NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0235 8.0549 120.3942 62.2569 32.6679 174.9351 3 L 4.1183 8.3806 126.6344 52.4842 41.9287 176.3792 4 S 4.3612 9.0105 119.8116 58.1361 65.8558 174.8817 5 Q 3.9187 8.5190 122.5756 59.1887 28.7814 178.0795 6 R 3.9056 7.9866 119.2215 59.8497 30.1548 178.4440 7 Q 4.0792 8.0051 117.2553 58.7959 28.6272 178.6388 8 R 3.9290 8.3590 120.1974 59.5642 30.0553 178.3639 9 D 4.4050 8.3046 118.7329 57.2786 40.7534 178.6720 10 E 4.1442 8.1647 120.6146 58.7181 29.4482 179.0872 11 L 4.0334 8.1586 120.4147 58.3415 42.1820 178.7138 12 N 4.5515 8.6125 116.8350 56.5817 38.4289 177.6053 13 R 3.7892 8.1803 119.3750 58.9943 29.9379 178.9779 14 A 4.2151 8.0267 120.6692 55.2036 18.4139 179.8386 15 I 3.6599 8.1615 118.2733 64.3493 37.1551 178.3242 16 A 4.4277 8.6783 122.1204 55.6596 18.3038 179.2453 17 D 4.2564 8.4937 116.4982 57.4626 41.3708 177.7543 18 Y 4.0208 8.1931 120.2141 60.6022 38.8304 178.1477 19 L 4.1538 8.1871 119.8154 57.8094 41.6695 179.4604 20 R 3.7228 8.0831 120.1321 58.8613 29.7338 178.7879 21 S 4.0593 7.9672 112.3999 60.3670 63.0847 174.9862 22 N 4.5548 7.5485 117.6012 52.4098 38.7026 175.5434 23 G 3.7167 7.6165 108.8855 45.6818 0.0000 175.2445 24 Y 4.4985 7.4087 119.9464 57.0185 34.6905 175.8643 25 E 4.1796 7.9034 122.8187 59.0353 30.3662 178.4073 26 E 4.0853 8.2442 118.8996 59.2094 29.7496 178.4697 27 A 4.0710 8.1400 120.4239 55.1944 18.4515 178.7894 28 Y 4.2738 8.1758 117.9561 61.2264 38.7583 178.5125 29 S 3.9107 8.3199 116.0616 61.5667 62.8995 177.0195 30 V 3.6052 8.0197 120.9593 65.8159 31.2653 177.9230 31 F 4.3213 8.6153 120.8432 61.2644 39.2142 177.1109 32 K 3.5740 7.9518 118.1000 59.3047 31.6369 179.4807 33 K 3.8632 7.5893 118.3616 59.6044 31.8133 179.4176 34 E 3.8447 8.0756 117.2000 58.9607 29.4530 177.8614 35 A 4.0935 7.9954 119.2217 51.4535 19.7300 176.4539 36 E 3.6207 7.0824 115.0359 57.1379 27.3729 175.0720 37 L 4.3987 7.8362 118.7024 53.3607 43.7994 175.5388 38 D 4.6316 8.1854 126.9185 53.2200 43.0124 175.7160 *40 N 4.7228 8.4412 115.2917 53.3197 40.7311 174.6801 41 E 4.4955 8.2387 118.6478 55.0711 31.0261 177.3474 42 E 3.9932 8.8360 121.7235 59.4600 30.1686 178.9468 43 L 3.9293 8.2678 119.8044 58.7162 41.9476 178.6238 44 D 4.8849 8.1226 117.5999 57.0051 40.8298 178.8190 45 K 4.1856 8.2930 119.4278 58.6954 31.7554 178.9803 46 K 3.8627 7.8835 118.8156 60.1251 32.4964 177.9115 47 Y 4.3682 7.9556 115.3757 57.4890 37.7540 174.9034 48 A 4.5784 6.9041 123.4113 53.0268 18.7002 178.3058 49 G 4.0382 9.0869 110.7575 46.4035 0.0000 174.9306 50 L 3.9677 8.0310 122.0346 58.0125 41.9869 178.5154 51 L 4.0059 8.0264 119.7784 58.3495 41.9203 178.5805 52 E 4.0529 8.2744 116.7226 59.1931 29.5878 178.8642 53 K 4.1407 8.1543 119.6041 59.6565 32.4966 179.0689 54 K 4.0168 8.3777 118.9141 59.1923 31.7451 178.9189 55 W 4.4157 8.4563 128.3846 60.0884 30.4846 177.1076 56 T 4.4121 7.5167 106.7397 61.7554 68.8729 175.6605 57 S 4.5687 7.7678 117.8905 59.4029 63.5935 176.4391 58 V 3.5127 7.4945 121.3993 65.9940 31.2703 177.7920 59 I 3.6323 7.5545 118.9676 64.3437 37.0729 178.0027 60 R 3.8597 8.0019 119.0405 59.7231 29.7310 178.3609 61 L 4.0329 8.2216 118.7576 57.6510 41.3625 179.4433 62 Q 3.9600 8.0447 117.4197 58.9415 28.7580 178.6223 63 K 4.0720 8.0451 118.4482 59.3944 32.3158 179.0042 64 K 4.1265 8.1807 119.8594 59.2601 31.9886 179.2027 65 V 3.7382 7.7425 114.9622 64.0295 31.3096 176.8647 *67 E 4.2051 8.0512 118.9880 55.9500 31.2993 177.9012 68 L 3.9944 8.1180 118.7027 57.7507 41.6422 178.9802 69 E 3.9106 8.3779 118.8078 59.6732 29.3057 179.6405 70 S 4.0507 7.9266 112.2674 61.3670 62.5553 176.0992 71 K 3.9121 8.1350 