NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.7715 8.4449 117.3750 54.7658 29.4379 172.8843 1 M 4.6069 8.2402 117.5050 54.5823 34.8826 173.8571 2 S 3.7612 9.0664 114.7075 58.7572 63.3568 170.8673 3 L 4.8555 7.8204 121.4174 54.3081 44.9447 174.6230 4 A 4.6842 9.2310 129.4953 50.6175 20.9633 175.3922 5 I 4.6378 8.3710 123.3780 59.5059 39.4352 174.6471 6 D 4.8402 9.0049 127.0123 52.6493 43.1982 174.2877 7 L 5.2409 8.4681 125.9760 53.0699 44.1507 176.0257 8 E 4.6159 8.9387 123.7524 54.9014 33.3919 173.5906 9 V 4.7990 8.4935 126.8681 61.1927 33.4698 174.9199 10 K 4.2909 8.8851 127.1900 56.5030 34.2770 177.3103 11 Q 3.2120 8.5920 119.1060 57.5991 24.3873 175.3587 12 D 4.7649 8.4164 120.1084 53.0359 38.4628 173.9336 13 V 4.8191 8.5050 120.7686 61.3313 34.8304 173.6843 14 L 4.8396 9.0304 130.4912 53.7316 44.0509 174.8246 15 I 4.8101 8.8729 127.9125 59.7843 39.4291 174.6818 16 V 4.5482 8.8425 128.3131 61.2770 33.7341 174.4693 17 R 5.0413 8.9984 128.2663 54.6728 31.9187 175.2315 18 L 5.1393 8.6565 124.6235 53.3357 44.5053 176.2754 19 S 5.3028 8.5719 116.9671 59.4376 65.1168 171.4043 20 G 3.8750 8.2703 118.2727 44.8201 0.0000 170.5968 21 E 5.1586 9.0074 123.9573 54.6227 32.1605 175.9178 22 L 4.8427 9.2400 125.9266 53.4986 44.6416 174.7441 23 D 5.8500 8.4243 124.7810 50.5892 43.6438 175.8002 24 H 4.0445 8.8997 117.1943 60.1422 29.5606 175.2768 25 H 3.8700 8.3754 119.2756 60.0798 29.7450 177.1765 26 T 3.5886 8.3884 114.1048 64.8554 67.1490 176.1569 27 A 4.0989 8.8795 123.5113 54.7812 18.2981 179.4919 28 E 3.8827 8.0007 117.0384 59.6767 29.5917 179.0950 29 E 3.9424 7.6611 118.9648 59.0089 29.6124 178.7282 30 L 3.9251 7.7061 120.1098 57.9954 42.1827 178.7502 31 R 3.9077 8.1281 118.7472 59.7171 30.0987 177.9390 32 E 3.9427 8.1983 118.1926 59.6504 29.2746 179.0809 33 Q 4.0119 7.9131 117.5094 59.2516 29.1201 179.7030 34 V 3.7767 7.9457 119.0331 66.1392 31.4405 178.1275 35 T 3.9891 8.0302 108.7108 63.8827 68.3862 175.5049 36 D 4.3713 7.9671 121.4286 57.1907 41.2761 178.1120 37 V 3.7552 7.9352 119.0002 65.6978 31.4171 177.9015 38 L 4.1155 7.2483 114.2254 57.0390 41.4255 178.4980 39 E 4.2845 7.5050 116.4281 58.0541 30.0086 177.3648 40 N 4.7297 7.9133 113.5927 53.0345 39.4736 174.8898 41 R 4.5316 7.3359 117.8351 54.3264 34.3363 175.1981 42 A 4.3156 8.3941 123.5266 51.2514 17.7977 176.3704 43 I 4.3270 7.9626 121.9268 60.7891 39.0865 175.8517 44 R 4.2392 8.8685 126.0887 58.0992 31.4950 175.5171 45 H 5.5676 7.9392 113.6925 53.9887 33.4270 172.7471 46 I 5.0694 8.3235 119.6279 59.9188 41.4090 174.5078 47 V 4.6439 9.0159 127.7716 61.1365 33.6408 174.0315 48 L 4.8754 9.4330 131.7447 53.7587 43.7130 174.9210 49 N 5.0280 9.4741 127.7780 52.0262 39.6877 174.6465 50 L 4.7743 8.4800 128.3177 54.5355 42.4223 179.9008 51 G 3.6511 8.7874 111.1802 48.3601 0.0000 175.5051 52 Q 4.5784 7.5540 119.1676 55.5017 29.7482 175.8892 53 L 4.8067 7.4633 123.3581 54.1724 41.7400 176.1221 54 T 4.1769 8.8503 124.9618 66.3230 69.0977 175.0070 55 F 4.9151 7.9994 121.2177 57.2628 43.3038 173.1189 56 M 5.0998 7.1787 121.5184 54.6652 35.3616 173.5594 57 D 4.9025 7.9888 125.3579 51.2527 42.6082 175.7390 58 A 3.9950 8.6172 118.9294 56.0540 18.0261 179.8064 59 S 4.2412 8.4778 113.2144 61.8943 62.8752 177.2090 60 G 3.7191 8.1667 108.4114 47.7812 0.0000 175.8652 61 L 4.3417 7.9551 121.1997 57.3226 41.6343 179.7663 62 G 3.5715 8.2773 106.0679 47.8954 0.0000 176.2246 63 V 3.7294 8.1447 122.8916 64.2206 31.1900 178.5200 64 I 3.7614 7.8225 120.1054 64.3557 37.0147 178.4481 65 L 4.0732 8.0978 119.3623 56.9974 41.3338 179.9205 66 G 3.6221 8.0018 106.5462 47.7879 0.0000 176.1953 67 R 4.0375 8.0122 120.4771 58.9709 30.1382 178.1453 68 Y 4.1228 8.1764 119.6467 60.9941 38.7496 178.7524 69 K 3.7941 7.8959 119.0145 59.6178 31.9690 179.2443 70 Q 3.9859 7.3408 115.5874 59.1151 28.8614 178.8907 71 I 3.9011 7.5357 120.5785 63.8239 37.2181 178.4122 72 K 3.7742 7.6388 119.4204 59.3280 31.6305 178.6576 73 N 4.5252 7.8176 114.4504 54.6487 38.4563 175.7170 74 V 4.1658 7.3677 119.7442 61.8746 32.0939 176.8871 75 G 3.8700 8.1963 105.2093 45.7318 0.0000 174.4422 76 G 4.6029 7.5879 107.1578 44.7690 0.0000 172.6797 77 Q 4.8614 8.8182 116.0892 