NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2348 8.3444 121.6954 55.3233 29.3611 174.3199 3 N 3.9734 8.2914 121.7798 52.2429 39.3411 174.3570 4 A 3.3458 8.7452 125.8689 54.2156 19.7174 178.9533 5 D 4.3612 7.6846 115.3787 56.4164 40.8430 178.3973 6 D 4.3361 7.7454 120.0825 57.3261 40.8625 178.5645 7 F 4.6320 7.8656 117.7471 60.8803 39.0513 177.5232 8 I 3.6533 7.5593 117.2277 63.2148 37.7211 177.6256 9 K 3.8393 7.7099 120.1129 58.8023 32.1767 178.5928 10 F 4.1568 8.5833 117.0429 60.4883 38.9270 176.6674 11 L 3.9775 7.9005 118.1898 54.8109 41.9112 176.2329 12 E 3.6052 7.5666 116.8114 57.1793 26.9187 174.7397 13 L 4.7817 7.5701 118.2941 54.4808 42.8416 178.2735 14 E 4.5113 8.1234 123.5627 54.9118 32.7408 174.1857 15 Q 4.6547 8.5765 121.5436 56.4851 29.8780 174.9458 16 H 5.1290 8.7619 126.5045 54.7249 31.5025 176.2659 17 V 3.6152 8.6211 124.8219 64.8288 31.5013 177.3589 18 E 4.0905 7.6903 117.5095 56.3700 29.8372 175.4299 19 G 4.3565 8.3737 105.6313 44.4206 0.0000 175.7224 20 G 3.6881 9.1144 108.9889 44.7216 0.0000 172.5730 21 F 5.4349 8.3748 116.6299 56.5675 44.0519 173.7966 22 Y 4.7369 7.7744 117.1031 57.7485 41.7371 172.7111 23 R 4.0619 8.1683 114.1564 55.7171 33.4625 173.9362 24 S 4.3219 8.9871 123.5347 58.9495 62.7687 173.9424 25 S 4.3850 8.6830 121.0241 60.2957 62.6150 173.8385 26 Y 4.9117 7.8032 116.2644 55.3505 43.1382 173.7843 27 R 4.2575 8.3260 120.4523 55.7918 32.7190 173.9052 28 S 2.7900 6.2252 120.5520 55.8904 63.2680 173.9721 29 E 4.2058 8.6906 124.8779 57.2041 30.1599 176.1235 30 T 4.6288 7.5355 115.0140 61.6356 71.6459 172.6119 31 A 4.9013 7.8937 124.1278 50.5086 22.8178 178.0060 32 F 4.9055 8.0782 118.8798 57.3064 39.5452 174.6851 33 D 4.4658 9.3482 124.1681 55.9316 41.4893 176.4738 34 P 4.1532 0.0000 0.0000 62.8054 28.2481 174.6162 35 S 4.6508 7.6169 117.1847 58.0497 70.0800 174.6670 36 R 4.4713 7.9349 124.6466 55.8930 33.4763 174.4834 37 Q 3.4485 7.7701 122.1545 50.2287 31.5427 178.3120 38 L 3.5370 8.6245 124.8211 57.6369 43.0406 176.6648 39 W 5.5697 6.9811 113.2322 55.8599 32.0057 173.0180 40 S 4.7395 8.4008 109.1198 57.9671 65.0345 175.5052 41 S 5.4702 9.5464 120.5487 56.5992 65.1655 172.4509 42 I 4.8430 7.8349 115.3303 60.6142 41.1701 172.0762 43 Y 5.1748 7.8881 119.6750 56.8484 41.2675 175.2533 44 F 4.6098 8.1026 116.0047 58.1033 43.4458 172.5448 45 L 5.6578 8.9972 128.9206 52.3809 45.7333 174.9596 46 L 5.3830 8.8270 123.3846 53.1576 45.6123 175.7022 47 R 4.9980 8.8059 122.4274 54.8283 32.4881 176.7269 48 T 3.9312 8.0963 119.5849 66.7508 68.5286 175.3083 49 G 4.1288 8.1024 107.7588 45.4576 0.0000 172.4227 50 E 4.8496 7.8759 118.5636 54.2503 33.1920 175.6589 51 V 4.1377 7.7050 107.9534 60.7362 35.5430 173.4995 52 S 4.5925 8.7725 120.9633 58.5420 61.4527 172.6480 53 H 4.6126 9.0399 123.0307 55.5333 29.2070 175.1119 54 F 4.2084 8.9767 120.2619 59.0250 40.0617 174.3062 55 H 5.0569 8.7329 116.4928 55.1254 31.9552 172.3421 56 R 5.0579 8.9714 118.7467 54.7738 33.9461 173.6757 57 L 5.5948 9.0005 123.1974 51.7789 46.3438 176.2029 58 T 4.7843 9.9409 112.7688 61.9338 69.4179 174.2781 59 A 4.9229 8.0073 121.6190 50.9897 22.5247 176.5347 60 D 4.8137 8.7869 119.8593 55.0980 42.9560 174.7378 61 E 4.7063 8.3301 118.7924 55.4643 33.8386 173.3271 *63 W 5.0155 8.4487 118.0875 56.9853 31.1706 174.5401 64 Y 5.0396 8.7431 119.8483 56.1668 41.3596 174.3820 65 F 4.5533 9.1409 128.2979 58.8718 39.3329 174.5013 66 H 4.6844 8.4414 123.4828 57.6856 29.8210 175.0576 67 A 3.9530 7.4988 117.6332 51.1713 23.0063 176.0340 68 G 3.3787 9.1410 104.5229 44.5606 0.0000 174.1088 69 Q 4.7900 8.6418 124.0231 53.9426 30.2582 175.6610 70 S 4.3052 8.6376 118.0953 58.7260 64.0122 174.0005 71 L 4.7433 8.4559 122.7370 54.1809 44.7713 175.5303 72 T 4.3715 8.7640 115.7905 62.4448 72.4561 174.1169 73 I 4.1178 7.4771 129.3027 60.3156 38.1295 175.7672 74 Y 4.2892 8.5953 126.5795 57.0423 40.2306 174.7884 *76 I 4.1329 8.1580 119.7822 61.1532 38.3841 176.1477 77 S 4.4199 8.8330 123.1457 57.8033 63.1717 173.9131 78 P 4.6889 0.0000 0.0000 63.6306 30.8188 175.9999 79 E 4.4297 9.7246 120.1986 58.4880 30.8977 175.7483 80 G 3.5385 7.8368 109.7772 45.0030 0.0000 172.5374 81 E 4.1986 8.4575 124.1390 55.4906 30.2845 175.5264 82 L 4.4326 8.1792 128.2982 53.7558 40.9417 175.0032 83 T 