NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.0423 8.3149 121.7353 55.1657 34.7697 174.8060 8 Q 4.1280 7.0954 116.7594 54.1757 31.2290 173.4124 9 F 5.4882 8.9125 121.7696 55.6715 43.1797 173.5924 10 A 4.9103 9.0184 124.5594 49.9192 21.9389 174.8613 11 V 4.5497 8.7308 122.8831 61.0601 34.4693 174.2165 12 I 4.3881 8.8315 129.6288 61.3841 39.4974 175.5436 13 G 4.2960 9.2136 116.9301 46.7458 0.0000 173.3545 14 L 4.4547 8.5759 132.9160 54.1553 42.1126 177.0802 15 G 4.0827 7.3888 111.4434 44.9164 0.0000 173.9240 16 R 3.8901 8.9175 117.5962 59.7699 30.3358 178.3473 17 F 4.3784 8.1497 119.1520 60.9161 39.4510 176.8959 18 G 3.9375 7.5851 105.9166 47.2455 0.0000 175.4049 19 G 3.3240 8.0717 110.3061 46.6676 0.0000 175.6666 20 S 4.0582 7.8359 115.1012 60.8422 62.3339 175.8614 21 I 3.6608 7.2684 121.1060 63.2384 37.6801 177.9798 22 V 3.5383 7.6183 119.4229 65.8203 31.3795 178.1103 23 K 4.0596 8.3513 118.5754 59.6281 31.7613 179.2406 24 E 4.0183 7.9434 118.7168 59.2748 29.3129 179.3258 25 L 3.9697 7.8915 119.1498 57.8914 41.5601 178.8810 26 H 4.1565 8.2848 118.1717 59.5216 29.7055 177.1922 27 R 3.6564 8.0109 119.0099 59.0894 29.7478 177.2110 28 M 4.5465 7.4647 116.1611 54.2888 32.3145 176.0233 29 G 3.8626 8.4477 106.9225 46.8696 0.0000 173.8453 30 H 4.9386 8.1922 115.8927 54.2061 30.7160 175.1050 31 E 4.4237 8.7428 120.3641 56.4449 30.9273 176.0542 32 V 4.7993 8.3737 122.4462 61.4092 35.6322 173.2531 33 L 4.9756 9.4354 130.4298 53.6342 43.2160 174.7475 34 A 5.0302 8.9992 129.8578 51.0025 20.7881 176.2372 35 V 5.3344 8.2283 119.6211 60.0700 35.3287 173.5016 36 D 4.8502 8.3240 120.9479 53.4899 44.1908 176.0643 37 I 3.9425 8.9202 116.2093 62.2728 38.3551 176.7358 38 N 4.9404 8.0440 119.0125 50.7973 39.9937 175.5891 39 E 4.0265 8.7865 122.5074 59.3801 29.6143 178.9790 40 E 3.9632 8.2858 118.1944 59.3742 29.1311 179.1063 41 K 3.9864 7.9370 118.7742 59.1170 32.6435 178.1511 42 V 3.8216 7.6504 118.0977 66.3473 31.3002 177.7527 43 N 4.3815 9.0485 116.5842 56.2619 38.2999 176.9372 44 A 4.2570 7.8827 119.0880 53.7482 18.4857 177.1865 45 Y 4.5723 7.8223 113.6438 57.0821 39.4490 177.3188 46 A 4.0848 8.4680 125.2970 55.3713 18.4660 180.0380 47 S 4.1793 7.9895 107.3665 60.0948 63.3942 174.2109 48 Y 4.1036 7.8171 117.7314 57.3327 36.6866 174.9852 49 A 4.7953 7.5463 121.4614 50.6361 22.4053 177.8275 50 T 4.2027 8.2113 115.2321 65.3133 68.1927 174.5204 51 H 4.8791 7.9497 116.4969 54.5198 33.9944 172.7281 52 A 5.1195 8.8382 124.6467 50.4317 20.8703 175.1538 53 V 4.4036 8.7159 122.1607 61.9391 34.4550 174.6771 54 I 4.7825 8.2230 127.1145 60.6906 37.9497 174.8927 55 A 4.5972 9.1297 127.0413 51.3170 23.5548 174.7072 56 N 4.9167 9.6746 119.2394 51.6703 39.6151 175.4851 57 A 4.0920 8.7771 130.3445 54.6502 18.7159 178.5092 58 T 3.9669 7.7681 104.9727 63.7308 69.4914 175.0666 59 E 4.2616 8.3191 123.4303 55.2495 29.8458 177.0131 60 E 4.0570 8.7936 124.5789 59.1317 29.5847 178.8108 61 N 4.3607 8.0595 117.8695 55.9934 37.4480 177.0329 62 E 3.9975 8.1300 120.5600 58.8786 29.3045 178.9352 63 L 3.9764 7.9887 120.5908 58.0678 42.0791 179.0519 64 L 4.0546 7.7190 119.2047 57.6968 41.3288 179.4226 65 S 4.1874 7.9198 114.5199 61.5686 62.8922 176.1639 66 L 4.2974 7.6888 118.9522 54.5180 41.9779 176.9676 67 G 4.0643 8.5968 108.2766 46.0948 0.0000 175.6771 68 I 3.9261 7.5063 120.9372 63.4601 38.2124 177.3066 69 R 4.1430 8.0097 118.6454 58.3667 30.0238 176.1918 70 N 4.6561 8.2416 113.8465 53.6835 38.6281 174.5355 71 F 4.8070 7.8659 117.1832 55.8031 41.3576 175.6143 72 E 4.2604 8.7481 123.3429 58.1955 31.2680 175.7276 73 Y 4.9949 7.9911 116.9337 56.0479 41.2262 175.0832 74 V 4.8515 8.8412 124.8322 61.0556 34.6616 174.0623 75 I 4.9374 8.6654 129.1210 59.7263 39.4767 174.8686 76 V 4.3950 9.2953 128.5304 61.3844 32.4917 175.8195 77 A 5.2381 8.9610 133.1047 51.6163 19.1673 176.3653 78 I 3.9726 8.2525 119.3930 63.0978 39.0164 178.0745 79 G 4.1789 7.9475 