NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3130 8.2649 123.5799 51.7234 19.9480 176.5677 2 T 3.8633 8.2471 116.8460 63.4030 69.0284 172.5341 3 Q 4.4060 8.2086 122.8944 55.3372 33.7238 175.4762 4 G 3.7783 9.1086 108.6932 45.1746 0.0000 172.7429 5 V 4.5094 6.7433 118.8324 60.7735 33.6190 174.8096 6 F 5.0230 9.1108 125.7280 56.0938 43.4400 174.0031 7 T 4.5887 8.7606 119.3952 62.3177 68.9585 174.2475 8 L 4.3063 8.5371 127.6553 51.8673 44.2927 174.6004 9 P 4.3907 0.0000 0.0000 62.6904 31.7812 176.2664 10 A 4.1125 8.5733 123.5186 52.1590 19.3115 176.5495 11 N 4.3408 8.7335 115.2805 55.0810 37.1189 174.9408 12 T 4.7304 8.0833 113.4316 61.6525 72.2261 175.1657 13 R 4.8350 8.7037 125.2207 56.2092 31.0579 175.7793 14 F 5.2050 9.0034 117.4846 55.4432 42.1447 173.4229 15 G 4.5258 9.3574 107.7565 44.8343 0.0000 173.1125 16 V 5.2812 8.8263 121.9661 60.1489 34.7458 174.4969 17 T 4.9271 9.2149 121.1780 61.4102 72.5281 172.6683 18 A 5.2095 8.5318 127.4340 50.0708 22.1898 175.0028 19 F 5.8935 9.7519 119.6649 54.7154 42.7337 174.1754 20 A 5.1545 8.6342 123.0214 50.0065 21.8317 176.1546 21 N 5.4249 8.8688 118.4570 51.3761 39.8198 173.2065 22 S 4.7461 8.9862 115.3932 57.0581 66.5570 176.0641 23 S 4.1083 8.9616 118.4322 60.1757 63.2860 174.3694 24 G 4.2143 7.5746 107.8537 44.4116 0.0000 173.8680 25 T 4.3176 8.4147 118.3335 63.6957 69.2526 173.8627 26 Q 4.5370 9.2126 126.2477 54.9468 31.1384 174.8775 27 T 4.9325 8.9180 120.7930 62.0398 70.9706 173.3344 28 V 4.7621 8.9743 128.2891 61.1285 33.7147 173.8018 29 N 5.1977 9.3091 127.3299 51.6762 41.8769 173.1308 30 V 4.7953 8.5564 125.8709 61.2274 34.0777 173.9326 31 L 5.1079 9.1514 128.8435 53.1873 43.9412 175.6334 32 V 4.6055 8.8652 126.7385 61.9739 34.0066 175.9053 33 N 3.9348 9.6770 125.8590 53.6653 35.3410 171.0954 34 N 4.4366 8.7612 115.5411 54.8961 36.2932 174.6372 35 E 4.7282 7.7242 114.5448 53.6711 32.9464 179.7344 36 T 4.2734 8.6061 119.2845 63.7249 68.7075 173.7069 37 A 4.7569 8.7103 127.7775 52.2081 21.4496 175.8978 38 A 4.4477 7.4970 114.4262 51.5369 22.5980 175.5754 39 T 4.6593 7.9110 115.8240 61.9667 72.7849 173.4046 40 F 5.2499 8.8940 124.3701 55.8881 42.8218 174.4692 41 S 5.6216 7.9755 117.5805 56.2750 66.3119 173.4801 42 G 4.0871 8.1497 109.4958 45.8505 0.0000 171.4675 43 Q 5.0616 8.4498 121.2795 54.2730 31.7044 174.4478 44 S 4.7073 8.0963 115.7314 57.7119 66.3990 175.1718 45 T 4.7460 8.6655 113.9998 61.4675 68.5405 173.6773 46 N 4.9570 8.1093 119.3992 53.3851 39.4629 174.0141 47 N 4.3148 8.6114 112.0638 53.4004 38.2650 173.9479 48 A 4.1467 7.2828 114.0617 51.8638 19.7067 178.4017 49 V 3.8809 8.3646 121.4440 61.8621 31.4320 176.1474 50 I 3.8771 8.3690 120.6420 60.9489 38.2727 176.3685 51 G 2.9654 6.7967 110.6042 46.3172 0.0000 172.9593 52 T 4.7579 7.8037 116.5497 61.0028 70.1079 172.4554 53 Q 4.6546 9.0013 126.8385 54.6019 34.2314 173.5450 54 V 4.5686 8.2198 120.0309 61.2881 33.3153 174.5774 55 L 4.7001 8.0273 126.6882 52.7711 46.1661 174.4823 56 N 5.3679 8.3455 118.9656 51.8380 40.1609 175.1346 57 S 4.2453 9.5006 121.4875 58.9914 63.4310 175.6513 58 G 4.3207 8.8180 112.8262 44.3201 0.0000 174.3325 59 S 4.0117 8.6915 112.5457 60.9986 62.8153 175.6843 60 S 4.2372 8.0748 114.1519 58.2920 63.7465 175.3363 61 G 3.8466 8.0519 107.0963 45.7178 0.0000 172.3461 62 K 4.5918 7.6223 122.7136 55.8964 33.5538 175.7319 63 V 4.8435 8.8140 127.1479 61.1142 34.7985 173.7871 64 Q 5.0236 9.2953 128.8111 54.3074 32.2315 173.7165 65 V 4.8582 8.7276 126.5784 61.4474 33.4236 174.8281 66 Q 4.8068 9.2610 126.4130 54.0955 32.5173 174.6253 67 V 5.1279 8.3180 121.9306 61.2918 35.1448 174.1646 68 S 5.0721 9.1454 120.8255 56.9056 67.3777 173.2530 69 V 4.4831 8.5680 120.5145 60.9968 33.9022 175.3194 70 N 4.3173 9.9721 128.2717 54.3432 36.0023 175.6698 71 G 3.8603 8.5060 104.9361 45.0130 0.0000 173.2917 72 R 4.4091 7.7069 120.9471 