4.2750 7.9092 114.2059 60.5787 70.1668 175.2028 84 T 4.4464 7.9568 113.4387 60.2408 71.0787 173.4765 85 A 4.0788 8.0471 129.6324 51.2359 21.2486 175.3512 86 Q 4.4060 7.7582 114.5489 54.6394 33.6064 173.8658 87 L 4.5453 8.3513 126.0188 53.2571 44.9391 175.9902 88 G 3.2798 8.0250 113.7290 46.0407 0.0000 172.2705 89 L 4.4134 7.8955 117.1615 55.0277 43.2698 176.6425 90 D 4.4891 7.7142 118.1328 53.9676 39.0928 176.3549 91 L 4.2947 8.3742 124.2380 55.8930 42.0071 178.7935 92 A 4.1067 8.2275 121.7561 54.7948 18.8774 179.3624 93 A 3.9570 8.2008 117.1085 53.4163 18.4284 178.1876 94 G 4.0256 7.5608 101.6800 45.1943 0.0000 174.4902 95 E 4.0339 7.8293 119.5877 56.6979 30.7577 176.1110 96 R 4.5612 8.0984 120.8399 54.0005 33.8607 174.3979 97 P 4.6758 0.0000 0.0000 64.2358 32.6442 175.7247 98 Q 5.6100 7.7112 117.0965 55.4659 31.9428 174.5726 99 F 4.4123 7.6525 122.2452 58.9323 42.0684 173.7576 100 L 4.6835 6.2817 122.8713 53.1942 44.5421 175.7368 101 V 4.2138 8.1069 119.5927 58.5915 33.0529 173.6442 102 P 4.7492 0.0000 0.0000 61.9282 31.7971 176.2217 103 K 4.2914 8.8249 120.3702 58.0389 33.5267 178.3859 104 G 4.0446 9.0668 109.7769 46.5647 0.0000 173.9774 105 C 4.4439 8.0695 119.2469 59.5814 32.6821 173.5082 106 I 4.9570 8.0882 122.4118 59.6959 39.1507 174.8275 107 F 5.6781 8.3613 121.5810 54.3553 41.6464 174.1424 108 G 3.9275 7.9290 104.1070 45.1428 0.0000 171.7818 109 S 5.2619 8.8472 114.2504 56.2048 65.9573 171.9610 110 A 4.4819 8.6482 129.5619 51.1886 22.4192 177.3410 *112 N 4.8353 8.9437 114.5908 53.6657 40.6092 174.4735 113 Q 4.5841 7.6401 114.7659 55.0242 32.5219 173.6024 114 D 4.6003 8.6005 120.7146 54.7970 42.1784 176.3592 115 G 3.9287 7.3546 109.4102 44.7868 0.0000 171.4985 116 F 5.8195 8.4638 118.1564 54.8093 41.7584 174.9817 117 S 4.6556 8.5424 108.8112 57.8569 64.1088 173.2425 118 L 4.7679 8.6114 129.8882 54.5835 43.0648 175.4903 119 V 4.9289 8.8080 124.2481 61.8074 35.8806 173.0215 120 G 4.1489 9.1302 110.9936 44.8279 0.0000 172.2091 121 C 4.8875 8.1372 117.2902 57.9087 33.6586 173.1137 *123 V 4.4582 8.1535 111.6439 63.6273 31.9702 178.7056 124 S 3.7184 7.7238 118.7158 56.3212 63.9150 171.1144 125 P 5.6145 0.0000 0.0000 59.6564 33.9969 173.6707 126 G 3.9903 8.9673 113.2021 45.3271 0.0000 172.7293 127 F 4.1578 8.4949 128.5810 58.7466 40.1458 174.8472 128 T 4.1672 6.2848 114.1217 60.1750 71.2591 174.2332 129 F 4.4818 8.2863 119.8193 58.6329 39.3125 176.6559 130 D 4.4935 7.5157 121.5548 57.2203 40.9917 176.6375 131 D 4.7735 7.8477 117.1165 54.0723 41.0480 174.7284 132 F 5.6662 7.6690 118.5251 56.4923 42.6468 174.1400 133 E 4.2731 6.9247 121.5403 54.8810 33.5298 173.5521 134 L 4.6559 7.7613 128.1194 53.3121 44.4045 175.3931 135 F 4.9701 8.3138 125.1938 56.1715 40.7646 175.8376 136 S 4.7932 8.5013 115.3770 56.3433 65.2819 174.7180 137 Q 3.9394 8.3576 122.1103 59.4189 28.6948 177.8606 138 E 3.5653 8.0545 113.0108 60.3372 29.8497 178.4169 139 A 4.1399 8.4268 126.6318 55.4734 19.2677 179.8765 140 L 4.0745 7.4977 114.0032 56.4181 41.6765 177.6743 141 L 4.2161 8.2381 121.0207 56.6639 42.7105 178.0172 142 A 3.8924 7.2752 116.7308 54.1320 18.6511 177.4090 *144 Y 5.3843 7.3754 112.9724 58.4727 38.7094 173.4251 145 P 4.5944 0.0000 0.0000 64.4540 32.8339 178.2890 146 Q 4.0873 8.2525 116.1188 59.2850 28.4856 176.3646 147 H 5.1248 7.7737 116.4460 54.1328 27.4978 174.3077 148 K 4.2521 7.9036 122.8899 57.9500 33.1206 176.7978 149 A 4.2749 8.3594 121.2930 55.1254 18.4171 179.2628 150 V 3.5879 8.1077 117.2756 64.1460 29.9208 178.6589 151 V 3.4711 7.5108 118.7716 65.0909 31.8431 178.4620 152 Q 4.0957 7.9661 118.0524 58.9972 28.4266 178.7103 153 K 4.2460 8.1532 117.7751 57.8871 32.6540 177.9911 154 L 4.6340 7.1471 119.0141 53.4896 42.7753 175.3032 155 S 5.0208 7.2464 111.3244 58.2729 65.6632 174.7260 156 R 4.8637 8.5583 120.0722 53.3841 33.4995 174.0989 157 P 4.5062 0.0000 0.0000 63.1971 32.3990 176.1712 158 E 4.1229 8.4892 118.2677 57.1650 30.1821 174.8032 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 Q 8.34 4.23 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 1.64 2.16 0.00 3 N 8.29 3.97 0.00 2.71 2.51 0.00 0.00 7.04 7.03 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 4 A 8.75 3.35 1.11 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 0.00 0.00 5 