NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2922 8.4293 121.4694 55.5130 31.5207 176.4715 5 P 4.1422 0.0000 0.0000 61.5126 31.7093 174.1139 6 C 4.0811 8.4698 121.8091 60.1072 32.6999 174.4966 7 V 4.2691 8.2986 125.9229 61.8788 31.3947 175.7938 8 E 4.7607 7.7507 118.2271 56.6657 30.4699 176.6279 9 S 4.4487 8.2739 114.2926 59.3267 64.9834 174.4991 10 L 4.5740 7.3741 118.3463 53.4505 41.6716 176.4572 *12 S 4.1192 7.6546 110.6138 57.6256 64.2345 174.9112 13 Q 4.0557 7.6765 120.0610 59.2571 28.7899 177.9594 14 Y 4.3513 7.3053 114.8845 58.8004 38.8443 177.3497 15 F 4.5463 8.5008 123.3455 61.4536 38.3732 176.8321 16 Q 3.8652 8.0540 117.1650 58.4062 28.4258 178.1590 17 T 4.5607 7.6792 116.1377 65.5021 68.9230 177.0609 18 V 3.6977 7.7806 120.5305 66.1494 31.5418 178.0089 19 T 3.8376 7.7587 112.9127 64.9790 67.2254 176.0580 20 D 4.3944 7.5226 121.4413 57.1846 40.1210 177.9768 21 Y 4.9388 7.5628 121.8507 60.1456 38.8478 178.2066 22 G 3.7364 7.9276 106.4433 47.2835 0.0000 175.9819 23 K 4.0712 7.9340 120.6030 59.1465 31.8317 179.1292 24 D 4.6496 7.8517 120.5837 56.7283 40.4621 178.4778 25 L 3.9041 7.2996 121.3645 58.1358 42.1820 178.6161 26 M 4.0052 7.8450 118.1140 58.6525 31.8797 178.1176 27 E 4.0296 8.3058 118.8236 59.0740 29.4466 178.9297 28 K 4.1370 7.6329 116.6398 57.9942 32.2347 178.3765 29 V 4.0702 7.0966 117.4007 64.1028 31.5064 177.3871 30 K 4.8883 8.0688 119.6151 58.3804 31.8986 179.4371 31 S 4.3489 7.9203 115.1267 60.8473 61.7323 174.8125 32 P 5.1632 0.0000 0.0000 64.8425 31.1672 178.1625 33 E 4.1677 7.8004 119.0328 58.7249 29.0270 178.6585 34 L 4.3805 7.1903 115.9619 55.1926 42.7615 177.3532 35 Q 4.3597 7.6418 116.6506 55.1798 31.3812 173.4698 36 A 4.2952 7.8559 124.0814 51.2584 21.8500 174.5167 37 E 3.9395 8.6158 120.0842 56.3952 28.5483 176.0496 38 A 3.3172 8.0086 127.3030 51.6390 20.7384 177.7223 39 K 3.9332 8.4130 120.0680 60.8984 32.2421 180.0993 40 S 4.5343 8.1832 112.0771 60.5255 63.2571 175.8686 41 Y 3.8928 7.6436 119.2170 60.2907 37.5411 176.9598 42 F 5.2302 7.7691 114.5907 56.5632 39.4524 176.9774 43 E 4.2304 8.0490 122.3552 59.2318 29.6919 178.4155 44 K 4.3662 8.1239 118.9047 56.9821 32.4159 178.4985 45 S 4.1914 7.9953 114.2285 62.1715 63.0480 176.3220 46 K 4.1418 7.7882 121.5204 58.6861 31.6078 178.1959 47 E 4.3227 7.9057 117.1859 56.7522 29.3345 177.7890 48 Q 4.3746 7.7083 119.5312 57.1916 30.9910 177.5520 49 L 4.1950 7.7528 119.3869 57.7531 41.8447 179.3856 50 T 3.9583 7.8337 115.5278 66.3461 68.6219 175.1279 51 P 4.2901 0.0000 0.0000 65.0642 31.0560 178.4113 52 L 3.9866 7.3221 117.6691 58.0145 41.8078 178.5769 53 I 3.9994 7.6045 119.2357 63.8403 37.4249 177.5642 54 K 4.2321 8.1688 117.3852 57.2964 31.7237 178.8297 55 K 3.9739 7.9767 120.5262 59.0408 31.9674 178.2842 56 A 4.0444 7.7797 120.6592 54.5739 17.9093 179.6590 57 G 3.5419 7.6969 104.1375 47.5923 0.0000 174.3599 58 T 4.3131 7.1774 112.1275 61.1819 67.0655 173.4413 59 E 4.1408 6.6822 117.5506 57.2062 33.2000 177.5476 60 L 3.3755 7.2687 117.3213 57.5819 42.2332 179.6785 61 V 3.5300 7.8025 118.4423 66.0106 31.2571 177.8531 62 N 4.4520 7.5171 114.6485 55.8898 37.7909 177.4357 63 F 4.3539 7.5555 119.3306 60.3372 38.7990 177.0042 64 L 2.7392 7.3074 114.7859 55.7306 41.6104 178.1286 65 S 4.4088 7.5362 113.7837 59.7445 62.7694 174.9156 66 Y 4.7205 7.4015 117.2291 57.8706 37.4314 176.4859 67 F 3.8361 6.5653 117.8668 60.3269 39.4448 175.8566 68 V 4.2363 7.5419 130.8121 61.4037 31.8794 174.4867 69 E 4.5991 8.0887 123.8326 57.2651 33.3992 175.6263 70 L 4.5851 7.8267 118.5422 53.3684 42.7229 177.4722 71 G 5.1750 7.9119 125.1103 46.8311 0.0000 172.6708 72 T 4.2380 7.6760 109.4275 60.9010 70.9743 173.7720 73 Q 3.4422 8.4353 119.2839 56.3053 25.1755 171.7550 74 P 4.3370 0.0000 0.0000 61.8856 32.7740 177.1711 75 A 4.1448 8.3382 122.3344 52.6687 17.8076 177.2903 76 T 4.3321 8.4624 119.2556 66.0280 69.7060 175.5148 77 Q 4.1260 7.7062 122.2761 56.5527 28.2755 173.9369 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 E 8.43 4.29 0.00 1.94 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 2.19 2.30 0.00 5 P 0.00 4.14 0.00 2.29 2.04 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 6 C 8.47 4.08 0.00 2.94 2.88 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 0.00 0.00 0.00 7 V 8.30 4.27 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 0.78 0.00 0.00 0.92 0.00 0.00 8 E 7.75 4.76 0.00 1.89 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 2.17 2.25 0.00 9 S 8.27 4.45 0.00 3.95 3.96 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 10 L 7.37 4.57 0.00 1.58 1.60 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *12 S 7.65 4.12 0.00 3.78 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 13 Q 7.68 4.06 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 14 Y 7.31 4.35 0.00 3.05 3.24 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 15 F 8.50 4.55 0.00 3.28 3.47 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 16 Q 8.05 3.87 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 17 T 7.68 4.56 4.46 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 0.00 0.00 0.00 1.23 0.00 0.00 18 V 7.78 3.70 2.34 