.5958 8.0003 119.8415 54.2914 31.2132 174.8980 26 A 4.4577 8.5746 129.7043 52.1810 19.3481 175.9144 27 D 4.7995 8.6466 120.5399 53.0095 45.3489 174.3890 28 V 4.9915 8.3648 123.9652 59.9908 34.3971 174.8024 29 K 4.7629 9.0027 122.1243 54.7394 36.7538 175.0073 30 I 4.9194 8.3610 123.2951 60.0830 38.5468 175.5872 31 V 4.6696 8.5153 119.7005 59.3501 35.6930 175.2380 32 N 5.2204 8.9520 120.7092 53.4710 39.3565 174.1885 33 F 5.2784 8.3591 115.1816 55.5506 41.5197 173.9686 34 V 4.2768 8.7733 112.1156 59.4712 35.6023 174.5311 35 W 5.5559 8.1318 130.7651 56.3988 33.8567 173.5705 36 Y 4.3296 7.6267 122.6038 55.6196 40.6600 176.2991 37 E 3.0157 8.3617 124.8771 58.7220 29.9149 177.8149 38 A 4.0945 7.7285 120.2036 54.1180 19.3182 177.1138 39 Q 4.4679 7.7599 116.9000 53.7170 28.6748 173.7090 40 P 4.3604 0.0000 0.0000 64.4086 32.4342 177.5309 41 D 3.5709 7.6984 118.1541 53.5681 40.5434 175.6478 42 T 4.9581 7.6582 115.6470 61.9078 71.5924 173.2916 43 L 5.0873 8.5965 125.3741 53.1718 45.0977 175.0086 44 Y 5.4159 9.1758 119.8693 56.4130 41.5188 174.7508 45 F 5.8385 9.2785 116.9205 54.9543 42.2815 172.9745 46 S 5.3761 9.1257 112.1044 57.0952 66.2309 173.3440 47 S 5.0817 9.2388 115.8346 56.7179 67.8216 173.5868 48 V 4.4030 8.5028 122.3564 62.7104 32.0131 177.1758 49 K 4.2213 9.1463 127.3830 59.0213 32.6950 177.6273 50 T 4.4209 7.7634 108.5982 61.2996 69.3888 174.8060 51 S 4.4362 7.9776 117.7756 57.3642 63.7792 172.6758 52 P 4.2449 0.0000 0.0000 65.8388 31.6055 178.4520 53 A 3.5979 7.9524 119.6380 55.0404 18.3102 179.0219 54 L 4.2372 7.9316 120.6105 59.1036 41.7760 180.2052 55 K 4.0636 7.3856 122.5233 59.5850 31.8819 182.7746 56 V 3.9367 7.9945 119.4104 66.1272 31.4650 177.8572 57 Y 4.3498 7.5653 115.9792 61.2410 37.8271 177.3745 58 D 4.8419 8.2708 117.0876 55.8913 40.9748 176.6544 59 Q 4.3773 8.1274 118.0987 55.0087 29.0954 175.3854 60 N 4.6621 8.4716 115.0087 52.4971 35.8808 172.2283 61 P 4.5771 0.0000 0.0000 62.7192 33.4343 176.0297 62 D 5.1540 8.6034 120.9394 54.2286 41.7564 175.6874 63 I 4.8975 8.9859 115.3656 59.1002 41.7881 173.7612 64 A 5.2547 8.6744 123.5163 50.2847 22.3667 175.1997 65 F 5.9032 8.5969 113.8158 55.4947 42.1787 173.1088 66 I 5.4324 8.2767 118.7840 59.7056 41.3256 174.4357 67 T 4.7928 8.9871 119.5561 61.7102 70.0574 173.7851 68 I 4.6303 8.0486 122.9051 58.7877 39.6752 174.2094 69 P 4.6634 0.0000 0.0000 62.2736 32.2281 176.1302 70 N 4.4583 9.2648 120.3086 53.2478 39.8169 174.3449 71 D 4.4363 8.6170 121.5218 56.1507 41.6387 176.8854 72 G 3.8963 9.0876 114.4513 45.3964 0.0000 172.9614 73 T 4.2430 7.7584 116.6157 62.0082 68.8680 174.4236 74 A 4.4672 8.3411 130.0093 50.6512 21.1076 176.4874 75 G 3.9647 8.5991 106.2151 44.6019 0.0000 173.7716 76 N 4.4966 7.9998 115.1781 53.6642 35.7572 172.6393 77 P 4.8468 0.0000 0.0000 63.4885 32.5497 174.6396 78 Y 4.8390 8.5790 118.0306 56.6366 41.8105 172.7403 79 L 5.1694 8.9903 120.2418 53.2188 45.0843 175.8208 80 R 5.0877 8.9710 121.3835 55.1064 33.9897 173.5642 81 A 4.7633 8.1645 125.9586 50.7193 23.0457 174.8139 82 Q 4.6051 8.0826 117.6616 53.9490 33.1188 174.3898 83 H 4.0437 8.3749 113.4700 57.0261 26.2804 175.2191 84 V 4.1879 7.7739 119.2560 61.9517 33.1173 174.8788 85 K 4.6261 8.7206 129.8965 56.3801 33.2809 175.2431 86 L 5.4668 8.2467 129.5409 53.5179 45.5496 174.9897 87 Q 5.3318 8.7229 121.9347 55.8647 32.3658 173.7229 88 R 4.0838 8.7059 119.1802 56.5811 30.6746 176.3367 89 S 4.9682 8.1705 117.5805 57.1866 63.7401 174.4344 90 T 4.1311 8.5396 113.6703 62.9662 69.2790 175.2753 91 K 4.4091 7.9177 122.5834 56.5774 34.2572 176.6528 92 T 4.3552 8.5158 110.0112 62.2179 67.9410 176.8047 *94 T 4.1323 8.8254 114.0179 63.5343 70.2237 174.5502 95 D 4.3787 7.7807 119.7133 57.0071 41.0769 178.0800 96 L 4.4768 7.5119 118.8194 55.1317 41.9551 178.4608 97 L 3.7021 7.6019 