NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2289 8.1744 117.3783 63.1877 69.5385 173.1356 8 D 4.3340 8.4476 125.2308 51.3622 41.1402 174.4841 9 P 4.3828 0.0000 0.0000 65.4727 32.3592 177.0607 10 R 4.2388 8.0281 115.9411 56.6727 30.6279 176.7866 11 A 4.1650 7.3489 120.1536 51.2151 18.9401 177.1748 12 K 3.8559 8.6539 121.1186 56.5957 32.5646 176.4886 13 W 4.2325 8.8538 135.0000 57.2703 31.2551 175.3972 14 V 4.0869 7.3749 124.3986 59.9518 32.4438 173.3027 15 P 3.9347 0.0000 0.0000 62.3012 32.1741 175.4962 16 Q 4.6981 8.6772 117.0985 54.7093 31.6254 174.4681 17 D 5.4147 8.6581 116.3666 54.4893 41.7627 175.8171 18 N 4.9369 8.5083 113.2727 52.1128 38.9377 173.8047 19 D 4.3243 7.7986 119.5339 53.3630 42.2444 175.3290 20 I 2.8700 7.9160 121.2122 62.8486 37.7714 176.9535 21 Q 4.1953 8.1081 118.5618 56.3505 29.2273 175.4532 22 A 4.7541 7.5304 122.2157 50.6239 20.5551 177.5405 23 C 4.7583 8.8974 117.7665 58.8395 41.7776 174.2429 24 D 4.8935 8.0721 118.9407 52.8775 39.5496 175.4760 25 Y 4.7738 8.1187 122.3663 57.5227 39.3388 177.0803 26 W 4.3826 7.5418 123.9442 59.6451 28.3042 177.7362 27 R 3.5068 5.8400 115.6964 57.8483 29.7919 176.3068 28 H 5.1930 8.4220 116.3368 55.9657 28.9635 174.6077 29 C 2.8032 8.3726 117.9440 56.9746 42.4802 174.0842 30 S 4.7079 7.8929 113.8270 56.3733 62.6578 174.0680 31 I 3.3508 7.2402 118.4048 60.3959 39.2769 174.3655 32 D 4.7823 9.1152 127.3005 54.3387 44.0098 172.9680 33 G 4.2845 7.4705 119.9189 44.5635 0.0000 174.0320 34 N 5.4063 9.7497 123.4490 50.9374 42.4506 173.4131 35 I 4.2497 8.3442 123.3044 61.0157 37.6235 176.6609 36 C 4.2409 8.7090 123.8304 59.9189 35.2818 175.8215 37 D 4.2779 8.1346 118.5530 57.0069 40.8762 177.7189 38 C 4.7417 8.1196 114.7858 57.1424 40.2611 173.6893 39 S 4.6053 8.1791 114.2650 58.1000 63.0955 174.9610 40 G 3.9777 8.8478 108.0268 46.1283 0.0000 175.2268 41 G 4.0070 7.4032 110.2352 44.8395 0.0000 171.4915 42 S 5.1636 8.3207 113.4782 56.2490 66.2943 173.8221 43 L 3.9856 8.7278 120.7992 58.2870 41.5655 178.7014 44 T 4.7588 7.7784 103.6565 60.9389 69.6548 172.7929 45 N 5.0730 7.7470 117.6437 51.8025 42.2969 173.1801 46 C 4.7626 8.3869 117.4902 55.4571 36.3959 172.2856 47 P 4.6304 0.0000 0.0000 61.5534 31.6504 174.4319 48 P 4.2047 0.0000 0.0000 64.4030 31.6309 177.0633 49 G 3.9860 8.8727 110.4137 45.3409 0.0000 173.4879 50 T 4.2019 6.6553 109.1666 60.4946 70.8812 174.2094 51 K 4.5801 8.6818 121.0192 54.4139 35.6354 175.3698 52 L 4.6456 8.9075 126.8130 53.5453 43.0775 175.8330 53 A 4.6079 8.7386 129.2775 52.7901 18.7701 177.0495 54 T 4.4281 8.8877 109.5052 61.8036 70.8596 174.4790 55 A 5.1255 7.7942 124.1056 50.7106 22.6729 175.7010 56 S 3.6052 7.2358 119.0321 58.0679 68.0743 178.0966 *58 V 4.2996 8.4289 112.7763 61.5432 32.5544 172.7875 59 A 4.8908 8.5222 120.9677 51.0611 23.0165 175.4836 60 S 4.9804 8.7886 115.6735 58.0431 63.2939 173.9948 61 C 5.3550 9.7791 125.0460 55.3116 39.4825 172.4810 62 Y 4.6584 8.9555 124.4001 57.1214 40.1135 173.4056 63 N 3.4561 8.2429 127.0903 50.9968 39.1656 173.9993 64 P 4.1240 0.0000 0.0000 65.4385 31.9816 178.0238 65 T 3.8933 7.7037 116.2224 65.9300 68.2565 174.7716 66 D 4.6501 7.4452 116.1914 52.0323 40.1354 176.1980 67 G 4.2342 7.7282 106.9202 46.3700 0.0000 173.4941 68 Q 4.4851 8.0798 118.7481 54.2226 31.3577 174.6754 69 S 5.2389 8.1545 117.5080 57.3466 65.3734 172.7604 70 Y 5.1938 9.1634 121.6148 55.9289 41.8904 174.7276 71 L 4.7678 9.1174 125.6798 54.9458 43.4719 175.5060 72 I 4.5584 8.9661 128.4228 60.0521 39.0159 174.8559 73 A 4.2829 8.1637 129.2428 50.1883 19.5620 177.5591 74 Y 4.6745 7.8808 123.3079 57.2557 35.8508 175.8126 75 R 4.2898 7.7055 120.6518 56.1361 32.1856 176.9218 76 D 5.2561 8.9088 122.8007 54.1862 43.0688 174.5338 77 C 5.2523 9.2673 119.0345 55.7678 42.1686 172.4829 78 C 5.2533 8.9908 120.0250 55.9238 44.7365 174.9872 79 G 4.0752 9.2166 107.1130 45.6164 0.0000 172.9832 80 Y 4.8578 7.3942 114.9369 55.3474 41.7372 174.8436 81 N 4.5234 8.5675 120.4426 53.1519 39.7210 175.1316 82 V 4.1020 8.5183 122.0821 61.1939 31.8762 176.6515 83 S 4.1077 8.3546 118.1687 59.6493 62.9304 175.8315 84 G 3.9540 7.6955 107.1015 45.3438 0.0000 173.1209 85 R 4.5233 7.7005 118.2668 55.6181 32.8972 175.4123 86 C 4.3516 8.7182 117.2220 57.4685 37.7443 171.6066 87 P 5.0233 0.0000 0.0000 63.1136 32.4998 176.8655 88 C 5.0424 9.1020 117.6167 55.6850 45.3396 173.4114 89 L 4.8926 8.4366 123.3291 