NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3791 8.1227 122.4472 51.8689 20.8403 175.0195 4 V 4.7901 8.2749 118.4379 59.5924 34.0992 173.0530 5 T 4.9174 10.1809 119.0070 60.0515 72.7861 172.3245 6 Q 5.1952 8.5744 119.9497 54.5652 33.0698 174.8179 7 S 4.7551 9.1343 116.7206 56.4564 66.1486 172.1972 8 P 4.8531 0.0000 0.0000 62.4404 32.5156 176.0689 9 R 4.3795 8.3980 116.8194 57.9544 31.4248 176.3599 10 N 5.4964 7.9256 114.5553 51.4793 42.8011 174.1689 11 K 4.4888 8.9271 122.5667 55.5560 36.3736 174.4118 12 V 4.9461 8.5425 120.3729 59.6048 34.0457 174.8319 13 A 4.8010 9.0019 126.0335 50.1544 23.1598 174.7254 14 V 4.6090 8.0879 118.5530 61.3057 33.7939 175.5815 15 T 4.0720 8.2409 123.3979 65.7262 68.7187 174.8861 16 G 3.8693 9.2982 114.3667 45.1916 0.0000 173.6569 17 G 3.9457 7.9446 107.6484 45.4354 0.0000 172.4282 18 K 5.1126 8.3417 120.9215 54.6368 34.0585 175.5453 19 V 4.4892 8.7314 126.0222 61.4042 35.3164 174.1389 20 T 4.8944 8.3715 122.5359 61.8202 71.5856 172.9695 21 L 4.5924 8.4472 127.0566 53.1381 43.8866 175.7151 22 S 5.2339 9.5259 120.0928 56.8526 66.0810 172.1712 23 C 5.4583 9.0987 123.6512 54.9146 42.2265 172.4768 24 Q 5.4078 9.1987 124.6316 54.1319 32.0034 174.4255 25 Q 5.1804 8.8950 120.7589 54.4902 31.8994 174.9934 26 T 4.6425 8.5073 108.4401 61.6190 69.7123 174.4149 27 N 4.2807 8.4483 118.4873 53.4730 39.0238 174.2946 28 N 4.1378 7.8680 115.2612 54.6490 37.4257 173.3188 29 H 4.8020 8.4557 112.9901 54.7485 29.8765 176.0696 30 N 4.5575 8.7922 120.6813 55.6947 38.9657 175.1339 31 N 5.5155 7.6373 114.2386 51.4279 40.6651 174.5619 32 M 5.0976 7.4652 120.8334 53.8146 36.8708 173.7250 33 Y 5.3123 9.3272 118.0426 56.2277 43.2285 174.2951 34 W 5.3603 9.2468 121.2242 55.4496 32.5087 174.3495 35 Y 5.7400 10.2057 122.2267 56.1752 41.9162 174.6105 36 R 5.0434 9.1409 115.6934 54.7052 33.3268 173.9749 37 Q 5.0943 8.9924 121.4224 53.3878 32.6897 173.6952 38 D 4.9393 8.2771 124.8120 52.7569 44.0730 174.9419 39 T 3.7787 8.2578 118.7580 64.1190 68.5574 174.6708 40 G 4.0632 8.8311 114.7189 46.2618 0.0000 173.0875 41 H 4.7856 8.4487 116.8360 53.9914 30.3182 174.7581 42 G 3.8073 8.1322 109.5948 44.8060 0.0000 171.7280 43 L 4.8106 8.1799 121.7264 54.2167 42.6515 176.2675 44 R 4.8834 8.9996 126.0732 54.2032 33.4778 175.0152 45 L 4.4409 8.7431 125.5083 55.3796 43.0439 176.3710 46 I 4.0713 8.9549 127.7817 63.2991 38.3022 175.2926 47 H 5.7570 8.0260 117.2283 54.8360 33.7290 171.2066 48 Y 5.2109 8.9198 117.7213 56.2353 42.2523 173.4187 49 S 4.2961 7.9773 113.2365 56.9312 65.6945 173.9290 50 Y 4.4760 8.5661 123.0538 57.5855 37.9957 175.3972 51 G 4.0579 7.3597 111.4040 44.4457 0.0000 171.6974 52 A 3.9894 8.1155 122.3215 53.9825 18.4920 178.0097 53 G 3.9584 10.2823 109.9659 45.6443 0.0000 173.4137 54 S 4.6334 7.4682 110.5905 57.3726 65.7908 173.6576 55 T 4.7187 7.9563 110.5519 60.5156 71.9939 172.5403 56 E 4.6036 9.1809 122.1408 54.0785 33.4938 175.5647 57 K 4.4463 8.7444 122.9803 56.4116 32.5164 177.5541 58 G 4.2238 8.8814 118.6424 47.1585 0.0000 174.5689 59 D 4.7937 9.0541 121.3927 55.3285 41.7393 177.5053 60 I 4.7052 7.2476 109.9260 58.6658 37.1557 173.3153 61 P 4.3294 0.0000 0.0000 65.7419 32.2919 177.7361 62 D 4.2768 8.1921 118.6287 56.3756 41.0468 176.8650 63 G 3.5979 8.8117 112.3047 45.4010 0.0000 172.0698 *65 Y 5.1511 7.1969 115.5569 58.0079 39.2941 174.4340 66 K 4.8457 9.0946 120.8989 54.7218 36.2696 174.8541 67 A 5.1008 8.1456 121.8337 50.6588 22.5412 175.6461 68 S 4.5890 8.7708 113.2176 56.7570 66.9757 173.3446 69 R 4.9770 8.3901 121.8043 53.7693 28.8845 173.8895 70 P 4.4190 0.0000 0.0000 65.0013 31.8900 176.6500 71 S 4.5181 7.3823 111.1295 57.4314 65.3521 174.1479 72 Q 4.0712 8.6741 120.8560 59.4326 29.0921 177.0687 73 E 4.1877 8.2484 117.0642 58.3559 30.6362 176.7403 74 Q 5.7573 7.7714 119.0916 53.7087 31.9938 175.4099 75 F 5.2872 8.6450 126.4326 57.5262 42.6495 172.9094 