NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 T 4.4238 8.1631 117.3746 62.8330 71.5715 175.4388 27 G 3.6961 9.0699 113.1449 44.9374 0.0000 173.0297 28 P 4.4792 0.0000 0.0000 64.4273 33.4675 175.5921 29 L 3.9215 7.9500 119.0177 57.8969 41.6203 179.2847 30 S 4.1861 7.9669 113.4830 60.8260 63.1754 176.3364 31 V 3.5010 7.7283 121.5686 66.0711 31.0985 177.9009 32 L 3.5964 7.7425 118.5238 57.7949 41.2732 179.4016 33 T 4.0467 7.8405 113.1298 65.2051 67.2130 175.9500 34 Q 3.9704 7.9741 121.2395 59.3293 29.1049 178.4483 35 S 4.2506 8.1453 117.7989 61.0701 62.6112 176.8718 36 V 3.7758 7.8531 120.2928 65.6385 31.3082 177.8301 37 K 4.1057 7.7935 118.5988 59.6734 32.2466 178.2277 38 N 4.5266 8.5015 115.1399 53.1683 38.2945 175.2892 39 N 4.3341 7.6866 117.3443 54.4329 38.2953 173.2694 40 T 4.4284 7.1339 106.6404 59.8785 70.7482 173.9910 41 Q 4.4568 8.7614 125.8572 56.7569 30.6447 175.3212 42 V 4.7997 8.7509 123.5345 59.8788 35.1771 174.1580 43 L 4.5242 9.0108 127.2260 54.0019 43.1854 175.5549 44 I 4.2987 9.1203 130.0627 60.2726 38.2999 174.8916 45 N 5.1401 9.3765 126.6222 52.4180 39.7515 174.9122 46 C 4.7774 8.6788 121.6765 59.4821 31.5243 175.3627 47 R 3.0052 8.6308 114.2457 56.9858 30.7610 175.5232 48 N 4.7254 8.3893 116.9069 53.7952 39.8077 175.5135 49 N 4.5144 7.9689 111.3225 53.6072 36.8691 174.9414 50 K 4.5607 7.7635 117.0322 55.5635 34.3422 175.8429 51 K 5.1520 9.0411 121.7202 54.6778 36.3753 175.2442 52 L 5.1617 9.1419 123.8215 52.7544 45.4262 175.2082 53 L 5.3683 7.8016 125.0908 53.2970 44.4754 174.8501 54 G 4.0275 8.0022 114.2652 46.6139 0.0000 170.5676 55 R 4.8444 7.9663 119.9709 54.5597 32.4257 176.1895 56 V 3.8803 8.2997 124.2221 62.3262 31.3434 175.2631 57 K 4.2309 8.9246 131.4019 58.0834 31.7423 176.3628 58 A 5.1126 7.6158 119.4620 50.4040 23.3323 173.6831 59 F 5.2553 8.1662 111.9762 56.3958 40.7555 173.2720 60 D 4.8458 8.8287 120.8524 51.3504 41.9120 176.9606 61 R 3.9294 8.4069 116.8294 59.9056 30.2336 177.5610 62 H 4.4705 8.6141 113.1415 56.0110 28.8326 175.9714 63 C 3.8455 8.5836 116.8159 60.3698 26.2250 172.4292 64 N 4.7759 8.1338 117.6539 53.8310 39.4566 173.9537 65 M 5.1722 8.3161 121.4123 53.5634 36.9310 174.2585 66 V 4.4908 8.6389 123.1732 61.7090 33.3594 174.6891 67 L 5.2932 8.9480 127.2854 52.9997 45.6592 175.3186 68 E 4.9376 8.8230 120.6396 54.8859 33.3331 174.9708 69 N 4.3145 8.6844 117.9419 53.2254 36.3913 173.8621 70 V 4.5145 8.0491 118.8679 61.0591 34.5596 175.0985 71 K 4.9228 9.3114 128.0212 54.8382 34.1941 174.9055 72 E 4.7519 9.1525 127.8901 55.5030 31.2420 174.7950 73 M 4.4891 9.0605 127.7639 53.6019 34.0769 175.0596 *93 D 5.3042 8.4107 122.0422 53.0042 40.9264 174.8545 94 R 4.3785 7.6433 115.5584 55.9652 32.2248 171.6811 95 Y 5.1687 8.0397 126.0455 56.1821 41.4449 174.0874 96 I 4.5267 7.9558 126.2230 59.6963 40.7113 176.0894 97 S 3.9019 8.6597 122.1715 60.7633 63.3334 173.8142 98 K 5.1321 7.7158 116.1892 54.9739 35.9123 175.4068 99 M 4.8414 9.2397 122.8222 54.0920 36.3144 172.9612 100 F 5.0273 8.8742 126.9836 56.3872 41.4862 174.0768 101 L 4.8201 8.3510 128.6114 53.2676 44.4547 175.5098 102 R 4.9017 8.6680 124.7704 55.2196 31.5047 177.4486 103 G 4.4337 9.6347 112.1192 47.7213 0.0000 175.2497 104 D 4.6687 8.0089 117.3359 55.1686 40.1601 177.4475 105 S 4.1889 7.9382 117.0520 61.4924 62.9922 174.8830 106 V 3.9776 7.9213 120.5671 62.9776 31.2138 175.0051 107 I 4.1547 8.1569 129.7600 62.8137 37.2075 175.8991 108 V 4.4710 7.4451 120.3940 61.0558 35.4579 173.5310 109 V 4.7944 8.4249 126.3650 61.1436 33.3721 174.4741 110 L 4.8839 9.1730 128.2099 52.7943 45.0214 176.2608 111 R 4.3389 8.4770 120.9962 55.7159 30.9236 176.2826 112 N 5.1258 8.3570 119.6586 51.6970 37.6317 171.6449 113 P 4.5967 0.0000 0.0000 62.4568 33.5009 177.3036 114 L 4.5183 8.2888 120.4309 53.4358 42.6642 176.3984 115 I 4.4809 8.1400 123.7581 59.1641 39.9807 175.0348 116 A 4.1593 8.5013 127.7682 52.6974 19.3028 178.3898 117 G 4.0855 8.7047 106.4694 44.8012 0.0000 173.6397 118 K 3.9944 8.5275 116.8781 57.3045 32.2139 176.6805 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 26 T 8.16 4.42 4.34 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 1.22 0.00 0.00 27 G 9.07 3.70 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 0.00 0.00 0.00 28 P 0.00 4.48 0.00 2.21 2.26 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 29 L 7.95 3.92 0.00 1.75 1.89 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.97 4.19 0.00 4.04 4.15 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 31 V 7.73 3.50 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 0.93 0.00 0.00 32 L 7.74 3.60 0.00 0.64 0.13 0.49 0.31 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 33 T 7.84 4.05 4.49 0.00 0.00 0.00 0.00 0.00 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 34 Q 7.97 3.97 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 35 S 8.15 4.25 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.85 3.78 2.33 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 0.91 0.00 0.00 1.24 0.00 0.00 37 K 7.79 4.11 0.00 1.94 2.01 