D 7.68 4.36 0.00 2.57 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 6 D 7.75 4.34 0.00 2.56 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.87 4.63 0.00 2.99 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 8 I 7.56 3.65 1.63 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.18 0.83 0.00 0.00 9 K 7.71 3.84 0.00 1.74 1.58 0.00 1.51 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.01 1.26 7.81 10 F 8.58 4.16 0.00 3.34 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 11 L 7.90 3.98 0.00 1.56 1.19 0.25 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.57 3.61 0.00 2.04 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 0.00 2.15 2.35 0.00 13 L 7.57 4.78 0.00 1.49 1.74 0.94 0.76 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 14 E 8.12 4.51 0.00 1.65 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 2.23 2.10 0.00 15 Q 8.58 4.65 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 16 H 8.76 5.13 0.00 3.20 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.62 3.62 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 0.74 0.00 0.00 0.96 0.00 0.00 18 E 7.69 4.09 0.00 2.23 2.43 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 1.80 2.32 0.00 19 G 8.37 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 20 G 9.11 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.37 5.43 0.00 2.96 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 22 Y 7.77 4.74 0.00 3.03 2.49 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 23 R 8.17 4.06 0.00 1.60 1.64 0.00 3.22 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.00 24 S 8.99 4.32 0.00 3.82 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 25 S 8.68 4.39 0.00 4.02 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.80 4.91 0.00 3.13 2.88 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 0.00 0.00 0.00 27 R 8.33 4.26 0.00 1.65 1.61 0.00 3.20 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 28 S 6.23 2.79 0.00 2.72 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 29 E 8.69 4.21 0.00 1.99 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 2.25 2.28 0.00 30 T 7.54 4.63 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 31 A 7.89 4.90 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.08 4.91 0.00 3.10 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 33 D 9.35 4.47 0.00 2.67 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 34 P 0.00 4.15 0.00 2.13 1.97 0.00 3.77 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 2.04 2.19 0.00 35 S 7.62 4.65 0.00 3.93 3.68 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 36 R 7.93 4.47 0.00 1.77 1.88 0.00 3.25 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 37 Q 7.77 3.45 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 38 L 8.62 3.54 0.00 1.65 1.52 0.78 0.99 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 39 W 6.98 5.57 0.00 3.49 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.40 4.74 0.00 3.89 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 41 S 9.55 5.47 0.00 4.14 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.83 4.84 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.40 0.84 0.00 0.00 43 Y 7.89 5.17 0.00 2.94 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 44 F 8.10 4.61 0.00 2.97 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 45 L 9.00 5.66 0.00 1.92 1.75 1.17 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.83 5.38 0.00 1.87 1.70 1.33 0.93 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 47 R 8.81 5.00 0.00 2.32 2.01 0.00 3.31 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 48 T 8.10 3.93 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 1.31 0.00 0.00 49 G 8.10 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.88 4.85 0.00 2.29 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 2.33 2.42 0.00 51 V 7.70 4.14 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 0.56 0.00 0.00 0.86 0.00 0.00 52 S 8.77 4.59 0.00 4.05 4.08 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 0.00 0.00 0.00 53 H 9.04 4.61 0.00 3.21 3.35 0.00 5.94 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.98 4.21 0.00 3.13 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 55 H 8.73 5.06 0.00 3.02 3.26 0.00 5.40 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.97 5.06 0.00 2.09 2.06 0.00 3.54 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.06 0.00 57 L 9.00 5.59 0.00 1.99 1.92 1.