121.2783 59.3549 31.7654 179.1504 72 L 3.8935 8.2261 120.9007 58.1019 41.9673 178.5067 73 N 4.2213 8.1893 117.0542 56.6192 38.7974 176.4207 74 E 3.8189 8.5142 120.8968 59.2501 29.4973 178.7010 75 A 4.4638 7.8902 121.5011 54.5016 18.4476 179.4056 76 K 3.8440 7.7439 116.3940 59.1661 32.2196 179.1183 77 E 3.6392 7.9218 118.5649 58.6460 30.2447 177.5631 78 E 4.4314 8.5822 119.1115 58.7913 29.8450 176.7151 79 F 4.2212 7.2704 122.0687 57.3712 38.5979 176.2788 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 2 V 8.05 4.02 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 1.00 0.00 0.00 0.94 0.00 0.00 3 L 8.38 4.12 0.00 1.78 1.63 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 S 9.01 4.36 0.00 4.08 4.02 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 5 Q 8.52 3.92 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 6 R 7.99 3.91 0.00 1.93 1.94 0.00 3.26 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 7 Q 8.01 4.08 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 8 R 8.36 3.93 0.00 1.97 2.20 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 9 D 8.30 4.40 0.00 3.02 2.70 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 10 E 8.16 4.14 0.00 2.32 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 2.53 2.56 0.00 11 L 8.16 4.03 0.00 1.82 1.87 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.61 4.55 0.00 2.89 2.93 0.00 0.00 7.09 7.23 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 13 R 8.18 3.79 0.00 0.89 0.69 0.00 2.98 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 14 A 8.03 4.22 1.57 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 15 I 8.16 3.66 2.07 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.45 0.00 0.00 16 A 8.68 4.43 1.69 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 0.00 0.00 17 D 8.49 4.26 0.00 3.03 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 18 Y 8.19 4.02 0.00 3.27 3.16 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 19 L 8.19 4.15 0.00 2.15 2.07 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.08 3.72 0.00 0.67 1.33 0.00 2.97 0.00 0.00 2.90 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.00 21 S 7.97 4.06 0.00 3.97 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 22 N 7.55 4.55 0.00 2.36 2.42 0.00 0.00 7.18 7.04 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 23 G 7.62 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 24 Y 7.41 4.50 0.00 3.13 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 25 E 7.90 4.18 0.00 2.02 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 0.00 2.50 2.29 0.00 26 E 8.24 4.09 0.00 2.12 2.00 0.00 0.00 0.00 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 2.48 0.00 27 A 8.14 4.07 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 28 Y 8.18 4.27 0.00 3.12 3.28 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 29 S 8.32 3.91 0.00 4.05 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 30 V 8.02 3.61 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 1.03 0.00 0.00 1.08 0.00 0.00 31 F 8.62 4.32 0.00 3.21 3.21 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 32 K 7.95 3.57 0.00 1.65 1.60 0.00 1.62 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.18 1.00 7.81 33 K 7.59 3.86 0.00 1.91 1.79 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.40 7.81 34 E 8.08 3.84 0.00 2.17 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 2.35 2.26 0.00 35 A 8.00 4.09 0.68 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 0.00 0.00 36 E 7.08 3.62 0.00 1.95 1.89 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 2.20 2.15 0.00 37 L 7.84 4.40 0.00 1.22 1.29 