54.2961 43.3227 174.4838 90 N 5.1052 9.1039 124.1499 51.0729 42.8436 174.9528 91 T 4.3713 7.5810 108.9003 61.1724 69.7538 173.4781 92 E 4.0752 8.1189 123.4124 58.9304 29.0897 177.4750 93 G 3.7639 8.7888 112.0576 45.2441 0.0000 171.7944 94 E 4.3662 8.0097 121.1534 55.8235 30.1314 176.1600 95 L 4.7330 8.5430 126.2890 52.2891 45.2476 174.2010 96 P 4.7136 0.0000 0.0000 61.9187 32.4692 178.0001 97 V 3.6358 8.4727 119.7931 64.5886 31.2482 176.5578 98 Y 4.5020 7.7354 116.6133 57.5598 38.9741 175.6550 99 R 4.6892 7.5335 119.8811 54.3016 30.2993 174.7487 100 P 4.4271 0.0000 0.0000 65.2692 32.1717 179.0907 101 E 3.7553 8.1885 115.1083 58.3443 29.5616 177.4470 102 F 5.0485 8.5891 116.4759 56.8041 40.2789 173.6921 103 A 5.3355 8.4592 124.6351 50.2876 19.5146 177.3420 104 N 5.0045 9.2861 120.2582 52.8540 37.9492 175.6547 105 D 4.7483 7.8326 117.9019 55.5841 41.4544 176.9126 106 I 3.4538 7.2872 119.8961 60.8782 37.4415 176.0760 107 I 3.7693 7.6426 125.1149 60.7543 36.9442 177.0602 108 W 4.7144 8.8268 131.4726 55.7656 27.6509 176.9195 109 C 4.7841 7.1596 115.0862 56.5524 38.5064 174.6368 110 F 4.6504 7.4762 119.7231 59.0800 38.9674 176.2752 111 G 4.5564 9.3998 111.7489 46.4853 0.0000 173.8427 112 A 4.6992 7.7151 122.4417 51.4523 19.1342 176.9612 113 E 4.0318 8.6817 120.4417 58.2036 30.0654 177.4919 114 D 4.2631 9.0637 119.1428 54.5440 38.3643 173.4912 115 D 4.3880 7.7948 114.9528 54.8016 39.0299 174.0474 116 A 4.1104 7.8391 121.3061 53.0480 18.6619 178.2941 117 M 4.6824 8.4455 119.8843 54.6076 34.0599 175.6915 118 T 4.3493 7.6276 109.8765 61.3107 71.1330 172.9005 119 Y 4.5930 8.5116 124.4605 57.5134 39.9691 173.9564 120 H 4.6058 8.2132 125.8922 57.1009 32.0655 171.5032 121 C 4.8372 6.7742 109.7291 55.0256 39.2267 171.7451 122 T 5.3701 9.2104 115.7498 61.8145 71.2331 174.0958 123 I 4.6797 8.4785 118.7835 59.0178 40.6016 175.1025 124 S 4.7593 8.2209 116.4626 56.8682 62.0425 172.9087 125 P 4.4385 0.0000 0.0000 62.6094 33.3880 177.0799 126 I 4.4962 8.1218 122.5557 61.0592 37.8002 176.0513 127 V 4.3096 10.1993 119.3161 60.0430 32.7534 175.7855 128 G 4.2271 7.6359 111.8604 44.6240 0.0000 171.5146 129 K 4.3063 8.2564 121.3216 55.8958 32.3800 175.3071 130 A 3.5765 8.9777 129.1075 54.5327 17.8160 177.2466 *131 S 4.2783 7.8843 115.5121 58.1267 63.0634 179.0950 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 7 T 8.17 4.23 4.28 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 1.25 0.00 0.00 8 D 8.45 4.33 0.00 2.77 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 9 P 0.00 4.38 0.00 2.24 2.20 0.00 3.83 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 2.01 2.01 0.00 10 R 8.03 4.24 0.00 2.00 2.03 0.00 3.18 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 11 A 7.35 4.17 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 12 K 8.65 3.86 0.00 1.76 1.80 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.55 7.81 13 W 8.85 4.23 0.00 3.24 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 14 V 7.37 4.09 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 0.83 0.00 0.00 0.95 0.00 0.00 15 P 0.00 3.93 0.00 2.25 1.94 0.00 3.66 0.00 0.00 3.48 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 16 Q 8.68 4.70 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 17 D 8.66 5.41 0.00 2.62 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 18 N 8.51 4.94 0.00 2.86 2.91 0.00 0.00 5.99 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 19 D 7.80 4.32 0.00 2.74 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 20 I 7.92 2.87 1.34 0.00 0.00 0.72 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 0.56 0.16 0.00 0.00 21 Q 8.11 4.20 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 22 A 7.53 4.75 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.90 4.76 0.00 3.14 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 24 D 8.07 4.89 0.00 2.65 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 25 Y 8.12 4.77 0.00 3.30 2.82 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 W 7.54 4.38 0.00 3.70 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 27 R 5.84 3.51 0.00 1.43 1.54 0.00 2.98 0.00 0.00 2.75 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.42 5.19 0.00 3.57 3.39 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.37 2.80 0.00 2.34 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 30 S 7.89 4.71 0.00 3.74 3.50 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 