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.94 4.78 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 1.30 0.00 0.00 59 A 8.01 4.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.79 4.81 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.33 4.71 0.00 2.27 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 2.46 0.00 *63 W 8.45 5.02 0.00 3.29 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 64 Y 8.74 5.04 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 4.55 0.00 3.11 3.04 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 66 H 8.44 4.68 0.00 3.02 3.21 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.50 3.95 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 68 G 9.14 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.64 4.79 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 70 S 8.64 4.31 0.00 3.83 3.68 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 71 L 8.46 4.74 0.00 1.71 1.83 1.26 0.54 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 72 T 8.76 4.37 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 0.61 0.00 0.00 73 I 7.48 4.12 1.17 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 0.46 0.44 0.45 0.00 0.00 74 Y 8.60 4.29 0.00 2.77 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 *76 I 8.16 4.13 1.61 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 -0.18 0.00 0.00 77 S 8.83 4.42 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.69 0.00 2.25 2.24 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 79 E 9.72 4.43 0.00 1.93 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 2.24 2.29 0.00 80 G 7.84 3.54 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 0.00 0.00 0.00 81 E 8.46 4.20 0.00 1.99 1.81 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 2.28 2.25 0.00 82 L 8.18 4.43 0.00 1.07 1.37 0.98 0.94 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 83 T 7.91 4.28 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 1.22 0.00 0.00 84 T 7.96 4.45 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 1.00 0.00 0.00 85 A 8.05 4.08 -0.11 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 0.00 0.00 86 Q 7.76 4.41 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 87 L 8.35 4.55 0.00 1.58 1.53 1.01 1.71 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 88 G 8.02 3.28 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 0.00 89 L 7.90 4.41 0.00 1.52 1.67 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.71 4.49 0.00 2.63 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 91 L 8.37 4.29 0.00 1.65 1.69 0.91 0.93 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 92 A 8.23 4.11 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 93 A 8.20 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.56 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 0.00 0.00 0.00 95 E 7.83 4.03 0.00 2.01 1.69 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 2.16 2.14 0.00 96 R 8.10 4.56 0.00 1.92 1.89 0.00 3.13 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 97 P 0.00 4.68 0.00 2.17 2.15 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 98 Q 7.71 5.61 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.09 0.00 0.00 0.00 0.00 0.00 1.93 2.16 0.00 99 F 7.65 4.41 0.00 2.91 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 0.00 100 L 6.28 4.68 0.00 1.31 1.02 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.11 4.21 1.24 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 0.32 0.00 0.00 0.59 0.00 0.00 102 P 0.00 4.75 0.00 2.05 2.01 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 103 K 8.82 4.29 0.00 1.95 2.01 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.50 7.81 104 G 9.07 4.04 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 0.00 105 C 8.07 4.44 0.00 3.03 3.20 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 0.00 106 I 8.09 4.96 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 1.12 0.00 0.00 107 F 8.36 5.68 0.00 3.03 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 0.00 108 G 7.93 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 