NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2843 8.3449 119.6691 56.1806 30.1640 173.4427 5 H 4.8268 8.1489 114.8071 52.8158 32.7701 171.1543 6 P 4.4852 0.0000 0.0000 63.1426 32.8445 176.4520 7 T 4.1036 8.7484 119.6724 63.7023 69.9747 173.3520 8 I 4.7929 8.2076 125.7140 60.1415 39.0831 174.5415 9 H 4.9966 9.4514 125.1953 54.2995 31.3387 173.7381 10 T 5.1467 8.6106 119.3277 61.9575 70.2385 173.7372 11 L 4.9874 9.2281 126.0866 52.8691 46.2508 175.6360 12 K 5.0998 8.5953 120.4403 55.3309 33.8975 175.9656 13 I 4.7700 8.9209 123.8202 59.1710 41.5310 174.6718 14 E 5.1705 9.0542 127.7307 55.9689 30.4607 177.7153 15 T 4.0331 8.8229 118.9610 67.1054 68.5808 176.0766 16 E 3.7521 8.0979 120.3033 59.5501 29.4025 178.8492 17 F 4.3582 7.7106 116.9131 60.0408 39.0923 177.3889 18 F 4.1454 8.7406 120.8783 61.3152 39.2057 177.0234 19 K 3.8498 8.5573 119.1667 59.6165 31.9573 178.5631 20 A 3.9789 7.8967 120.5301 54.9450 18.2556 179.8806 21 V 3.7760 7.9492 118.4722 65.6936 31.4401 178.4534 22 K 3.8076 7.7471 117.1518 59.2214 31.0842 178.3611 23 E 4.1741 8.2747 116.7545 55.8971 29.3543 177.2884 24 R 4.0573 7.5618 116.8686 57.3282 28.3357 177.7085 25 R 4.0782 7.4757 119.1835 57.5272 30.7257 176.8009 26 K 4.2602 8.0733 120.6646 55.1394 32.5838 175.7374 27 T 4.8304 8.2755 117.2241 60.9211 70.0193 173.2046 28 F 5.4587 7.3091 114.9401 56.5343 41.5011 172.9911 29 E 4.6019 9.4628 118.6840 54.7195 33.0812 174.8563 30 I 4.9270 8.4818 125.4810 60.0769 38.5460 175.3550 31 R 4.8388 8.9023 125.1164 54.1805 35.0577 174.8613 32 K 3.7348 8.4970 121.3053 56.0801 32.5284 177.7422 33 N 4.7838 8.9977 126.6908 52.4615 37.2902 174.3887 34 D 4.6948 7.6375 115.2413 53.2012 40.3744 177.8658 35 R 4.0933 7.3209 116.4930 55.1775 31.4342 174.9102 36 N 4.0975 7.9888 115.3207 54.3223 37.0700 174.2800 37 F 4.5062 8.4007 116.3827 58.0607 40.2525 175.7036 38 Q 4.6513 9.1853 122.4530 53.5562 32.6214 175.0264 39 V 3.9187 8.2996 120.4922 64.8024 31.9255 175.9164 40 G 4.1335 9.3780 115.6057 44.9951 0.0000 173.7435 41 D 4.7750 8.2260 119.2479 54.6573 42.4495 175.3649 42 I 4.9256 8.6877 121.5445 59.7317 39.8926 174.6001 43 L 5.2288 9.2366 126.8141 53.1806 44.2702 175.4706 44 I 4.6732 9.0656 125.5679 60.0347 38.9146 174.7999 45 L 5.1674 9.1796 129.1908 53.3545 43.4351 175.5247 46 E 5.0603 9.2915 125.0391 54.6255 31.8187 175.1391 47 E 4.2733 8.7275 126.6529 56.4020 30.8591 174.8580 48 Y 4.4896 8.6545 125.9531 56.0226 42.2806 175.1212 *50 N 4.4820 8.5383 113.0890 54.2170 40.4551 174.4366 51 G 3.5824 8.0986 101.1442 46.0140 0.0000 173.3700 *53 Y 3.4461 7.2358 116.5750 57.4099 40.0329 174.1789 54 L 4.1466 7.7415 126.2833 53.6863 42.0188 175.8367 55 D 3.7347 6.0500 115.5131 54.2737 39.5729 172.2711 56 D 4.8463 6.7586 114.3052 53.3239 45.0554 173.2505 57 E 5.5915 8.5576 119.2498 56.1440 32.4477 173.3660 58 C 4.9948 9.3604 114.8109 56.9442 34.0756 172.0432 59 E 5.3088 8.7408 118.8059 54.4581 32.4556 174.2105 60 A 4.9077 8.9747 126.8919 50.2824 22.9442 174.3605 61 E 4.7527 8.7031 121.7892 54.8803 31.9303 175.5263 62 V 4.2411 9.0395 127.6520 62.9901 31.9254 175.9969 63 I 4.4985 8.6452 121.9388 61.3433 38.9210 175.0448 64 Y 4.8028 7.6382 122.6027 56.8403 42.1219 172.7515 65 I 4.9959 7.1387 124.5896 59.8821 41.2964 173.7438 66 T 4.6956 8.7775 122.7086 60.4839 71.3166 173.4376 67 D 5.0097 8.6256 125.0977 52.9199 39.9594 174.9767 68 Y 4.0223 7.9257 121.0890 59.6039 38.7731 175.7633 69 A 3.4816 8.1046 127.5070 52.8765 16.4950 176.6952 70 Q 4.4088 7.8449 116.0142 55.4611 30.2245 176.2803 71 R 4.0893 8.0814 118.6548 55.6662 30.7946 176.0437 72 E 4.1521 8.6427 120.8190 58.2009 29.8644 177.5263 73 G 3.9320 9.1447 114.0881 45.5169 0.0000 172.2381 74 Y 4.9268 7.7566 116.9628 56.8749 39.6665 175.1624 75 V 4.7885 8.6116 115.0439 59.8127 