111.7236 44.9840 0.0000 175.0086 80 A 4.0228 9.0296 126.7118 55.1076 18.1249 179.3967 81 N 4.5543 7.9941 117.7436 53.6807 37.2749 174.8571 82 I 3.6144 8.0349 127.5556 64.1470 37.4403 177.6694 83 Q 3.9720 8.0446 118.0773 58.7395 28.5079 178.2815 84 A 3.9665 7.9256 122.0061 55.2488 18.2815 179.5884 85 S 4.0150 7.7790 111.0405 62.0115 62.5156 176.4120 86 T 3.8651 7.9740 115.7638 64.7602 67.0063 175.9816 87 L 3.9198 8.5973 122.8239 58.4128 42.1998 178.9645 88 T 3.8560 8.0619 115.7532 67.0893 68.2008 176.5290 89 T 3.8893 7.8937 116.3237 66.5728 68.8852 176.0251 90 L 4.0963 8.1640 122.2163 58.1116 42.1714 178.7575 91 L 4.0078 8.0292 119.1428 57.8348 41.2996 179.0632 92 L 4.2644 8.0186 117.1728 56.7869 40.4729 177.8783 93 K 4.2664 7.8654 120.4731 57.9213 32.2623 177.2469 94 E 4.4024 7.9693 116.9338 57.3498 29.7758 176.6919 95 L 4.4181 7.5104 117.4688 53.9379 42.0610 175.9762 96 D 4.4350 7.7497 115.6901 55.0374 38.7756 173.9027 97 I 3.7461 7.2767 119.1691 61.0729 37.3964 174.2113 98 P 4.3535 0.0000 0.0000 65.2283 31.4396 176.3695 99 N 5.3046 8.1896 115.2098 51.2243 42.4350 173.5430 100 I 4.9951 9.9403 117.8551 59.0734 40.4569 174.2729 101 W 5.5488 9.2743 127.5501 54.9006 31.6967 175.4596 102 V 5.0214 8.8744 123.5319 60.9153 34.8447 174.0946 103 K 4.5096 8.8531 128.1597 55.8513 32.9271 175.5968 104 A 4.4616 8.5560 129.6865 50.3620 19.9706 176.9251 105 Q 4.0977 9.2170 122.6491 58.6995 29.4866 175.5020 106 N 4.8999 7.6190 112.5238 51.2519 40.0087 173.4730 107 Y 4.0619 8.8397 117.3880 61.7670 38.8255 178.4818 108 Y 4.3387 7.9085 116.9456 61.1107 37.9039 177.7006 109 H 4.3324 8.6808 119.6687 59.2470 29.8718 176.7989 110 H 3.9566 8.2541 120.1518 59.2701 29.7532 177.4620 111 K 4.0743 7.7263 119.9009 59.2750 31.7698 179.4743 112 V 3.4910 7.7965 118.4814 66.1167 31.5597 177.8008 113 L 3.9402 8.0561 118.8456 57.9266 41.2722 179.2167 114 E 3.8636 8.2689 119.0278 59.4712 29.3868 179.1674 115 K 4.1514 7.7269 116.7429 59.1255 32.2122 179.2199 116 I 3.9130 7.9043 120.1020 62.7978 36.9165 176.8889 117 G 4.1432 7.4240 106.2282 45.1589 0.0000 173.6682 118 A 4.1396 7.8156 122.6336 52.2763 18.7601 178.4719 119 D 4.6484 8.6777 122.2514 56.7554 41.9138 177.2028 120 R 4.3583 7.7518 117.5976 54.9440 33.5445 173.5527 121 I 4.8144 8.2049 126.5821 59.5653 39.6306 174.7718 122 I 4.4644 8.8815 127.9306 59.8701 40.0524 174.6962 123 H 4.7273 9.0595 123.6805 52.7863 28.5319 172.7470 124 P 4.0164 0.0000 0.0000 65.4881 31.6103 176.9091 125 E 3.8988 8.0500 117.0568 59.4424 29.8323 179.1456 126 K 3.9712 7.9276 117.7938 59.5083 32.0993 178.9742 127 D 4.3362 8.7217 119.4930 57.7234 40.7309 178.6419 128 M 4.1567 8.4492 118.9812 58.3690 32.2534 178.2813 129 G 3.6690 8.0740 106.1576 48.0098 0.0000 175.9077 130 V 3.8184 7.7548 113.8185 63.4665 31.6113 178.9260 131 K 3.9987 7.8375 118.8276 59.3495 31.8500 179.3671 132 I 3.6749 8.0329 120.0503 64.4448 36.9925 178.3943 133 A 3.9954 7.9254 121.2295 55.0924 18.0322 179.4973 134 Q 3.9026 8.2143 118.4165 59.2787 28.8950 178.4188 135 S 4.1142 7.9566 115.5354 61.4605 63.1198 176.3938 136 L 4.1159 8.0708 121.6659 57.9112 41.4214 179.3281 137 S 4.0726 8.3014 113.3132 61.7398 62.3886 175.9282 138 D 4.5590 8.3842 121.4204 57.3801 40.3001 178.4552 139 E 4.1565 8.2081 117.8302 58.0243 29.4070 177.5037 140 N 4.7998 8.0737 114.9742 54.8658 40.4835 176.7569 141 V 3.7210 7.6296 117.4531 65.0236 32.1232 176.4890 142 L 4.1552 7.0145 116.6660 54.2697 42.0630 177.1879 143 N 4.5675 8.6057 121.5401 54.1884 37.4278 175.7585 *144 Y 4.2585 7.9854 120.6458 57.0422 37.7950 172.7243 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 K 8.31 4.04 0.00 1.64 1.64 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.34 7.81 8 Q 7.10 4.13 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 9 F 8.91 5.49 0.00 3.15 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 10 A 9.02 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.73 4.55 