0.00 0.00 0.00 109 S 8.85 5.26 0.00 3.85 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 0.00 110 A 8.65 4.48 1.20 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 0.00 0.00 0.00 *112 N 8.94 4.84 0.00 2.87 2.91 0.00 0.00 6.60 7.69 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 0.00 113 Q 7.64 4.58 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 114 D 8.60 4.60 0.00 2.72 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 0.00 115 G 7.35 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 0.00 0.00 0.00 116 F 8.46 5.82 0.00 3.25 3.16 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 0.00 117 S 8.54 4.66 0.00 4.01 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 0.00 118 L 8.61 4.77 0.00 1.98 1.52 1.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.81 4.93 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 0.89 0.00 0.00 1.04 0.00 0.00 120 G 9.13 4.15 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 0.00 0.00 0.00 121 C 8.14 4.89 0.00 2.71 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 *123 V 8.15 4.46 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.25 0.00 0.00 124 S 7.72 3.72 0.00 4.02 4.08 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 0.00 0.00 0.00 125 P 0.00 5.61 0.00 2.14 2.29 0.00 3.99 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 126 G 8.97 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 0.00 127 F 8.49 4.16 0.00 3.02 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 0.00 128 T 6.28 4.17 4.08 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 0.00 0.00 1.16 0.00 0.00 129 F 8.29 4.48 0.00 3.08 3.13 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 0.00 0.00 0.00 0.00 130 D 7.52 4.49 0.00 2.69 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 0.00 131 D 7.85 4.77 0.00 2.59 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 0.00 132 F 7.67 5.67 0.00 3.15 3.35 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 0.00 133 E 6.92 4.27 0.00 2.00 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 1.52 2.04 0.00 134 L 7.76 4.66 0.00 1.30 1.31 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.31 4.97 0.00 2.92 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 0.00 136 S 8.50 4.79 0.00 4.18 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 0.00 137 Q 8.36 3.94 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 138 E 8.05 3.57 0.00 2.13 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 2.42 2.41 0.00 139 A 8.43 4.14 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 0.00 140 L 7.50 4.07 0.00 1.82 1.59 0.99 0.61 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 0.00 141 L 8.24 4.22 0.00 1.66 1.75 0.91 0.96 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 0.00 142 A 7.28 3.89 1.31 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 0.00 0.00 *144 Y 7.38 5.38 0.00 2.93 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 0.00 145 P 0.00 4.59 0.00 2.02 2.07 0.00 3.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.29 0.00 146 Q 8.25 4.09 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.04 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 147 H 7.77 5.12 0.00 3.15 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.90 4.25 0.00 2.03 1.79 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.48 7.81 149 A 8.36 4.27 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 0.00 150 V 8.11 3.59 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 0.85 0.00 0.00 0.93 0.00 0.00 151 V 7.51 3.47 2.04 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 0.98 0.00 0.00 0.83 0.00 0.00 152 Q 7.97 4.10 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 153 K 8.15 4.25 0.00 1.65 1.84 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 154 L 7.15 4.63 0.00 1.89 1.45 0.07 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.25 5.02 0.00 4.00 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 0.00 156 R 8.56 4.86 0.00 1.68 1.78 0.00 3.30 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 157 P 0.00 4.51 0.00 2.09 2.13 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 158 E 8.49 4.12 0.00 2.09 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 2.26 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.