54.5302 32.9827 173.6084 78 M 5.1010 8.6248 118.6444 53.7716 35.6035 174.1793 79 V 4.5844 8.8507 125.0644 61.1584 34.8233 174.0646 80 V 5.0388 9.0426 128.4459 61.5050 33.9309 174.1548 81 C 5.8106 9.1470 120.8447 55.4405 33.9620 172.9773 82 A 3.5642 8.2225 118.6973 53.1238 16.0409 177.7444 83 V 3.8747 7.6388 120.2446 62.4336 32.6557 176.3207 84 S 4.3380 8.2464 122.2676 57.5505 65.1011 173.3466 85 P 4.1274 0.0000 0.0000 65.4610 30.7539 178.8008 86 A 3.8738 7.8074 119.2409 55.1928 18.3404 179.7601 87 V 3.1332 7.2796 116.6891 65.7057 31.5168 178.0427 88 K 3.4920 7.8905 119.7905 59.4020 31.8524 178.6005 89 R 3.8545 8.2933 119.2407 59.4734 29.9674 178.5096 90 L 3.9645 7.3745 118.1865 57.1045 41.2856 179.5944 91 F 3.8339 7.4557 117.4613 60.5096 39.2628 177.1452 92 D 4.5394 8.4912 118.8543 57.6446 40.4382 178.4039 93 M 4.0102 8.0883 117.9311 58.8527 32.6275 178.1544 94 S 4.3137 8.1981 113.6145 59.0584 62.8950 176.3239 95 G 4.0347 8.0911 109.0670 46.1375 0.0000 174.5718 96 L 4.3894 7.8940 117.8643 55.4152 41.4756 177.1744 97 F 4.3983 7.8001 116.5786 56.9910 39.2191 176.6628 98 K 4.2092 7.9945 120.2289 58.0439 32.5148 177.1478 99 I 3.8973 6.6868 120.8325 62.6540 37.8186 175.4487 100 I 3.6243 6.8653 122.5780 62.1532 38.0167 175.4042 101 R 4.1802 8.3609 125.8096 56.2132 31.3142 175.1635 102 V 5.0063 8.4490 125.3391 61.3385 34.1331 174.1830 103 E 4.7976 9.5665 126.6123 54.5171 33.3048 177.1562 104 A 4.0104 8.5103 121.6444 54.6291 19.4579 177.3142 105 D 5.2027 7.5861 112.2513 50.4311 43.0362 175.8806 106 E 4.0226 8.7335 118.5060 59.3453 29.2966 178.6652 107 Q 4.0130 8.2476 117.7414 59.1291 28.9047 178.3387 108 F 3.9779 9.4533 118.9893 60.4566 38.8323 177.6433 109 A 4.0360 8.1707 120.1814 55.2613 18.3292 179.4794 110 L 3.9312 8.1389 117.4037 58.0252 41.5117 179.5946 111 Q 4.7290 8.7476 119.5551 58.8686 29.0984 178.2619 112 A 4.0985 8.1024 120.1831 54.7028 18.3918 178.9669 113 L 4.1426 7.4547 116.5557 56.2747 41.9711 176.9675 114 G 3.8547 7.8900 109.3399 46.1098 0.0000 174.8433 115 V 3.3718 7.2450 118.4301 65.4172 32.2228 175.4354 116 A 4.2159 7.7782 124.5472 52.3799 18.6161 177.1993 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 *0 H 8.44 4.77 0.00 2.95 2.71 0.00 7.11 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.24 4.61 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 2 S 9.07 3.76 0.00 4.14 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 3 L 7.82 4.86 0.00 1.90 1.57 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 4 A 9.23 4.68 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 5 I 8.37 4.64 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 1.25 0.69 0.93 0.00 0.00 6 D 9.00 4.84 0.00 2.79 2.65 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 7 L 8.47 5.24 0.00 1.56 1.56 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.94 4.62 0.00 2.03 1.75 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 2.21 2.26 0.00 9 V 8.49 4.80 2.09 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 0.90 0.00 0.00 0.94 0.00 0.00 10 K 8.89 4.29 0.00 1.77 1.67 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.37 7.81 11 Q 8.59 3.21 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.09 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 12 D 8.42 4.76 0.00 2.99 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 13 V 8.50 4.82 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 0.81 0.00 0.00 1.01 0.00 0.00 14 L 9.03 4.84 0.00 1.79 1.53 0.93 0.74 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 15 I 8.87 4.81 2.03 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 1.14 0.54 0.97 0.00 0.00 16 V 8.84 4.55 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 0.80 0.00 0.00 0.96 0.00 0.00 17 R 9.00 5.04 0.00 1.79 1.84 0.00 3.47 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 18 L 8.66 5.14 0.00 1.63 1.59 0.97 0.39 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 19 S 8.57 5.30 0.00 3.97 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 20 G 8.27 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 21 E 9.01 5.16 0.00 1.89 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 0.00 2.31 2.25 0.00 22 L 9.24 4.84 0.00 