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 0.88 0.00 0.00 0.82 0.00 0.00 12 I 8.83 4.39 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.88 0.00 0.00 13 G 9.21 4.30 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 0.00 14 L 8.58 4.45 0.00 1.46 0.82 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.39 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 16 R 8.92 3.89 0.00 1.96 2.07 0.00 3.17 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 17 F 8.15 4.38 0.00 3.10 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 18 G 7.59 3.94 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 0.00 19 G 8.07 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 0.00 0.00 0.00 20 S 7.84 4.06 0.00 3.89 4.05 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 21 I 7.27 3.66 1.55 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.95 0.36 0.00 0.00 22 V 7.62 3.54 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 1.15 0.00 0.00 0.84 0.00 0.00 23 K 8.35 4.06 0.00 1.86 1.80 0.00 1.57 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.88 1.28 7.81 24 E 7.94 4.02 0.00 2.07 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 2.32 2.47 0.00 25 L 7.89 3.97 0.00 1.71 1.73 0.63 0.51 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 26 H 8.28 4.16 0.00 3.66 3.66 0.00 5.80 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 27 R 8.01 3.66 0.00 1.92 2.23 0.00 3.32 0.00 0.00 3.53 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 28 M 7.46 4.55 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 29 G 8.45 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 30 H 8.19 4.94 0.00 3.31 3.47 0.00 5.66 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 31 E 8.74 4.42 0.00 1.98 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 2.43 2.34 0.00 32 V 8.37 4.80 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 1.00 0.00 0.00 1.06 0.00 0.00 33 L 9.44 4.98 0.00 1.87 1.24 0.65 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.00 5.03 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 35 V 8.23 5.33 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 0.63 0.00 0.00 0.93 0.00 0.00 36 D 8.32 4.85 0.00 2.73 2.48 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 37 I 8.92 3.94 1.87 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 0.98 1.12 0.96 0.00 0.00 38 N 8.04 4.94 0.00 3.25 2.98 0.00 0.00 6.01 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 39 E 8.79 4.03 0.00 2.24 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 0.00 2.38 2.39 0.00 40 E 8.29 3.96 0.00 2.21 2.29 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 2.52 2.35 0.00 41 K 7.94 3.99 0.00 1.90 1.91 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.71 7.81 42 V 7.65 3.82 2.24 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 1.01 0.00 0.00 1.04 0.00 0.00 43 N 9.05 4.38 0.00 2.80 2.88 0.00 0.00 6.96 5.12 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 44 A 7.88 4.26 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 45 Y 7.82 4.57 0.00 3.07 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 46 A 8.47 4.08 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 0.00 0.00 0.00 0.00 0.00 47 S 7.99 4.18 0.00 3.57 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 48 Y 7.82 4.10 0.00 2.99 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 49 A 7.55 4.80 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 50 T 8.21 4.20 4.29 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 1.37 0.00 0.00 51 H 7.95 4.88 0.00 3.28 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.84 5.12 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 53 V 8.72 4.40 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 0.97 0.00 0.00 0.96 0.00 0.00 54 I 8.22 4.78 1.88 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 1.30 0.70 0.99 0.00 0.00 55 A 9.13 4.60 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 