NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5922 8.1633 120.5975 55.7229 34.0652 173.7791 2 Y 4.9901 8.7555 120.2213 55.8681 40.6829 173.5951 3 L 5.2335 9.5683 123.0126 52.8851 46.0180 176.0601 4 T 4.5985 9.1337 112.0643 61.4789 70.0543 175.2545 5 L 3.4080 8.8656 123.4587 58.2521 42.0396 178.6643 6 Q 3.9516 8.0959 118.7545 59.5160 28.8239 178.0756 7 E 3.9745 8.3361 118.4346 59.1984 29.8975 178.9831 8 W 4.0693 8.5063 128.8419 60.3803 30.5220 177.6682 9 N 4.1036 8.4350 116.8711 56.3357 38.1807 176.7080 10 A 3.9986 7.9421 121.2338 54.0022 18.4676 178.6645 11 R 4.3283 6.9797 113.9287 55.1913 30.7867 176.3795 12 Q 4.0593 6.8065 118.4688 54.9240 29.6653 176.5089 13 R 3.9116 8.0945 117.9713 59.0076 30.2081 177.1923 14 R 4.5418 7.5300 115.2708 53.4808 33.4599 173.4511 15 P 4.5240 0.0000 0.0000 62.7746 31.9947 176.0559 16 R 4.5870 8.2679 120.9582 54.0574 32.9647 176.4774 17 S 4.2472 8.1051 113.1264 58.6462 64.7830 175.0171 18 L 3.9479 8.4303 123.6651 58.0998 41.5444 179.5079 19 E 3.9147 8.0360 118.7434 59.3746 29.5706 178.9489 20 T 3.6115 7.4544 115.4637 66.4689 68.6133 176.9757 21 V 2.9226 7.1600 119.7300 65.6425 31.3683 178.3158 22 R 3.9098 8.0370 118.0573 59.2309 29.9446 178.9288 23 R 3.8928 7.7966 118.0673 59.1483 29.9523 178.4838 24 W 4.4585 8.1636 118.9375 59.9103 29.0509 178.6769 25 V 3.3054 7.6385 117.7221 65.9604 30.6915 178.3196 26 R 3.9925 8.0829 116.9526 58.6457 29.9219 177.8413 27 E 4.4002 7.7628 115.6317 55.1024 30.1494 175.8865 28 S 3.4966 7.6302 113.9449 59.8612 60.8392 172.6610 29 R 4.4042 7.9893 118.7227 56.6526 31.4190 176.8078 30 I 4.8995 7.1067 120.4855 59.3277 40.1712 174.5336 31 F 5.0454 9.0682 124.8873 54.7100 42.5546 172.9352 32 P 4.8778 0.0000 0.0000 61.9184 32.1353 174.3462 33 P 4.1493 0.0000 0.0000 61.3293 31.8253 174.6018 34 P 4.4362 0.0000 0.0000 62.4184 32.3305 175.5628 35 V 4.4029 8.0739 120.1931 61.1009 34.6951 174.9122 36 K 4.2775 8.6710 128.9822 55.5540 31.4359 175.3055 37 D 4.4582 8.8585 126.7267 53.7945 41.3767 178.5870 38 G 3.8077 9.2107 120.3320 45.4696 0.0000 172.0730 39 R 4.4918 9.0990 116.5003 55.2549 31.5200 175.7929 40 E 4.7563 7.7406 116.8939 54.7633 33.1321 174.6305 41 Y 4.8244 8.6986 119.1666 57.9264 38.9760 174.7419 42 L 5.1609 9.0296 123.5085 53.2546 44.1434 175.4844 43 F 4.7803 9.6515 123.8254 56.3429 40.8360 175.1919 44 H 3.8534 8.9154 123.2599 55.7909 30.4211 176.0754 45 E 4.1250 8.0945 122.9617 58.8309 29.5016 177.9841 46 S 4.4456 8.0573 112.0853 58.8911 63.8291 174.0766 47 A 4.6175 8.0813 124.2789 52.4794 18.8918 177.5268 48 V 4.9316 8.8140 113.6987 59.2986 36.5639 174.8591 49 K 4.4983 9.1480 125.9516 56.8177 32.4465 176.7098 50 V 4.1985 8.2585 121.0363 61.0994 32.9595 175.8418 51 D 4.2630 7.6225 123.3737 56.3305 43.1273 174.5358 *52 L 4.5702 8.0276 117.8875 55.0575 44.6414 170.3504 *53 N 4.3623 8.0227 122.1470 54.5124 42.6743 172.2236 *54 R 4.2544 8.7751 113.8098 59.0630 30.3779 170.2604 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 1 M 8.16 4.59 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 2 Y 8.76 4.99 0.00 2.95 2.94 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 3 L 9.57 5.23 0.00 1.57 1.62 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.13 4.60 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 1.33 0.00 0.00 5 L 8.87 3.41 0.00 2.00 1.82 1.13 0.61 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 6 Q 8.10 3.95 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 7 E 8.34 3.97 0.00 2.19 2.03 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 2.36 2.34 0.00 8 W 8.51 4.07 0.00 3.02 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 9 N 8.44 4.10 0.00 3.09 2.97 0.00 0.00 7.11 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 10 A 7.94 4.00 1.31 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 0.00 0.00 11 R 6.98 4.33 0.00 1.69 1.80 0.00 3.09 0.00 0.00 3.17 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 12 Q 6.81 4.06 