31 I 7.24 3.35 1.86 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 1.10 1.49 0.91 0.00 0.00 32 D 9.12 4.78 0.00 2.73 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 0.00 0.00 0.00 33 G 7.47 4.28 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 34 N 9.75 5.41 0.00 2.68 2.82 0.00 0.00 7.40 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 35 I 8.34 4.25 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.03 1.00 0.00 0.00 36 C 8.71 4.24 0.00 2.99 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 37 D 8.13 4.28 0.00 2.71 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 38 C 8.12 4.74 0.00 3.13 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 39 S 8.18 4.61 0.00 4.01 3.87 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 40 G 8.85 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 0.00 0.00 0.00 41 G 7.40 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 0.00 0.00 0.00 42 S 8.32 5.16 0.00 3.91 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 43 L 8.73 3.99 0.00 1.65 1.67 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.78 4.76 4.20 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 1.16 0.00 0.00 45 N 7.75 5.07 0.00 2.73 2.66 0.00 0.00 7.00 7.54 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 46 C 8.39 4.76 0.00 2.89 2.90 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 47 P 0.00 4.63 0.00 1.96 2.09 0.00 3.48 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 2.09 2.14 0.00 48 P 0.00 4.20 0.00 2.02 1.97 0.00 3.64 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 2.01 2.07 0.00 49 G 8.87 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 50 T 6.66 4.20 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 0.17 0.00 0.00 51 K 8.68 4.58 0.00 1.62 1.84 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.62 7.81 52 L 8.91 4.65 0.00 1.74 1.53 0.91 1.15 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 53 A 8.74 4.61 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.89 4.43 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 1.23 0.00 0.00 55 A 7.79 5.13 1.46 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 0.00 0.00 56 S 7.24 3.61 0.00 3.86 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 *58 V 8.43 4.30 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 0.53 0.00 0.00 0.85 0.00 0.00 59 A 8.52 4.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.79 4.98 0.00 3.98 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 61 C 9.78 5.36 0.00 3.28 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.96 4.66 0.00 3.17 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 63 N 8.24 3.46 0.00 1.44 2.22 0.00 0.00 6.53 7.38 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 64 P 0.00 4.12 0.00 2.15 2.18 0.00 3.16 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.07 0.00 65 T 7.70 3.89 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 1.15 0.00 0.00 66 D 7.45 4.65 0.00 2.66 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 67 G 7.73 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 68 Q 8.08 4.49 0.00 1.67 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 69 S 8.15 5.24 0.00 3.75 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 70 Y 9.16 5.19 0.00 3.29 3.08 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 71 L 9.12 4.77 0.00 1.89 1.61 1.08 1.06 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 72 I 8.97 4.56 1.48 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 1.20 1.35 0.13 0.00 0.00 73 A 8.16 4.28 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 74 Y 7.88 4.67 0.00 2.96 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 75 R 7.71 4.29 0.00 1.78 2.02 0.00 3.07 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 76 D 8.91 5.26 0.00 2.97 2.76 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 77 C 9.27 5.25 0.00 2.71 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 78 C 8.99 5.25 0.00 2.79 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 79 G 9.22 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 0.00 0.00 0.00 80 Y 7.39 4.86 0.00 2.58 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 81 N 8.57 4.52 0.00 2.64 2.72 0.00 0.00 7.03 7.71 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 82 V 8.52 4.10 2.26 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 1.08 0.00 0.00 1.11 0.00 0.00 83 S 8.35 