120.6153 57.5921 41.8927 176.7671 98 P 4.2002 0.0000 0.0000 65.8446 31.1561 178.3464 99 Q 3.9408 8.0764 117.6682 59.0706 28.5144 177.4936 100 Y 3.6469 8.0620 117.8933 61.0723 37.6740 178.7208 101 L 4.1199 8.0700 118.7333 57.8206 41.7656 178.9813 102 E 4.0936 8.2189 118.7639 58.3719 29.6535 177.2917 103 T 4.2852 7.4266 106.3315 60.7134 70.5824 173.8351 104 V 4.1745 7.8374 122.9312 60.0141 32.4023 172.8551 105 P 4.2607 0.0000 0.0000 64.2668 31.9748 176.0182 106 N 4.3310 9.0224 117.5959 54.7133 36.2280 175.8783 107 Y 4.2233 7.8593 121.9384 60.4686 38.6415 176.9115 108 Q 4.0861 8.3755 120.7666 59.4677 29.1497 178.5277 109 Q 3.9720 7.7931 117.2534 58.8736 28.6478 178.6839 110 V 3.4017 7.3955 119.8518 65.5426 31.6306 177.4284 111 W 4.1345 7.8044 128.3774 60.8112 30.2874 177.6714 112 D 4.1027 8.2146 117.4301 56.9225 40.2314 178.4252 113 A 4.1471 7.5472 120.4591 54.1942 18.8751 178.1859 114 I 4.4070 7.6592 107.1117 59.8903 39.2385 177.1608 115 G 2.8646 7.9001 112.4739 48.7126 0.0000 176.1411 116 S 4.0610 7.4693 112.9410 60.1792 63.2271 174.6967 117 T 4.3239 7.9843 110.9461 61.5642 69.1940 174.1534 118 L 4.8765 7.6249 122.9947 54.5095 42.9420 176.3101 119 V 4.3593 8.9540 122.6844 61.0387 34.5640 174.4125 120 V 4.4748 8.1197 127.2845 62.1272 33.1194 174.5354 121 F 5.2025 8.9527 126.3054 55.4423 42.6103 174.0577 122 E 5.1428 9.3195 118.8641 54.5382 33.1140 174.6190 123 L 5.1210 8.8513 121.7036 53.1152 44.6677 175.4222 124 K 4.8961 9.1809 124.4933 54.6138 34.0693 175.8823 125 L 4.1901 8.6376 126.0611 55.2360 42.4610 175.3139 126 T 4.4960 8.9133 115.8676 63.3750 70.3881 173.0913 127 D 5.4091 8.0989 124.2548 53.2223 43.5467 175.7619 128 L 4.7836 9.0333 124.1636 53.3495 45.8653 174.6716 129 F 5.1154 9.1807 128.8695 57.0411 41.3885 174.4002 130 V 4.1812 7.5756 125.3157 60.8271 34.5349 173.5726 131 D 4.6861 8.2701 126.8544 52.2296 43.4490 175.5791 132 A 3.8973 8.8579 128.5295 52.8538 18.8545 178.9002 133 G 3.7404 8.8132 104.1658 44.1600 0.0000 172.7403 134 V 3.6734 7.8858 120.4690 64.6266 31.7338 177.9518 135 G 3.8879 9.0500 114.0682 45.6828 0.0000 172.5200 136 G 4.1210 8.1544 107.9374 43.5622 0.0000 172.0853 137 E 4.6248 8.2039 117.9617 54.9599 32.0006 175.5594 138 K 4.9849 8.1181 119.2733 55.1330 36.1311 175.3540 139 Q 4.6627 8.3520 119.7619 56.0033 32.3700 172.6027 140 T 5.1295 8.4452 109.1050 59.9082 71.4602 173.4791 141 L 4.7396 8.9530 122.9213 53.2242 45.4481 175.5596 142 T 4.9674 8.0560 117.9118 61.8969 71.2520 173.2591 143 F 4.7884 9.3720 128.4745 56.3393 40.8790 176.7030 144 N 4.5992 8.8119 118.3990 52.6839 37.5303 173.7158 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 D 8.35 4.59 0.00 2.65 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 3 I 8.12 4.28 2.12 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 1.12 0.00 0.00 4 S 8.91 4.13 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.80 3.87 0.00 1.68 1.56 0.88 0.36 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 6 L 7.88 3.77 0.00 1.80 1.91 0.62 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.29 3.74 0.00 2.13 1.90 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.32 7.81 8 Q 7.84 3.95 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 9 V 7.62 3.71 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.86 0.00 0.00 10 V 7.88 3.61 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 0.22 0.00 0.00 0.60 0.00 0.00 11 Q 7.54 4.04 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.38 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 12 S 7.82 4.75 0.00 3.99 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 13 T 7.59 5.