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.74 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 13 R 8.09 3.91 0.00 1.75 1.99 0.00 3.18 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 14 R 7.53 4.54 0.00 1.75 1.81 0.00 3.37 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 15 P 0.00 4.52 0.00 2.14 2.15 0.00 3.71 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 1.96 1.94 0.00 16 R 8.27 4.59 0.00 1.54 1.77 0.00 3.39 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 17 S 8.11 4.25 0.00 3.99 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 18 L 8.43 3.95 0.00 1.69 1.77 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.91 0.00 2.04 1.88 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 2.35 2.42 0.00 20 T 7.45 3.61 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 21 V 7.16 2.92 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 1.33 0.00 0.00 0.82 0.00 0.00 22 R 8.04 3.91 0.00 2.07 2.02 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 23 R 7.80 3.89 0.00 1.89 2.05 0.00 3.16 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 24 W 8.16 4.46 0.00 3.69 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 25 V 7.64 3.31 1.77 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 0.07 0.00 0.00 0.46 0.00 0.00 26 R 8.08 3.99 0.00 1.98 2.00 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 27 E 7.76 4.40 0.00 2.09 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 2.32 2.55 0.00 28 S 7.63 3.50 0.00 3.99 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.99 4.40 0.00 1.89 1.74 0.00 3.07 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 30 I 7.11 4.90 1.41 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.64 0.00 0.00 31 F 9.07 5.05 0.00 2.95 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 32 P 0.00 4.88 0.00 2.06 2.08 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 33 P 0.00 4.15 0.00 1.98 1.73 0.00 3.33 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 34 P 0.00 4.44 0.00 1.28 1.38 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.49 0.00 35 V 8.07 4.40 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 0.99 0.00 0.00 0.93 0.00 0.00 36 K 8.67 4.28 0.00 1.51 1.55 0.00 1.61 0.00 0.00 1.39 0.00 0.00 2.40 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.05 0.46 7.81 37 D 8.86 4.46 0.00 2.77 2.54 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 0.00 0.00 0.00 0.00 38 G 9.21 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 39 R 9.10 4.49 0.00 1.83 1.95 0.00 2.96 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 40 E 7.74 4.76 0.00 2.02 2.03 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 2.33 2.30 0.00 41 Y 8.70 4.82 0.00 3.11 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 42 L 9.03 5.16 0.00 1.65 1.77 0.83 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.65 4.78 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.92 3.85 0.00 3.01 3.11 0.00 5.68 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.09 4.12 0.00 2.15 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 0.00 2.11 2.14 0.00 46 S 8.06 4.45 0.00 4.08 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 0.00 47 A 8.08 4.62 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.93 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 0.81 0.00 0.00 1.04 0.00 0.00 49 K 9.15 4.50 0.00 1.74 1.60 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.81 7.81 50 V 8.26 4.20 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 0.71 0.00 0.00 1.09 0.00 0.00 51 D 7.62 4.26 0.00 2.52 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.57 0.00 1.68 1.40 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *53 N 8.02 4.36 0.00 2.68 2.57 0.00 0.00 6.65 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 *54 R 8.78 4.25 0.00 1.90 1.76 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.00 * Residues marked with a * may have inaccurate shift predictions.