76 S 5.3710 9.3454 123.0832 56.6998 66.0583 172.9808 77 L 4.5722 8.2859 125.2249 53.2303 44.0372 174.9438 78 I 4.6793 8.7039 127.6334 59.4978 40.0699 174.8630 79 L 4.6603 8.7014 126.9329 52.8843 42.8902 177.1996 80 E 3.9086 8.8140 124.4280 58.7814 29.7414 177.8374 81 L 4.8297 7.2683 117.2787 51.5890 42.4060 175.5005 82 A 4.9182 9.3204 124.4754 52.0236 19.8076 176.6927 83 T 4.7983 8.4207 110.0530 59.0654 72.2968 173.1267 84 P 4.4897 0.0000 0.0000 65.8671 31.5265 178.7999 85 S 4.2012 8.0071 111.0859 60.6173 63.2120 174.6797 86 Q 4.5185 8.3843 120.1246 56.3657 28.7803 175.3020 87 T 4.5198 7.9784 116.7695 63.6510 69.2163 174.0623 88 S 4.5019 8.1949 119.3992 58.5407 68.0773 174.7884 89 V 4.7611 7.3509 120.5800 61.4501 33.2392 174.3065 90 Y 5.0932 9.1241 126.5699 56.7900 40.0453 174.6994 91 F 5.5182 9.6863 122.3744 56.0299 42.5249 173.6635 92 C 5.0462 9.7464 123.1255 55.2582 42.2440 172.0441 93 A 5.2213 8.4341 122.8045 50.9708 22.6153 175.4751 94 S 5.2443 9.0666 114.7149 56.7127 66.5765 173.3911 95 G 4.4706 9.3552 108.2312 44.9964 0.0000 172.9306 96 G 3.8571 8.8164 112.4693 43.8418 0.0000 175.6314 97 G 3.9577 8.7165 111.7059 46.5302 0.0000 177.4676 98 R 4.1255 9.0001 122.0179 56.8301 29.5532 175.9700 99 G 4.5347 8.3520 103.1066 47.9147 0.0000 173.9958 100 S 4.2267 7.8372 114.1798 56.8708 64.3595 173.7356 101 Y 4.2235 8.0917 117.3693 61.1709 37.9362 178.8972 102 A 3.8375 7.9705 121.6374 54.9031 18.2834 178.1593 *105 E 4.7557 7.9736 113.9948 56.0171 31.9369 175.4267 106 Q 4.7630 7.9266 118.8482 54.4946 31.4247 175.4652 107 F 4.7272 8.9315 119.3571 56.0307 42.5465 174.6770 108 F 4.9827 9.3510 122.7752 56.9570 40.2408 175.8930 109 G 4.2432 9.4437 110.3395 44.6371 0.0000 172.2884 110 P 4.5599 0.0000 0.0000 63.9918 31.6743 177.6323 111 G 3.6135 9.0632 104.4670 45.3011 0.0000 172.5877 112 T 4.8828 8.5153 115.8735 61.6542 72.9966 173.2239 113 R 4.7999 8.8873 125.4041 54.7877 32.0228 175.0159 114 L 5.3443 8.9120 126.5836 53.4922 45.0893 175.1238 115 T 4.9678 8.9439 122.2683 61.7004 72.5159 172.8522 116 V 5.2928 9.4750 126.9602 60.0789 34.1635 175.3714 *250 L 4.8806 8.3477 126.9979 56.2250 40.8183 176.6889 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 3 A 8.12 4.38 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 4 V 8.27 4.79 2.31 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 0.85 0.00 0.00 1.02 0.00 0.00 5 T 10.18 4.92 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 1.24 0.00 0.00 6 Q 8.57 5.20 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 7 S 9.13 4.76 0.00 3.89 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 8 P 0.00 4.85 0.00 2.42 2.05 0.00 3.80 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 1.98 1.97 0.00 9 R 8.40 4.38 0.00 1.79 2.04 0.00 3.44 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 10 N 7.93 5.50 0.00 2.55 2.66 0.00 0.00 6.64 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 11 K 8.93 4.49 0.00 1.84 1.59 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.43 7.81 12 V 8.54 4.95 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 0.76 0.00 0.00 0.93 0.00 0.00 13 A 9.00 4.80 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 14 V 8.09 4.61 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 1.03 0.00 0.00 0.92 0.00 0.00 15 T 8.24 4.07 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 1.19 0.00 0.00 16 G 9.30 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 0.00 0.00 0.00 17 G 7.94 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 18 K 8.34 5.11 0.00 1.72 1.65 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.46 7.81 19 V 8.73 4.49 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 0.81 0.00 0.00 0.86 0.00 0.00 20 T 8.37 4.89 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 1.15 0.00 0.00 21 L 8.45 4.59 0.00 0.65 1.21 -0.08 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.53 5.23 0.00 3.78 