1.73 1.66 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.42 5.85 0.00 3.04 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 24 H 8.90 4.04 0.00 3.27 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.38 3.87 0.00 3.24 3.52 0.00 5.92 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 26 T 8.39 3.59 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 1.44 0.00 0.00 27 A 8.88 4.10 1.42 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 0.00 0.00 0.00 28 E 8.00 3.88 0.00 2.09 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 2.47 2.40 0.00 29 E 7.66 3.94 0.00 1.91 2.10 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 2.37 2.36 0.00 30 L 7.71 3.93 0.00 1.82 1.84 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.13 3.91 0.00 2.07 2.03 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 32 E 8.20 3.94 0.00 2.22 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 2.33 2.51 0.00 33 Q 7.91 4.01 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 34 V 7.95 3.78 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 1.06 0.00 0.00 1.00 0.00 0.00 35 T 8.03 3.99 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 1.29 0.00 0.00 36 D 7.97 4.37 0.00 3.09 2.78 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 37 V 7.94 3.76 2.20 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 0.98 0.00 0.00 0.94 0.00 0.00 38 L 7.25 4.12 0.00 1.86 1.71 0.95 0.89 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 39 E 7.51 4.28 0.00 2.15 1.99 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 2.30 2.62 0.00 40 N 7.91 4.73 0.00 2.68 2.85 0.00 0.00 6.66 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 41 R 7.34 4.53 0.00 1.75 1.76 0.00 3.15 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 42 A 8.39 4.32 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 43 I 7.96 4.33 1.85 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 1.29 0.92 0.91 0.00 0.00 44 R 8.87 4.24 0.00 1.79 2.00 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.24 0.00 45 H 7.94 5.57 0.00 3.09 3.24 0.00 5.62 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 46 I 8.32 5.07 1.91 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 1.13 0.77 0.99 0.00 0.00 47 V 9.02 4.64 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 1.07 0.00 0.00 0.97 0.00 0.00 48 L 9.43 4.88 0.00 1.84 1.63 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.47 5.03 0.00 2.79 2.74 0.00 0.00 6.75 6.53 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 50 L 8.48 4.77 0.00 1.76 1.62 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.79 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 0.00 0.00 0.00 52 Q 7.55 4.58 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 53 L 7.46 4.81 0.00 1.65 1.62 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.85 4.18 4.43 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 1.27 0.00 0.00 55 F 8.00 4.92 0.00 3.10 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 56 M 7.18 5.10 0.00 1.66 1.67 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 57 D 7.99 4.90 0.00 2.86 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 58 A 8.62 3.99 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 59 S 8.48 4.24 0.00 4.08 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 60 G 8.17 3.72 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 0.00 0.00 0.00 61 L 7.96 4.34 0.00 1.92 1.88 0.98 0.87 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 62 G 8.28 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 0.00 0.00 0.00 63 V 8.14 3.73 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 0.86 0.00 0.00 1.01 0.00 0.00 64 I 7.82 3.76 2.15 0.00 0.00 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 1.65 0.86 1.01 0.00 0.00 65 L 8.10 4.07 0.00 1.76 1.67 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.00 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 0.00 0.00 0.00 67 R 8.01 4.04 0.00 2.17 2.02 0.00 3.24 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 68 Y 8.18 4.12 0.00 2.92 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 69 K 7.90 3.79 0.00 1.93 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.80 