53.6426 30.6509 173.6576 73 P 4.6730 0.0000 0.0000 62.7894 31.9826 176.1928 74 S 4.7373 8.7303 119.5573 57.5805 64.3466 173.6714 75 D 4.6497 8.4774 123.6407 54.3315 42.1535 175.0843 76 L 5.6925 8.6437 124.6084 53.0803 44.9771 176.0130 77 V 4.6586 8.6274 120.1274 60.3576 34.8261 174.5114 78 S 5.6690 8.4687 115.4617 58.7585 66.0624 172.6470 79 A 4.6129 8.2528 119.4294 51.5897 22.1370 174.7809 80 Q 5.1769 8.9531 120.2339 54.2495 32.0042 175.0671 81 V 4.6237 8.9495 124.7083 59.9541 35.1212 174.2784 82 I 4.8905 8.3786 122.9765 59.6095 39.9552 174.6208 83 L 4.5861 9.0398 127.2960 53.7886 44.3209 176.6363 84 T 3.4786 9.4017 115.3181 63.4240 65.8496 171.3506 85 N 4.2906 8.4461 112.6586 53.9386 37.7123 173.6733 86 E 4.4966 8.4167 113.8333 56.2770 34.9431 175.2285 87 L 4.1553 7.7516 121.6010 53.9238 43.4910 175.0981 88 N 4.9130 8.0284 124.2439 51.2581 41.0074 174.0753 89 F 5.1459 8.7110 120.6336 55.5097 43.3359 173.5607 90 A 4.8159 9.1932 125.1497 49.9460 21.4246 174.9781 91 L 5.3048 9.1273 122.8838 52.9940 45.1565 175.9725 92 V 5.1198 9.1288 122.1180 61.3104 35.3246 174.3202 93 G 4.8574 9.5286 114.3174 44.7209 0.0000 171.6846 94 S 5.5290 8.8972 114.1083 56.7290 67.0336 172.4289 95 E 4.8342 8.8710 122.7501 54.1482 32.0063 175.6444 96 D 4.6677 9.1343 126.0655 53.2955 39.8870 176.7305 *97 G 3.7910 7.8658 111.7044 46.3558 0.0000 172.7487 *102 Y 4.7551 8.1390 117.7378 57.7963 40.0742 175.2102 103 N 4.8543 8.3058 114.0926 52.9868 37.9841 174.8874 104 D 4.9843 8.5711 120.8228 56.7185 41.9926 176.4000 105 A 5.1091 7.8379 117.4633 50.2010 22.1137 175.6355 106 V 4.7410 9.1493 122.7737 61.0699 34.8306 174.4619 107 V 5.1150 9.1412 127.1645 61.1378 34.8801 174.1107 108 V 4.9507 9.1633 127.3296 61.2330 34.5364 173.9530 109 I 5.3513 9.0734 129.0256 59.5897 40.0164 174.3749 110 N 5.5010 9.2019 123.3973 51.1723 40.9404 173.2060 111 W 5.2323 8.0212 116.4464 55.3039 31.9221 171.8441 112 P 4.9882 0.0000 0.0000 62.1793 31.9425 176.0371 113 L 4.4171 8.2555 120.4882 53.5418 43.2093 177.3318 114 G 3.7475 8.4276 107.4417 46.1862 0.0000 173.6705 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 A 8.26 4.31 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 2 T 8.25 3.86 4.19 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 1.14 0.00 0.00 3 Q 8.21 4.41 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 4 G 9.11 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 5 V 6.74 4.51 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 0.74 0.00 0.00 0.81 0.00 0.00 6 F 9.11 5.02 0.00 2.87 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 7 T 8.76 4.59 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 8 L 8.54 4.31 0.00 1.18 0.78 0.29 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.39 0.00 2.05 2.08 0.00 2.97 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 1.73 2.02 0.00 10 A 8.57 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.73 4.34 0.00 2.77 2.85 0.00 0.00 6.74 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 12 T 8.08 4.73 4.21 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 1.23 0.00 0.00 13 R 8.70 4.83 0.00 1.72 1.83 0.00 3.16 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 14 F 9.00 5.20 0.00 3.27 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 15 G 9.36 4.53 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 16 V 8.83 5.28 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 0.94 0.00 0.00 1.22 0.00 0.00 17 T 9.21 4.