4.11 0.00 3.96 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 84 G 7.70 3.95 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 0.00 0.00 0.00 85 R 7.70 4.52 0.00 1.81 1.84 0.00 3.33 0.00 0.00 3.51 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 86 C 8.72 4.35 0.00 3.10 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 87 P 0.00 5.02 0.00 2.19 2.07 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 88 C 9.10 5.04 0.00 2.84 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 89 L 8.44 4.89 0.00 1.53 1.50 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.10 5.11 0.00 2.40 2.06 0.00 0.00 6.23 7.76 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 91 T 7.58 4.37 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 1.12 0.00 0.00 92 E 8.12 4.08 0.00 1.79 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 1.87 2.12 0.00 93 G 8.79 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 94 E 8.01 4.37 0.00 1.93 1.85 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 2.61 2.39 0.00 95 L 8.54 4.73 0.00 1.67 1.41 0.90 0.78 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 96 P 0.00 4.71 0.00 1.78 2.04 0.00 3.21 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 97 V 8.47 3.64 2.11 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 0.83 0.00 0.00 0.95 0.00 0.00 98 Y 7.74 4.50 0.00 3.16 3.15 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 99 R 7.53 4.69 0.00 1.67 1.95 0.00 3.36 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.61 0.00 100 P 0.00 4.43 0.00 2.45 2.32 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 101 E 8.19 3.76 0.00 1.58 1.85 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 1.47 1.56 0.00 102 F 8.59 5.05 0.00 3.04 2.92 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 0.00 0.00 0.00 103 A 8.46 5.34 1.50 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 0.00 0.00 104 N 9.29 5.00 0.00 2.75 2.90 0.00 0.00 7.09 7.77 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 0.00 105 D 7.83 4.75 0.00 2.63 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 0.00 106 I 7.29 3.45 0.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.31 -0.50 0.00 0.00 107 I 7.64 3.77 1.62 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.94 0.00 0.00 108 W 8.83 4.71 0.00 3.50 3.31 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 0.00 109 C 7.16 4.78 0.00 2.73 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 0.00 110 F 7.48 4.65 0.00 3.30 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 0.00 111 G 9.40 4.56 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 0.00 0.00 0.00 112 A 7.72 4.70 1.36 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 0.00 113 E 8.68 4.03 0.00 2.08 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 2.41 2.42 0.00 114 D 9.06 4.26 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 0.00 115 D 7.79 4.39 0.00 2.86 2.76 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 0.00 116 A 7.84 4.11 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 0.00 117 M 8.45 4.68 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 118 T 7.63 4.35 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 1.23 0.00 0.00 119 Y 8.51 4.59 0.00 3.13 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 0.00 120 H 8.21 4.61 0.00 3.19 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.77 4.84 0.00 3.15 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 0.00 122 T 9.21 5.37 4.42 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 1.50 0.00 0.00 123 I 8.48 4.68 1.95 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 1.39 0.89 0.88 0.00 0.00 124 S 8.22 4.76 0.00 3.75 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 0.00 125 P 0.00 4.44 0.00 2.04 2.10 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 126 I 8.12 4.50 1.82 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 1.36 0.42 1.03 0.00 0.00 127 V 10.20 4.31 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 0.60 0.00 0.00 0.96 0.00 0.00 128 G 7.64 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 0.00 129 K 8.26 4.31 0.00 1.73 1.68 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.13 0.93 7.81 130 A 8.98 3.58 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 *131 S 7.88 4.28 0.00 3.61 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 * Residues marked with a * may have inaccurate shift predictions.