7.81 70 Q 7.34 3.99 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 71 I 7.54 3.90 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 0.90 0.00 0.00 72 K 7.64 3.77 0.00 1.61 1.64 0.00 1.39 0.00 0.00 1.27 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.39 0.88 7.81 73 N 7.82 4.53 0.00 2.65 2.83 0.00 0.00 6.76 7.28 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 74 V 7.37 4.17 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 0.92 0.00 0.00 0.88 0.00 0.00 75 G 8.20 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 76 G 7.59 4.60 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 77 Q 8.82 4.86 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 78 M 8.62 5.10 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 79 V 8.85 4.58 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 0.95 0.00 0.00 0.96 0.00 0.00 80 V 9.04 5.04 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 1.23 0.00 0.00 1.07 0.00 0.00 81 C 9.15 5.81 0.00 2.92 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 82 A 8.22 3.56 1.42 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 0.00 0.00 0.00 83 V 7.64 3.87 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 0.50 0.00 0.00 1.01 0.00 0.00 84 S 8.25 4.34 0.00 4.01 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 85 P 0.00 4.13 0.00 2.12 2.08 0.00 3.54 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 2.06 2.09 0.00 86 A 7.81 3.87 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 87 V 7.28 3.13 1.81 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 -0.01 0.00 0.00 0.69 0.00 0.00 88 K 7.89 3.49 0.00 1.78 1.80 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.26 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.43 7.81 89 R 8.29 3.85 0.00 1.90 1.96 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 90 L 7.37 3.96 0.00 1.65 1.61 0.75 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.46 3.83 0.00 2.92 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 92 D 8.49 4.54 0.00 2.64 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 93 M 8.09 4.01 0.00 1.95 2.21 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 2.55 0.00 94 S 8.20 4.31 0.00 4.15 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 95 G 8.09 4.03 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 0.00 96 L 7.89 4.39 0.00 1.81 1.58 0.94 0.56 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 97 F 7.80 4.40 0.00 2.85 2.85 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 98 K 7.99 4.21 0.00 1.85 1.93 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.41 7.81 99 I 6.69 3.90 1.35 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.37 0.79 0.00 0.00 100 I 6.87 3.62 1.44 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.36 0.89 0.00 0.00 101 R 8.36 4.18 0.00 2.04 2.03 0.00 3.12 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 102 V 8.45 5.01 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 1.04 0.00 0.00 1.14 0.00 0.00 103 E 9.57 4.80 0.00 1.93 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 2.29 2.55 0.00 104 A 8.51 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.59 5.20 0.00 2.88 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 0.00 106 E 8.73 4.02 0.00 2.09 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 2.42 2.45 0.00 107 Q 8.25 4.01 0.00 2.68 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 108 F 9.45 3.98 0.00 3.15 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 0.00 109 A 8.17 4.04 1.43 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 0.00 0.00 110 L 8.14 3.93 0.00 1.91 1.84 0.94 0.77 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 0.00 111 Q 8.75 4.73 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 112 A 8.10 4.10 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.45 4.14 0.00 1.80 1.64 0.92 1.20 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 0.00 114 G 7.89 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 0.00 115 V 7.24 3.37 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 116 A 7.78 4.22 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 * Residues marked with a * may have inaccurate shift predictions.