NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1575 8.2649 123.5753 52.0226 19.8514 176.1811 2 Q 4.1416 8.3361 118.7934 53.8755 28.5652 170.3403 3 V 4.2440 8.8517 123.7511 60.8664 35.0476 175.0880 4 I 4.4324 8.5307 127.0606 60.0443 39.0663 174.0915 5 N 5.1453 8.7693 121.1992 50.5922 38.3456 174.3921 6 T 4.6343 7.5922 109.5105 60.4488 72.2830 175.0431 7 F 4.3342 8.3548 119.7989 61.2677 38.9872 177.8221 8 D 4.5720 8.3271 117.9060 57.1628 40.7334 179.0060 9 G 3.6301 8.4440 106.5891 47.9228 0.0000 176.0719 10 V 3.6836 8.5828 121.2887 65.3310 31.5084 177.9985 11 A 4.0566 8.2754 120.6465 55.3137 18.2858 179.3355 12 D 4.2825 8.2619 117.3993 57.6404 40.9348 178.4313 13 Y 4.1529 8.0945 119.9103 60.7919 38.8370 178.0905 14 L 4.2161 8.4837 121.6456 57.2782 41.4895 179.3662 15 Q 3.7291 7.7357 118.3794 59.3000 29.0765 178.1962 16 T 3.5478 7.4714 115.4400 66.3272 68.6314 175.8438 17 Y 4.2268 7.5631 115.2250 56.7461 39.1503 175.2157 18 H 2.7326 7.5501 116.3152 55.4229 26.5295 174.1761 19 K 4.5594 7.1671 114.3727 56.2807 34.7716 174.3997 20 L 4.2466 8.4670 119.8403 53.5507 42.4568 175.5450 21 P 3.9120 0.0000 0.0000 62.6310 31.7058 177.1764 22 D 4.6828 8.4604 118.4077 55.7903 40.7220 176.5220 23 N 4.6835 7.9474 117.1628 52.9398 38.3922 173.7531 24 Y 5.0993 7.7408 118.0244 56.6110 40.5694 174.6184 25 I 5.0000 8.8897 116.7138 59.0699 41.5736 175.2465 26 T 4.5247 8.6953 113.8719 61.1466 69.6514 175.6386 27 K 4.0565 9.5414 125.1637 60.5297 31.8611 180.6102 28 S 4.4323 8.0754 118.4825 63.2464 62.2613 179.0869 29 E 4.1666 8.2068 121.9307 59.2422 29.2136 179.3797 30 A 3.9911 8.3749 121.1406 55.3410 18.3705 179.7351 31 Q 4.1586 8.8136 116.8149 59.1162 28.5593 178.8311 32 A 4.0476 8.2182 121.1789 54.8094 18.4895 178.8088 33 L 4.3757 7.4407 115.2343 54.9027 41.9920 177.5458 34 G 4.2089 7.9609 108.5441 45.0672 0.0000 173.7283 35 W 4.4787 8.2653 129.7675 56.9801 31.2048 175.9928 36 V 3.8179 8.8518 125.0189 60.4398 32.3128 175.3387 37 A 3.3499 7.4147 131.3694 55.0824 18.0241 179.3871 38 S 4.5594 7.7427 107.1109 59.9264 63.4692 174.9042 39 K 4.2437 8.2859 120.3983 56.1271 32.5146 176.5385 40 G 3.1269 7.3724 106.9977 46.5326 0.0000 173.6079 41 N 4.9014 7.8895 111.6950 52.3010 38.3987 176.4188 42 L 3.9117 8.4451 122.5138 59.0824 41.5540 178.6144 43 A 4.1308 8.0787 119.4730 54.6632 18.0549 179.1540 44 D 4.3254 7.8846 117.2325 57.2656 41.0971 178.5991 45 V 4.0611 7.7697 110.1617 62.1569 33.6131 176.6926 46 A 4.6678 7.9359 121.3764 49.6049 19.7605 173.5853 47 P 4.4378 0.0000 0.0000 62.8604 32.2554 177.6763 48 G 3.8527 8.8159 109.8535 45.5548 0.0000 173.0590 49 K 4.6923 7.7810 118.5233 54.9673 34.0548 176.1085 50 S 4.6575 8.5769 118.3821 56.3424 67.0204 173.5265 51 I 4.1716 7.8834 123.0592 61.3372 37.8648 175.4734 52 G 4.2291 9.2091 112.7986 47.2305 0.0000 173.7135 53 G 4.4066 9.5654 110.6098 44.4004 0.0000 174.0558 54 D 4.6891 7.9710 119.6467 53.8072 42.2344 175.9100 55 I 4.1003 8.4283 121.8433 61.9688 38.0452 175.3286 56 F 4.7959 9.0149 128.2346 56.5234 40.7580 175.0847 57 S 4.0320 8.3726 121.3024 58.3798 63.4796 174.1017 58 N 3.4281 5.7700 118.7107 54.4962 36.6765 175.2584 59 R 3.8390 7.1147 117.4004 58.4389 30.8917 177.9661 60 E 4.3667 8.0091 115.0419 55.3290 30.1313 175.7388 61 G 3.7641 7.7784 106.8765 46.6766 0.0000 175.4382 62 K 4.0660 8.0155 120.2500 57.4134 32.7508 177.5826 63 L 3.6844 7.4873 118.8501 51.8800 42.5650 174.6461 64 P 4.2532 0.0000 0.0000 63.0886 31.2986 176.1857 65 G 4.2360 8.3116 112.6581 44.1210 0.0000 172.4025 66 K 4.3149 8.0375 116.2636 55.2970 34.8076 174.7506 67 S 4.1362 8.7195 116.5616 60.3102 62.5539 173.7021 68 G 3.9742 9.0410 115.5106 45.2167 0.0000 173.3440 69 R 4.0930 7.6756 120.2896 55.4015 31.0478 175.3383 70 T 4.7414 8.2580 114.5108 59.6823 72.6114 172.7179 71 W 5.1159 8.6482 121.2211 55.2161 33.2966 174.4926 72 R 5.2812 8.7662 119.6863 54.7620 34.6131 173.8281 73 E 