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 23 C 9.10 5.46 0.00 2.70 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 24 Q 9.20 5.41 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 25 Q 8.89 5.18 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 26 T 8.51 4.64 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 1.19 0.00 0.00 27 N 8.45 4.28 0.00 2.41 2.28 0.00 0.00 7.01 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 28 N 7.87 4.14 0.00 2.77 2.82 0.00 0.00 7.04 7.89 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 29 H 8.46 4.80 0.00 3.29 3.39 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.79 4.56 0.00 2.73 3.07 0.00 0.00 6.94 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 31 N 7.64 5.52 0.00 2.98 2.39 0.00 0.00 6.60 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 32 M 7.47 5.10 0.00 1.56 1.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 33 Y 9.33 5.31 0.00 2.67 2.35 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 34 W 9.25 5.36 0.00 3.26 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 35 Y 10.21 5.74 0.00 3.21 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 36 R 9.14 5.04 0.00 1.31 1.56 0.00 2.71 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 37 Q 8.99 5.09 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 38 D 8.28 4.94 0.00 2.67 2.44 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 39 T 8.26 3.78 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 1.19 0.00 0.00 40 G 8.83 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 0.00 0.00 0.00 41 H 8.45 4.79 0.00 3.23 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.13 3.81 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 0.00 0.00 0.00 43 L 8.18 4.81 0.00 1.45 1.43 0.96 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.00 4.88 0.00 1.86 1.88 0.00 3.23 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 45 L 8.74 4.44 0.00 1.96 1.62 0.55 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.95 4.07 1.92 0.00 0.00 0.51 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 0.61 0.44 0.00 0.00 47 H 8.03 5.76 0.00 3.14 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.92 5.21 0.00 2.53 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 49 S 7.98 4.30 0.00 3.33 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 50 Y 8.57 4.48 0.00 2.95 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 51 G 7.36 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 0.00 0.00 0.00 52 A 8.12 3.99 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 53 G 10.28 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 54 S 7.47 4.63 0.00 3.96 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 55 T 7.96 4.72 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 1.42 0.00 0.00 56 E 9.18 4.60 0.00 1.16 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 1.47 1.47 0.00 57 K 8.74 4.45 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.52 7.81 58 G 8.88 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 0.00 0.00 0.00 0.00 59 D 9.05 4.79 0.00 2.65 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 60 I 7.25 4.71 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.71 0.98 0.00 0.00 61 P 0.00 4.33 0.00 2.26 2.19 0.00 3.93 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 2.04 0.00 62 D 8.19 4.28 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.81 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 0.00 0.00 0.00 *65 Y 7.20 5.15 0.00 2.93 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 66 K 9.09 4.85 0.00 1.59 1.61 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.34 7.81 67 A 8.15 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.77 4.59 0.00 3.89 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 69 R 8.39 4.98 0.00 2.03 1.89 0.00 3.49 0.00 0.00 2.98 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 