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 1.14 0.00 0.00 1.05 0.00 0.00 19 T 7.76 3.84 3.77 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 1.04 0.00 0.00 20 D 7.52 4.39 0.00 3.14 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 21 Y 7.56 4.94 0.00 3.09 3.15 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 0.00 0.00 0.00 0.00 22 G 7.93 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.93 4.07 0.00 2.01 1.85 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.72 7.81 24 D 7.85 4.65 0.00 2.77 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 25 L 7.30 3.90 0.00 1.68 1.76 0.87 0.76 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 26 M 7.85 4.01 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 27 E 8.31 4.03 0.00 2.22 1.97 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 2.31 2.59 0.00 28 K 7.63 4.14 0.00 1.82 1.84 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.64 7.81 29 V 7.10 4.07 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 0.85 0.00 0.00 0.94 0.00 0.00 30 K 8.07 4.89 0.00 2.02 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.56 7.81 31 S 7.92 4.35 0.00 3.99 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 5.16 0.00 2.29 2.35 0.00 3.84 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 2.22 2.01 0.00 33 E 7.80 4.17 0.00 2.38 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 0.00 2.34 2.56 0.00 34 L 7.19 4.38 0.00 1.70 1.71 0.92 0.82 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 35 Q 7.64 4.36 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 36 A 7.86 4.30 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 37 E 8.62 3.94 0.00 1.87 1.78 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 2.22 2.22 0.00 38 A 8.01 3.32 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.41 3.93 0.00 1.95 1.88 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.33 7.81 40 S 8.18 4.53 0.00 4.07 4.19 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 0.00 0.00 0.00 0.00 41 Y 7.64 3.89 0.00 2.85 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 0.00 0.00 0.00 0.00 42 F 7.77 5.23 0.00 3.05 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 43 E 8.05 4.23 0.00 2.04 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 2.37 2.66 0.00 44 K 8.12 4.37 0.00 1.82 1.77 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 45 S 8.00 4.19 0.00 4.19 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 46 K 7.79 4.14 0.00 1.80 1.92 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.54 7.81 47 E 7.91 4.32 0.00 2.26 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 2.29 0.00 48 Q 7.71 4.37 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 49 L 7.75 4.20 0.00 1.70 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.83 3.96 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 51 P 0.00 4.29 0.00 2.15 2.09 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.13 0.00 52 L 7.32 3.99 0.00 1.84 1.92 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.60 4.00 1.97 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 1.64 0.95 0.90 0.00 0.00 54 K 8.17 4.23 0.00 1.92 1.82 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 K 7.98 3.97 0.00 2.00 1.93 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.42 7.81 56 A 7.78 4.04 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 57 G 7.70 3.54 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 0.00 0.00 0.00 58 T 7.18 4.31 4.19 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 0.00 0.00 0.00 1.18 0.00 0.00 59 E 6.68 4.14 0.00 1.89 1.53 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 0.00 1.87 2.19 0.00 60 L 7.27 3.38 0.00 1.68 1.61 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.80 3.53 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 0.97 0.00 0.00 0.90 0.00 0.00 62 N 7.52 4.45 0.00 2.86 2.82 0.00 0.00 6.98 8.01 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 63 F 7.56 4.35 0.00 3.19 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 64 L 7.31 2.74 0.00 1.66 1.53 1.05 0.87 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 7.54 4.41 0.00 3.80 3.96 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 66 Y 7.40 4.72 0.00 3.02 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 67 F 6.57 3.84 0.00 3.12 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 68 V 7.54 4.24 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 0.84 0.00 0.00 0.95 0.00 0.00 69 E 8.09 4.60 0.00 2.02 1.87 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 2.31 2.41 0.00 70 L 7.83 4.59 0.00 1.63 1.59 0.94 0.87 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 71 G 7.91 5.18 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 72 T 7.68 4.24 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 73 Q 8.44 3.44 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 74 P 0.00 4.34 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 75 A 8.34 4.14 1.27 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 0.00 0.00 0.00 76 T 8.46 4.33 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 77 Q 7.71 4.13 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.