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 14 N 8.60 4.57 0.00 2.48 2.68 0.00 0.00 5.69 6.95 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 15 K 8.24 5.38 0.00 1.95 1.91 0.00 1.27 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 16 I 8.86 5.06 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.75 0.38 0.00 0.00 17 A 8.95 4.72 1.28 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 0.00 0.00 0.00 18 L 9.16 5.05 0.00 1.45 1.40 0.05 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 19 S 9.42 5.56 0.00 3.94 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 20 T 8.93 5.05 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 21 A 8.07 5.22 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 22 V 8.03 3.85 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 1.00 0.00 0.00 0.96 0.00 0.00 23 N 9.49 4.05 0.00 2.90 2.87 0.00 0.00 7.08 8.00 0.00 0.00 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 N 7.99 4.15 0.00 2.91 2.90 0.00 0.00 6.66 7.61 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 25 E 8.00 4.60 0.00 2.05 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 2.21 2.24 0.00 26 A 8.57 4.46 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 27 D 8.65 4.80 0.00 2.73 2.45 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 28 V 8.36 4.99 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 0.81 0.00 0.00 0.98 0.00 0.00 29 K 9.00 4.76 0.00 1.76 1.73 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.41 7.81 30 I 8.36 4.92 1.90 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 1.36 0.56 0.94 0.00 0.00 31 V 8.52 4.67 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 0.75 0.00 0.00 0.49 0.00 0.00 32 N 8.95 5.22 0.00 2.72 2.61 0.00 0.00 6.72 7.45 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 33 F 8.36 5.28 0.00 3.13 2.87 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 34 V 8.77 4.28 1.71 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 -0.19 0.00 0.00 1.00 0.00 0.00 35 W 8.13 5.56 0.00 3.43 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 36 Y 7.63 4.33 0.00 2.86 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 37 E 8.36 3.02 0.00 1.86 1.89 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 2.30 2.44 0.00 38 A 7.73 4.09 1.22 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 0.00 0.00 39 Q 7.76 4.47 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 40 P 0.00 4.36 0.00 2.65 2.40 0.00 3.82 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 2.23 2.12 0.00 41 D 7.70 3.57 0.00 2.16 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 0.00 0.00 0.00 42 T 7.66 4.96 4.14 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 0.53 0.00 0.00 43 L 8.60 5.09 0.00 1.40 1.40 0.87 -0.88 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 44 Y 9.18 5.42 0.00 3.02 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 45 F 9.28 5.84 0.00 3.32 3.21 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 46 S 9.13 5.38 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.24 5.08 0.00 4.22 4.05 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 48 V 8.50 4.40 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 1.05 0.00 0.00 1.00 0.00 0.00 49 K 9.15 4.22 0.00 1.94 1.97 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.40 7.81 50 T 7.76 4.42 4.26 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 1.22 0.00 0.00 51 S 7.98 4.44 0.00 4.04 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 52 P 0.00 4.24 0.00 2.16 2.12 0.00 3.60 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 2.10 2.09 0.00 53 A 7.95 3.60 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 54 L 7.93 4.24 0.00 2.01 1.97 1.