5.3541 8.8279 116.8071 55.3993 33.7617 173.9489 74 A 4.9569 8.9186 120.2236 50.7417 23.0229 175.6343 75 D 4.9075 9.2853 121.4301 54.5050 40.7282 176.1236 76 I 4.4474 8.5744 122.8667 60.0356 40.5964 175.6032 77 N 4.2422 8.6245 120.7704 54.3099 36.5158 173.4521 78 Y 4.6228 7.2758 119.5841 56.6236 40.2917 175.7470 79 T 4.0278 7.2523 121.0234 64.6226 71.1189 173.7284 80 S 4.0970 6.3373 110.8469 59.1751 65.6918 175.7754 81 G 3.7278 8.5055 107.1223 45.1872 0.0000 173.1523 82 F 4.4402 8.5820 119.5591 57.1942 39.7367 175.5652 83 R 4.3820 8.7757 123.4360 56.4039 30.8409 176.9896 84 N 4.9560 8.5640 118.8481 52.4035 40.0507 175.6388 85 S 4.7795 8.6461 116.4089 58.7559 64.8913 172.6535 86 D 5.5710 8.7862 121.2865 53.3948 42.9332 175.7474 87 R 5.1152 9.1760 120.9176 54.8071 35.3559 173.5701 88 I 5.0916 8.8477 122.1316 59.3996 40.7062 174.1202 89 L 5.3951 9.0792 128.9380 53.1097 44.5190 175.1048 90 Y 5.7069 9.0867 121.6629 55.7261 41.8086 174.9758 91 S 4.0975 8.5228 118.2629 56.2698 65.2253 175.3071 92 S 3.4500 7.7710 114.7486 60.1792 62.8015 174.7263 93 D 4.5360 7.3022 119.1390 52.3219 39.3386 175.9012 94 W 3.8247 6.7369 116.8137 58.3216 27.2961 174.7200 95 L 4.3785 7.9121 117.9435 54.8010 42.0247 176.2968 96 I 5.3296 8.5518 122.6207 60.0287 40.4314 174.1649 97 Y 5.2873 9.5995 124.4779 56.0671 42.0852 174.6268 98 K 5.2756 9.1153 118.7865 55.9634 36.6976 175.0825 99 T 4.8266 8.9596 115.2938 60.6895 70.7984 174.1073 100 T 5.2577 8.8655 115.4588 60.5003 69.8916 173.4832 101 D 4.7919 7.3411 121.9098 54.3116 40.2518 174.7264 102 H 3.8094 8.5741 114.8773 59.1591 28.2976 173.2510 103 Y 3.0406 7.5530 111.9368 58.7035 36.7571 172.0508 104 Q 4.1548 7.9829 120.4638 58.5998 28.9439 176.6440 105 T 4.7714 8.2166 106.0593 59.5462 71.5645 172.9292 106 F 5.1801 8.7852 120.8723 56.1534 42.3535 174.3717 107 T 4.6490 9.0320 120.0499 61.4862 71.1065 173.4718 108 K 3.6123 8.5059 128.1266 55.7925 32.3453 176.3722 109 I 4.0948 8.2797 122.4943 61.6395 38.8640 176.5032 *110 R 4.1259 7.7715 124.4453 56.6181 29.9394 180.5332 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 4.16 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 2 Q 8.34 4.14 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 3 V 8.85 4.24 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 0.74 0.00 0.00 0.83 0.00 0.00 4 I 8.53 4.43 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.89 0.00 0.00 5 N 8.77 5.15 0.00 2.78 2.83 0.00 0.00 6.40 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 6 T 7.59 4.63 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 1.20 0.00 0.00 7 F 8.35 4.33 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.33 4.57 0.00 2.76 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 9 G 8.44 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.58 3.68 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 0.80 0.00 0.00 1.08 0.00 0.00 11 A 8.28 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.26 4.28 0.00 2.87 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 13 Y 8.09 4.15 0.00 3.26 3.12 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 14 L 8.48 4.22 0.00 1.71 1.76 0.63 0.30 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 15 Q 7.74 3.73 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 16 T 7.47 3.55 3.40 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 -0.15 0.00 0.00 17 Y 7.56 4.23 0.00 2.38 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 18 H 7.55 2.73 0.00 3.02 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.17 4.56 0.00 2.03 1.99 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.58 7.81 20 L 8.47 4.25 0.00 1.73 1.63 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.91 0.00 2.28 1.31 0.00 3.59 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 2.33 1.54 0.00 22 D 8.46 4.68 0.00 2.60 2.69 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 23 N 7.95 4.68 