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 18 A 8.53 5.21 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 9.75 5.89 0.00 2.92 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 20 A 8.63 5.15 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 21 N 8.87 5.42 0.00 2.93 2.72 0.00 0.00 6.18 8.34 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 22 S 8.99 4.75 0.00 4.04 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 23 S 8.96 4.11 0.00 4.02 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 24 G 7.57 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.41 4.32 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 1.25 0.00 0.00 26 Q 9.21 4.54 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 27 T 8.92 4.93 4.38 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 1.21 0.00 0.00 28 V 8.97 4.76 2.33 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 1.18 0.00 0.00 1.07 0.00 0.00 29 N 9.31 5.20 0.00 2.77 2.70 0.00 0.00 6.20 7.58 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 30 V 8.56 4.80 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 1.08 0.00 0.00 0.91 0.00 0.00 31 L 9.15 5.11 0.00 1.58 1.56 0.91 0.54 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 32 V 8.87 4.61 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 1.06 0.00 0.00 1.12 0.00 0.00 33 N 9.68 3.93 0.00 2.93 2.75 0.00 0.00 7.18 8.54 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 34 N 8.76 4.44 0.00 2.87 2.99 0.00 0.00 6.79 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 35 E 7.72 4.73 0.00 1.87 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 0.00 2.12 2.10 0.00 36 T 8.61 4.27 4.21 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 1.23 0.00 0.00 37 A 8.71 4.76 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 38 A 7.50 4.45 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 39 T 7.91 4.66 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 1.18 0.00 0.00 40 F 8.89 5.25 0.00 2.95 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 41 S 7.98 5.62 0.00 3.72 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 42 G 8.15 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.45 5.06 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 44 S 8.10 4.71 0.00 3.99 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 45 T 8.67 4.75 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 46 N 8.11 4.96 0.00 2.75 2.81 0.00 0.00 6.65 6.54 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 N 8.61 4.31 0.00 2.85 2.89 0.00 0.00 7.11 7.43 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 48 A 7.28 4.15 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 49 V 8.36 3.88 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 0.73 0.00 0.00 0.88 0.00 0.00 50 I 8.37 3.88 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.97 0.00 0.00 51 G 6.80 2.97 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 0.00 0.00 0.00 52 T 7.80 4.76 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 1.08 0.00 0.00 53 Q 9.00 4.65 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 54 V 8.22 4.57 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 0.70 0.00 0.00 0.89 0.00 0.00 55 L 8.03 4.70 0.00 0.48 1.25 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.35 5.37 0.00 2.69 2.69 0.00 0.00 7.00 7.63 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 57 S 9.50 4.25 0.00 3.85 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 58 G 8.82 4.32 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 0.00 59 S 8.69 4.01 0.00 3.98 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 60 S 8.07 4.24 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 61 G 8.05 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 62 K 7.62 4.59 0.00 1.77 1.66 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 63 V 8.81 4.84 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 0.92 0.00 0.00 0.42 0.00 0.00 64 Q 9.30 5.02 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 65 V 8.73 4.86 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 0.95 0.00 0.00 1.16 0.00 0.00 66 Q 9.26 4.81 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 67 V 8.32 5.13 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 1.09 0.00 0.00 1.01 