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.39 4.06 0.00 1.90 1.71 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.32 7.81 56 V 7.99 3.94 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 0.98 0.00 0.00 0.83 0.00 0.00 57 Y 7.57 4.35 0.00 2.77 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 0.00 0.00 0.00 58 D 8.27 4.84 0.00 2.92 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 59 Q 8.13 4.38 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 60 N 8.47 4.66 0.00 2.94 2.99 0.00 0.00 6.87 8.06 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 61 P 0.00 4.58 0.00 2.17 2.23 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 62 D 8.60 5.15 0.00 2.61 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 63 I 8.99 4.90 2.05 0.00 0.00 1.00 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 0.85 1.02 0.00 0.00 64 A 8.67 5.25 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 65 F 8.60 5.90 0.00 3.02 3.02 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 66 I 8.28 5.43 1.89 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.97 0.91 0.00 0.00 67 T 8.99 4.79 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 1.18 0.00 0.00 68 I 8.05 4.63 1.91 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 1.24 0.71 0.93 0.00 0.00 69 P 0.00 4.66 0.00 1.95 2.01 0.00 3.71 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 2.06 2.35 0.00 70 N 9.26 4.46 0.00 2.58 2.73 0.00 0.00 6.77 7.94 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 71 D 8.62 4.44 0.00 2.62 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 72 G 9.09 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 73 T 7.76 4.24 4.41 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 1.22 0.00 0.00 74 A 8.34 4.47 1.25 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 0.00 0.00 75 G 8.60 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.00 4.50 0.00 2.97 3.04 0.00 0.00 6.99 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 77 P 0.00 4.85 0.00 2.07 2.21 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 78 Y 8.58 4.84 0.00 3.00 3.02 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 79 L 8.99 5.17 0.00 1.75 1.67 0.76 0.60 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 80 R 8.97 5.09 0.00 2.28 2.00 0.00 3.17 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 81 A 8.16 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.08 4.61 0.00 1.69 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 83 H 8.37 4.04 0.00 3.32 3.39 0.00 5.69 0.00 0.00 0.00 0.00 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.77 4.19 2.28 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 1.22 0.00 0.00 0.94 0.00 0.00 85 K 8.72 4.63 0.00 2.00 1.70 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.47 7.81 86 L 8.25 5.47 0.00 1.99 1.75 0.98 0.35 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 87 Q 8.72 5.33 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 88 R 8.71 4.08 0.00 1.66 1.73 0.00 3.10 0.00 0.00 2.90 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.58 0.00 89 S 8.17 4.97 0.00 3.98 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.54 4.13 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 1.20 0.00 0.00 91 K 7.92 4.41 0.00 1.67 1.56 0.00 1.36 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.05 7.81 92 T 8.52 4.36 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 1.19 0.00 0.00 *94 T 8.83 4.13 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 1.19 0.00 0.00 95 D 7.78 4.38 0.00 2.70 2.53 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 96 L 7.51 4.48 0.00 1.73 1.94 1.01 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.60 3.70 0.00 1.04 1.30 0.35 0.13 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 98 P 0.00 4.20 0.00 2.19 2.08 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 99 Q 8.08 3.94 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 1.79 2.18 0.00 100 Y 8.06 3.65 0.00 2.96 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 0.00 101 L 8.07 4.12 0.00 1.60 1.77 0.94 0.95 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 