0.00 2.63 3.08 0.00 0.00 6.84 8.46 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 24 Y 7.74 5.10 0.00 3.10 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 25 I 8.89 5.00 1.91 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 1.16 1.10 0.89 0.00 0.00 26 T 8.70 4.52 4.46 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 1.27 0.00 0.00 27 K 9.54 4.06 0.00 1.94 2.23 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.13 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.79 1.68 7.81 28 S 8.08 4.43 0.00 3.73 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 29 E 8.21 4.17 0.00 2.19 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 0.00 2.36 2.36 0.00 30 A 8.37 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.81 4.16 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.86 0.00 32 A 8.22 4.05 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 33 L 7.44 4.38 0.00 1.75 1.86 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.96 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 35 W 8.27 4.48 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 36 V 8.85 3.82 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 0.85 0.00 0.00 0.88 0.00 0.00 37 A 7.41 3.35 0.67 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 0.00 0.00 38 S 7.74 4.56 0.00 4.04 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 39 K 8.29 4.24 0.00 1.71 1.90 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.34 7.81 40 G 7.37 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 0.00 0.00 0.00 41 N 7.89 4.90 0.00 3.06 3.02 0.00 0.00 5.73 6.67 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 42 L 8.45 3.91 0.00 1.45 1.74 0.32 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.08 4.13 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 44 D 7.88 4.33 0.00 2.91 2.75 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 45 V 7.77 4.06 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 0.85 0.00 0.00 1.07 0.00 0.00 46 A 7.94 4.67 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 47 P 0.00 4.44 0.00 2.04 2.01 0.00 4.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 48 G 8.82 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 49 K 7.78 4.69 0.00 1.61 1.59 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.47 7.81 50 S 8.58 4.66 0.00 3.27 3.60 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 51 I 7.88 4.17 1.86 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.32 0.85 0.00 0.00 52 G 9.21 4.23 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 0.00 53 G 9.57 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 0.00 0.00 0.00 0.00 54 D 7.97 4.69 0.00 2.71 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 55 I 8.43 4.10 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.90 0.00 0.00 56 F 9.01 4.80 0.00 2.94 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 57 S 8.37 4.03 0.00 3.63 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 58 N 5.77 3.43 0.00 2.40 2.49 0.00 0.00 7.16 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 59 R 7.11 3.84 0.00 1.66 1.85 0.00 3.06 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 60 E 8.01 4.37 0.00 1.97 1.97 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 2.21 2.26 0.00 61 G 7.78 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 0.00 0.00 0.00 62 K 8.02 4.07 0.00 1.61 1.83 0.00 1.91 0.00 0.00 2.14 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 63 L 7.49 3.68 0.00 0.41 0.13 -0.69 -0.54 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 64 P 0.00 4.25 0.00 2.29 2.16 0.00 3.25 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 65 G 8.31 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 0.00 0.00 0.00 0.00 66 K 8.04 4.31 0.00 1.89 1.87 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.31 7.81 67 S 8.72 4.14 0.00 3.83 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 