56 N 9.67 4.92 0.00 2.80 2.86 0.00 0.00 7.40 8.35 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 57 A 8.78 4.09 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 58 T 7.77 3.97 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 1.21 0.00 0.00 59 E 8.32 4.26 0.00 2.14 2.16 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 2.31 2.65 0.00 60 E 8.79 4.06 0.00 2.16 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 0.00 2.36 2.32 0.00 61 N 8.06 4.36 0.00 2.94 3.11 0.00 0.00 6.30 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 62 E 8.13 4.00 0.00 2.20 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 2.40 2.37 0.00 63 L 7.99 3.98 0.00 1.94 1.66 0.93 0.70 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 64 L 7.72 4.05 0.00 1.85 1.71 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.92 4.19 0.00 4.04 3.94 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 66 L 7.69 4.30 0.00 1.78 1.75 1.00 0.82 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 67 G 8.60 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 68 I 7.51 3.93 2.12 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.52 0.94 0.00 0.00 69 R 8.01 4.14 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 70 N 8.24 4.66 0.00 2.53 2.57 0.00 0.00 6.83 6.74 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 71 F 7.87 4.81 0.00 3.10 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 72 E 8.75 4.26 0.00 1.98 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 2.34 2.30 0.00 73 Y 7.99 4.99 0.00 3.21 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 74 V 8.84 4.85 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 1.00 0.00 0.00 0.91 0.00 0.00 75 I 8.67 4.94 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 1.04 0.00 0.00 76 V 9.30 4.39 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 0.96 0.00 0.00 0.97 0.00 0.00 77 A 8.96 5.24 1.47 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 78 I 8.25 3.97 1.89 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 1.37 0.86 0.92 0.00 0.00 79 G 7.95 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 0.00 0.00 0.00 0.00 80 A 9.03 4.02 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 81 N 7.99 4.55 0.00 2.77 2.75 0.00 0.00 7.11 7.40 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 82 I 8.03 3.61 1.80 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 1.56 0.55 0.56 0.00 0.00 83 Q 8.04 3.97 0.00 2.27 2.14 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 2.44 2.47 0.00 84 A 7.93 3.97 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 85 S 7.78 4.01 0.00 3.93 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 86 T 7.97 3.87 4.29 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 1.28 0.00 0.00 87 L 8.60 3.92 0.00 1.88 1.83 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.06 3.86 4.40 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 1.21 0.00 0.00 89 T 7.89 3.89 4.37 0.00 0.00 0.00 0.00 0.00 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 90 L 8.16 4.10 0.00 2.07 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.03 4.01 0.00 1.93 1.71 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.02 4.26 0.00 1.94 1.91 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.87 4.27 0.00 2.07 2.00 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.51 7.81 94 E 7.97 4.40 0.00 2.11 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 2.32 2.64 0.00 95 L 7.51 4.42 0.00 1.76 1.70 0.93 1.06 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 D 7.75 4.43 0.00 2.86 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 97 I 7.28 3.75 1.99 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 1.33 0.58 0.99 0.00 0.00 98 P 0.00 4.35 0.00 2.03 2.06 0.00 3.69 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 1.98 2.10 0.00 99 N 8.19 5.30 0.00 1.75 2.43 0.00 0.00 6.59 6.87 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 