0.00 0.00 68 S 9.15 5.07 0.00 3.95 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 69 V 8.57 4.48 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 1.01 0.00 0.00 0.99 0.00 0.00 70 N 9.97 4.32 0.00 2.87 2.84 0.00 0.00 7.38 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 71 G 8.51 3.86 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 72 R 7.71 4.41 0.00 1.86 1.97 0.00 3.09 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 73 P 0.00 4.67 0.00 2.09 1.98 0.00 3.72 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 2.03 2.11 0.00 74 S 8.73 4.74 0.00 3.82 3.88 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 75 D 8.48 4.65 0.00 2.84 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 76 L 8.64 5.69 0.00 1.59 1.61 0.99 0.94 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 77 V 8.63 4.66 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 0.90 0.00 0.00 0.80 0.00 0.00 78 S 8.47 5.67 0.00 4.28 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 79 A 8.25 4.61 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.95 5.18 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 81 V 8.95 4.62 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 0.74 0.00 0.00 0.93 0.00 0.00 82 I 8.38 4.89 1.84 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 1.18 0.63 0.87 0.00 0.00 83 L 9.04 4.59 0.00 1.59 1.58 1.01 0.46 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 84 T 9.40 3.48 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 1.20 0.00 0.00 85 N 8.45 4.29 0.00 2.83 2.82 0.00 0.00 7.00 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 86 E 8.42 4.50 0.00 1.88 1.86 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 2.44 2.37 0.00 87 L 7.75 4.16 0.00 1.66 1.59 0.58 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.03 4.91 0.00 1.44 1.42 0.00 0.00 6.33 7.67 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 89 F 8.71 5.15 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 9.19 4.82 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.13 5.30 0.00 1.59 1.60 0.89 0.61 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 92 V 9.13 5.12 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 1.19 0.00 0.00 1.31 0.00 0.00 93 G 9.53 4.86 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 94 S 8.90 5.53 0.00 3.94 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 95 E 8.87 4.83 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 2.18 2.08 0.00 96 D 9.13 4.67 0.00 2.76 2.70 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 0.00 0.00 0.00 0.00 *97 G 7.87 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 0.00 0.00 0.00 *102 Y 8.14 4.76 0.00 2.99 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 0.00 103 N 8.31 4.85 0.00 2.72 2.92 0.00 0.00 6.25 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 0.00 104 D 8.57 4.98 0.00 2.76 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 0.00 105 A 7.84 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.15 4.74 2.30 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 1.03 0.00 0.00 1.05 0.00 0.00 107 V 9.14 5.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.10 0.00 0.00 108 V 9.16 4.95 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.15 0.00 0.00 109 I 9.07 5.35 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 1.18 0.00 0.00 110 N 9.20 5.50 0.00 2.33 2.76 0.00 0.00 6.24 8.24 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 0.00 111 W 8.02 5.23 0.00 3.54 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 0.00 112 P 0.00 4.99 0.00 2.29 2.28 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 113 L 8.26 4.42 0.00 1.69 1.69 0.93 1.02 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 0.00 114 G 8.43 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 * Residues marked with a * may have inaccurate shift predictions.