68 G 9.04 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 0.00 0.00 0.00 69 R 7.68 4.09 0.00 1.61 1.80 0.00 3.19 0.00 0.00 2.55 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.24 0.00 70 T 8.26 4.74 4.16 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 1.14 0.00 0.00 71 W 8.65 5.12 0.00 3.61 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 72 R 8.77 5.28 0.00 0.67 1.30 0.00 3.02 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 73 E 8.83 5.35 0.00 2.05 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 0.00 2.38 2.39 0.00 74 A 8.92 4.96 0.94 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 0.00 0.00 75 D 9.29 4.91 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.57 4.45 1.35 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 1.14 0.90 -0.34 0.00 0.00 77 N 8.62 4.24 0.00 2.77 2.85 0.00 0.00 6.82 8.11 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 78 Y 7.28 4.62 0.00 3.12 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 79 T 7.25 4.03 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 1.06 0.00 0.00 80 S 6.34 4.10 0.00 3.79 3.62 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 81 G 8.51 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 82 F 8.58 4.44 0.00 3.22 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 83 R 8.78 4.38 0.00 1.96 1.94 0.00 3.36 0.00 0.00 3.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.71 0.00 84 N 8.56 4.96 0.00 2.86 2.96 0.00 0.00 5.94 7.64 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 85 S 8.65 4.78 0.00 4.00 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 86 D 8.79 5.57 0.00 2.85 2.61 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 87 R 9.18 5.12 0.00 1.56 1.85 0.00 3.48 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.08 0.00 88 I 8.85 5.09 2.07 0.00 0.00 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 1.47 2.16 1.07 0.00 0.00 89 L 9.08 5.40 0.00 1.66 1.36 0.19 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.09 5.71 0.00 3.15 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 91 S 8.52 4.10 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.77 3.45 0.00 3.70 3.70 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 93 D 7.30 4.54 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 6.74 3.82 0.00 3.50 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 95 L 7.91 4.38 0.00 1.78 2.06 1.08 0.81 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 96 I 8.55 5.33 1.99 0.00 0.00 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 1.51 1.14 1.10 0.00 0.00 97 Y 9.60 5.29 0.00 2.91 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 98 K 9.12 5.28 0.00 1.58 1.71 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.52 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.04 0.84 7.81 99 T 8.96 4.83 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 100 T 8.87 5.26 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 1.26 0.00 0.00 101 D 7.34 4.79 0.00 2.84 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 0.00 102 H 8.57 3.81 0.00 3.26 3.36 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.55 3.04 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 7.98 4.15 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 105 T 8.22 4.77 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 1.21 0.00 0.00 106 F 8.79 5.18 0.00 2.92 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 0.00 107 T 9.03 4.65 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 1.13 0.00 0.00 108 K 8.51 3.61 0.00 0.79 1.40 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.18 0.91 7.81 109 I 8.28 4.09 1.83 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 0.77 0.00 0.00 *110 R 7.77 4.13 0.00 1.66 1.93 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.84 0.00 * Residues marked with a * may have inaccurate shift predictions.