0.00 100 I 9.94 5.00 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.93 0.00 0.00 101 W 9.27 5.55 0.00 3.34 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 0.00 102 V 8.87 5.02 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 0.80 0.00 0.00 0.98 0.00 0.00 103 K 8.85 4.51 0.00 1.60 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.26 0.96 7.81 104 A 8.56 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 9.22 4.10 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 106 N 7.62 4.90 0.00 2.93 2.94 0.00 0.00 5.85 7.57 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 0.00 107 Y 8.84 4.06 0.00 2.97 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 0.00 108 Y 7.91 4.34 0.00 3.04 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 0.00 109 H 8.68 4.33 0.00 3.36 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.25 3.96 0.00 3.47 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.73 4.07 0.00 1.72 1.76 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 0.93 7.81 112 V 7.80 3.49 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 0.91 0.00 0.00 113 L 8.06 3.94 0.00 1.81 1.61 0.57 1.08 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 0.00 114 E 8.27 3.86 0.00 2.20 2.16 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 2.30 2.34 0.00 115 K 7.73 4.15 0.00 1.90 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.63 7.81 116 I 7.90 3.91 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.91 0.00 0.00 117 G 7.42 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 0.00 0.00 0.00 0.00 118 A 7.82 4.14 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 0.00 119 D 8.68 4.65 0.00 2.95 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 0.00 120 R 7.75 4.36 0.00 0.98 0.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.16 0.00 121 I 8.20 4.81 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.69 0.00 0.00 122 I 8.88 4.46 1.73 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 1.40 0.59 0.84 0.00 0.00 123 H 9.06 4.73 0.00 3.16 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.02 0.00 2.00 1.94 0.00 3.37 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.00 125 E 8.05 3.90 0.00 2.05 1.93 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 2.37 2.46 0.00 126 K 7.93 3.97 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.42 7.81 127 D 8.72 4.34 0.00 2.69 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 0.00 128 M 8.45 4.16 0.00 2.16 2.11 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 2.61 2.62 0.00 129 G 8.07 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 0.00 0.00 0.00 130 V 7.75 3.82 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 131 K 7.84 4.00 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 132 I 8.03 3.67 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 0.91 0.00 0.00 133 A 7.93 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.21 3.90 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 135 S 7.96 4.11 0.00 4.05 3.91 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 0.00 136 L 8.07 4.12 0.00 1.85 1.71 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.30 4.07 0.00 3.96 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 0.00 138 D 8.38 4.56 0.00 3.00 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 0.00 139 E 8.21 4.16 0.00 2.12 2.01 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 2.34 2.39 0.00 140 N 8.07 4.80 0.00 2.72 2.82 0.00 0.00 6.91 7.52 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 0.00 141 V 7.63 3.72 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 0.87 0.00 0.00 0.93 0.00 0.00 142 L 7.01 4.16 0.00 1.91 1.58 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.61 4.57 0.00 2.71 2.81 0.00 0.00 6.62 7.46 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 *144 Y 7.99 4.26 0.00 2.28 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.