0.00 102 E 8.22 4.09 0.00 2.04 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 2.29 2.31 0.00 103 T 7.43 4.29 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 1.10 0.00 0.00 104 V 7.84 4.17 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 1.14 0.00 0.00 0.65 0.00 0.00 105 P 0.00 4.26 0.00 2.11 2.01 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 106 N 9.02 4.33 0.00 3.00 2.93 0.00 0.00 6.77 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 0.00 107 Y 7.86 4.22 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 0.00 108 Q 8.38 4.09 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 109 Q 7.79 3.97 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 110 V 7.40 3.40 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 0.88 0.00 0.00 0.89 0.00 0.00 111 W 7.80 4.13 0.00 3.20 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 0.00 112 D 8.21 4.10 0.00 2.63 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 0.00 113 A 7.55 4.15 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 0.00 114 I 7.66 4.41 1.83 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 1.31 0.76 0.87 0.00 0.00 115 G 7.90 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 0.00 0.00 0.00 116 S 7.47 4.06 0.00 3.87 3.80 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 0.00 117 T 7.98 4.32 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 1.16 0.00 0.00 118 L 7.62 4.88 0.00 1.83 1.76 1.19 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.95 4.36 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 0.46 0.00 0.00 0.94 0.00 0.00 120 V 8.12 4.47 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 1.06 0.00 0.00 0.93 0.00 0.00 121 F 8.95 5.20 0.00 1.51 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 9.32 5.14 0.00 1.68 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 2.22 0.00 123 L 8.85 5.12 0.00 1.59 1.65 0.74 0.97 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 0.00 124 K 9.18 4.90 0.00 1.61 1.70 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 125 L 8.64 4.19 0.00 1.29 1.73 0.90 1.34 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 0.00 126 T 8.91 4.50 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 127 D 8.10 5.41 0.00 2.59 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 0.00 128 L 9.03 4.78 0.00 1.92 1.64 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 129 F 9.18 5.12 0.00 3.16 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 0.00 130 V 7.58 4.18 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.79 0.00 0.00 131 D 8.27 4.69 0.00 1.96 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 0.00 0.00 0.00 0.00 132 A 8.86 3.90 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 0.00 133 G 8.81 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 0.00 134 V 7.89 3.67 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 0.78 0.00 0.00 1.01 0.00 0.00 135 G 9.05 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 0.00 0.00 0.00 136 G 8.15 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 0.00 137 E 8.20 4.62 0.00 1.84 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 2.30 2.24 0.00 138 K 8.12 4.98 0.00 1.61 1.67 0.00 1.88 0.00 0.00 2.03 0.00 0.00 3.11 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.44 1.39 7.81 139 Q 8.35 4.66 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 140 T 8.45 5.13 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 1.38 0.00 0.00 141 L 8.95 4.74 0.00 1.37 0.96 0.92 0.49 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 0.00 142 T 8.06 4.97 4.17 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 1.28 0.00 0.00 143 F 9.37 4.79 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.81 4.60 0.00 2.74 2.58 0.00 0.00 6.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.