37.0189 174.4116 76 V 4.7546 8.6975 122.8089 61.4350 33.4825 174.4135 77 L 4.8340 9.0114 129.2692 53.2500 43.2877 176.1811 78 G 4.3291 9.2323 113.4219 45.9495 0.0000 172.3173 79 I 5.1575 8.7883 118.7969 58.9321 40.7578 174.7090 80 E 4.5427 9.0634 126.2094 53.9812 31.6579 174.7166 81 L 4.3175 8.6017 129.7607 55.7090 42.9792 176.4239 82 H 4.7368 8.8084 122.3014 55.9713 28.5265 174.7531 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 4 Q 8.34 4.28 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 5 H 8.15 4.83 0.00 3.17 3.15 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 6 P 0.00 4.49 0.00 1.98 2.14 0.00 3.74 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 2.07 2.16 0.00 7 T 8.75 4.10 4.35 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 0.93 0.00 0.00 8 I 8.21 4.79 1.87 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 1.37 0.57 0.94 0.00 0.00 9 H 9.45 5.00 0.00 3.19 3.30 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.61 5.15 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 1.28 0.00 0.00 11 L 9.23 4.99 0.00 1.59 1.57 1.03 0.79 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 12 K 8.60 5.10 0.00 1.47 1.39 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.13 1.26 7.81 13 I 8.92 4.77 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 1.30 0.00 0.00 14 E 9.05 5.17 0.00 2.40 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 2.56 2.41 0.00 15 T 8.82 4.03 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 1.31 0.00 0.00 16 E 8.10 3.75 0.00 1.73 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 1.88 2.15 0.00 17 F 7.71 4.36 0.00 3.30 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 18 F 8.74 4.15 0.00 3.14 3.22 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 19 K 8.56 3.85 0.00 1.98 2.03 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 20 A 7.90 3.98 1.38 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 0.00 0.00 0.00 21 V 7.95 3.78 2.05 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 1.20 0.00 0.00 0.88 0.00 0.00 22 K 7.75 3.81 0.00 1.68 1.70 0.00 1.52 0.00 0.00 1.23 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.74 0.94 7.81 23 E 8.27 4.17 0.00 2.04 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 2.39 0.00 24 R 7.56 4.06 0.00 1.95 2.00 0.00 3.13 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 25 R 7.48 4.08 0.00 2.07 1.97 0.00 3.13 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 26 K 8.07 4.26 0.00 1.66 1.47 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.99 0.55 7.81 27 T 8.28 4.83 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 1.22 0.00 0.00 28 F 7.31 5.46 0.00 3.15 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 29 E 9.46 4.60 0.00 1.74 1.74 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 2.13 2.34 0.00 30 I 8.48 4.93 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 1.00 0.00 0.00 31 R 8.90 4.84 0.00 1.64 1.84 0.00 3.38 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 32 K 8.50 3.73 0.00 1.44 1.52 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.37 1.05 7.81 33 N 9.00 4.78 0.00 2.70 2.77 0.00 0.00 7.15 6.32 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 34 D 7.64 4.69 0.00 2.74 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 35 R 7.32 4.09 0.00 0.67 1.39 0.00 3.37 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.08 0.00 36 N 7.99 4.10 0.00 2.72 2.74 0.00 0.00 7.10 7.02 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 37 F 8.40 4.51 0.00 3.03 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 38 Q 9.19 4.65 0.00 2.27 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 39 V 8.30 3.92 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 0.85 0.00 0.00 0.91 0.00 0.00 40 G 9.38 