70 P 0.00 4.42 0.00 2.24 2.21 0.00 4.06 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 71 S 7.38 4.52 0.00 3.96 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 72 Q 8.67 4.07 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.14 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 73 E 8.25 4.19 0.00 2.02 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 0.00 2.39 2.36 0.00 74 Q 7.77 5.76 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 75 F 8.65 5.29 0.00 2.97 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 76 S 9.35 5.37 0.00 3.73 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 77 L 8.29 4.57 0.00 0.27 0.22 0.62 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.70 4.68 1.79 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 1.15 0.34 0.84 0.00 0.00 79 L 8.70 4.66 0.00 1.43 1.43 0.75 0.72 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 80 E 8.81 3.91 0.00 1.89 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 2.26 2.24 0.00 81 L 7.27 4.83 0.00 1.40 1.50 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 82 A 9.32 4.92 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 83 T 8.42 4.80 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 84 P 0.00 4.49 0.00 2.20 2.16 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 85 S 8.01 4.20 0.00 4.00 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 86 Q 8.38 4.52 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 87 T 7.98 4.52 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 1.30 0.00 0.00 88 S 8.19 4.50 0.00 3.84 3.30 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 89 V 7.35 4.76 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 0.63 0.00 0.00 0.91 0.00 0.00 90 Y 9.12 5.09 0.00 3.07 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 91 F 9.69 5.52 0.00 3.27 3.26 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 92 C 9.75 5.05 0.00 1.45 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 93 A 8.43 5.22 0.75 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 94 S 9.07 5.24 0.00 3.97 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 95 G 9.36 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.82 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 97 G 8.72 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 98 R 9.00 4.13 0.00 1.84 1.85 0.00 3.28 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 99 G 8.35 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 0.00 100 S 7.84 4.23 0.00 3.92 3.81 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 0.00 101 Y 8.09 4.22 0.00 3.03 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 0.00 102 A 7.97 3.84 1.29 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 0.00 0.00 0.00 *105 E 7.97 4.76 0.00 2.05 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 0.00 2.30 2.18 0.00 106 Q 7.93 4.76 0.00 1.96 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 107 F 8.93 4.73 0.00 2.94 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 0.00 108 F 9.35 4.98 0.00 2.86 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 0.00 109 G 9.44 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 0.00 110 P 0.00 4.56 0.00 2.28 2.29 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 111 G 9.06 3.61 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 0.00 0.00 0.00 112 T 8.52 4.88 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 1.39 0.00 0.00 113 R 8.89 4.80 0.00 1.78 1.88 0.00 3.07 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 114 L 8.91 5.34 0.00 1.80 1.76 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.94 4.97 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 0.00 116 V 9.48 5.29 2.19 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 1.17 0.00 0.00 0.93 0.00 0.00 *250 L 8.35 4.88 0.00 1.83 1.81 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.