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.19 4.63 0.00 2.67 2.60 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 *40 N 8.44 4.72 0.00 2.75 2.93 0.00 0.00 6.79 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 E 8.24 4.50 0.00 2.27 1.89 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 2.32 2.30 0.00 42 E 8.84 3.99 0.00 2.01 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 0.00 2.42 2.26 0.00 43 L 8.27 3.93 0.00 1.79 1.77 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.12 4.88 0.00 3.03 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 45 K 8.29 4.19 0.00 1.97 1.88 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.57 7.81 46 K 7.88 3.86 0.00 1.77 2.00 0.00 1.36 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.60 0.74 7.81 47 Y 7.96 4.37 0.00 3.27 3.12 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 0.00 0.00 0.00 48 A 6.90 4.58 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 49 G 9.09 4.04 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 0.00 0.00 0.00 50 L 8.03 3.97 0.00 1.89 1.92 0.93 0.53 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 51 L 8.03 4.01 0.00 2.00 1.71 0.91 0.57 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 52 E 8.27 4.05 0.00 2.23 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 0.00 2.54 2.67 0.00 53 K 8.15 4.14 0.00 1.95 2.02 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 54 K 8.38 4.02 0.00 1.93 1.91 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.65 7.81 55 W 8.46 4.42 0.00 3.38 3.33 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 56 T 7.52 4.41 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 1.43 0.00 0.00 57 S 7.77 4.57 0.00 4.06 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 58 V 7.49 3.51 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 1.07 0.00 0.00 0.83 0.00 0.00 59 I 7.55 3.63 1.82 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 1.47 0.38 0.88 0.00 0.00 60 R 8.00 3.86 0.00 1.86 2.08 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 61 L 8.22 4.03 0.00 1.78 1.68 0.91 1.35 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 62 Q 8.04 3.96 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 63 K 8.05 4.07 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 64 K 8.18 4.13 0.00 1.98 1.98 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 65 V 7.74 3.74 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 1.00 0.00 0.00 0.97 0.00 0.00 *67 E 8.05 4.21 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 2.26 2.33 0.00 68 L 8.12 3.99 0.00 1.71 1.68 0.91 0.95 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 69 E 8.38 3.91 0.00 1.98 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 2.47 0.00 70 S 7.93 4.05 0.00 3.87 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 71 K 8.13 3.91 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 72 L 8.23 3.89 0.00 1.92 1.77 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.19 4.22 0.00 2.77 2.93 0.00 0.00 6.89 7.01 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 74 E 8.51 3.82 0.00 2.16 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 0.00 2.28 2.45 0.00 75 A 7.89 4.46 1.32 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 76 K 7.74 3.84 0.00 1.71 1.61 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 77 E 7.92 3.64 0.00 2.01 1.92 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 2.25 2.34 0.00 78 E 8.58 4.43 0.00 1.97 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 2.28 2.34 0.00 79 F 7.27 4.22 0.00 3.04 2.92 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 * Residues marked with a * may have inaccurate shift predictions.