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 0.00 0.00 0.00 41 D 8.23 4.77 0.00 2.87 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 42 I 8.69 4.93 1.92 0.00 0.00 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 1.29 0.96 0.96 0.00 0.00 43 L 9.24 5.23 0.00 1.56 1.63 0.84 0.84 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 44 I 9.07 4.67 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 1.00 0.00 0.00 45 L 9.18 5.17 0.00 1.73 1.80 0.94 0.76 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 E 9.29 5.06 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 2.41 2.38 0.00 47 E 8.73 4.27 0.00 1.16 1.12 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 1.96 1.80 0.00 48 Y 8.65 4.49 0.00 2.94 2.87 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 *50 N 8.54 4.48 0.00 2.77 2.90 0.00 0.00 6.91 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 51 G 8.10 3.58 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 0.00 0.00 0.00 *53 Y 7.24 3.45 0.00 2.37 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 54 L 7.74 4.15 0.00 1.33 1.34 0.80 0.91 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 55 D 6.05 3.73 0.00 2.43 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 56 D 6.76 4.85 0.00 2.62 2.21 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 57 E 8.56 5.59 0.00 2.24 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 2.27 2.32 0.00 58 C 9.36 4.99 0.00 2.93 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 59 E 8.74 5.31 0.00 2.08 1.84 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 2.28 2.31 0.00 60 A 8.97 4.91 1.14 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 61 E 8.70 4.75 0.00 2.10 1.84 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 2.29 2.40 0.00 62 V 9.04 4.24 2.25 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 0.90 0.00 0.00 0.97 0.00 0.00 63 I 8.65 4.50 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 1.28 0.90 1.01 0.00 0.00 64 Y 7.64 4.80 0.00 3.07 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 65 I 7.14 5.00 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.78 0.00 0.00 66 T 8.78 4.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 67 D 8.63 5.01 0.00 2.95 2.87 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 68 Y 7.93 4.02 0.00 3.00 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 69 A 8.10 3.48 1.09 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 0.00 0.00 70 Q 7.84 4.41 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.88 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 71 R 8.08 4.09 0.00 1.64 1.85 0.00 2.72 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 72 E 8.64 4.15 0.00 1.96 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 2.33 2.35 0.00 73 G 9.14 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 0.00 0.00 0.00 74 Y 7.76 4.93 0.00 3.11 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 75 V 8.61 4.79 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 0.84 0.00 0.00 1.01 0.00 0.00 76 V 8.70 4.75 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 0.98 0.00 0.00 0.95 0.00 0.00 77 L 9.01 4.83 0.00 1.56 1.45 -0.13 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 78 G 9.23 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 0.00 0.00 0.00 0.00 79 I 8.79 5.16 1.85 0.00 0.00 0.80 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 0.75 0.88 0.00 0.00 80 E 9.06 4.54 0.00 2.03 1.86 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 2.22 2.23 0.00 81 L 8.60 4.32 0.00 1.63 1.53 0.84 1.02 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 82 H 8.81 4.74 0.00 3.16 3.17 0.00 5.76 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 * Residues marked with a * may have inaccurate shift predictions.