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 38 N 8.50 4.53 0.00 2.76 2.83 0.00 0.00 6.76 7.77 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 39 N 7.69 4.33 0.00 2.83 2.86 0.00 0.00 7.12 8.21 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 40 T 7.13 4.43 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 1.24 0.00 0.00 41 Q 8.76 4.46 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 42 V 8.75 4.80 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 0.64 0.00 0.00 0.92 0.00 0.00 43 L 9.01 4.52 0.00 1.74 1.59 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.12 4.30 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.88 0.00 0.00 45 N 9.38 5.14 0.00 2.66 2.73 0.00 0.00 6.52 7.59 0.00 0.00 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 C 8.68 4.78 0.00 2.94 2.82 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 47 R 8.63 3.01 0.00 1.84 1.67 0.00 3.30 0.00 0.00 3.23 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 48 N 8.39 4.73 0.00 2.75 2.81 0.00 0.00 7.03 8.00 0.00 0.00 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 N 7.97 4.51 0.00 2.86 3.07 0.00 0.00 6.81 7.33 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 50 K 7.76 4.56 0.00 1.70 1.71 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.46 7.81 51 K 9.04 5.15 0.00 1.63 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.38 7.81 52 L 9.14 5.16 0.00 1.48 1.49 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.80 5.37 0.00 1.74 1.51 1.02 0.84 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 54 G 8.00 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 55 R 7.97 4.84 0.00 1.77 1.85 0.00 3.32 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 56 V 8.30 3.88 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 0.79 0.00 0.00 0.85 0.00 0.00 57 K 8.92 4.23 0.00 1.83 1.81 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.21 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.46 7.81 58 A 7.62 5.11 1.19 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 0.00 0.00 59 F 8.17 5.26 0.00 3.07 2.95 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 60 D 8.83 4.85 0.00 2.84 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 61 R 8.41 3.93 0.00 1.59 1.95 0.00 3.33 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 62 H 8.61 4.47 0.00 3.37 3.35 0.00 5.72 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 63 C 8.58 3.85 0.00 3.19 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 64 N 8.13 4.78 0.00 3.04 2.62 0.00 0.00 6.78 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 65 M 8.32 5.17 0.00 1.83 1.74 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 2.66 2.46 0.00 66 V 8.64 4.49 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 0.99 0.00 0.00 0.97 0.00 0.00 67 L 8.95 5.29 0.00 1.53 1.45 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.82 4.94 0.00 1.87 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 0.00 2.21 2.25 0.00 69 N 8.68 4.31 0.00 2.86 3.00 0.00 0.00 6.77 8.03 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 70 V 8.05 4.51 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 0.95 0.00 0.00 0.91 0.00 0.00 71 K 9.31 4.92 0.00 1.77 1.77 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 72 E 9.15 4.75 0.00 2.01 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 0.00 2.27 2.28 0.00 73 M 9.06 4.49 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 *93 D 8.41 5.30 0.00 2.83 2.75 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 0.00 0.00 0.00 94 R 7.64 4.38 0.00 1.84 1.78 0.00 3.16 0.00 0.00 3.55 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 95 Y 8.04 5.17 0.00 3.12 2.82 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 96 I 7.96 4.53 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.38 0.80 0.00 0.00 97 S 8.66 3.90 0.00 4.02 3.84 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 98 K 7.72 5.13 0.00 1.62 1.63 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.42 7.81 99 M 9.24 4.84 0.00 1.98 1.79 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 2.50 2.48 0.00 100 F 8.87 5.03 0.00 3.10 2.89 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 0.00 101 L 8.35 4.82 0.00 1.68 1.34 0.92 0.74 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 0.00 102 R 8.67 4.90 0.00 1.98 1.90 0.00 3.27 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 103 G 9.63 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 0.00 0.00 0.00 0.00 104 D 8.01 4.67 0.00 2.81 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 0.00 105 S 7.94 4.19 0.00 3.90 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 0.00 106 V 7.92 3.98 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 0.73 0.00 0.00 0.94 0.00 0.00 107 I 8.16 4.15 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 1.11 0.68 0.90 0.00 0.00 108 V 7.45 4.47 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 0.96 0.00 0.00 0.92 0.00 0.00 109 V 8.42 4.79 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 0.79 0.00 0.00 0.86 0.00 0.00 110 L 9.17 4.88 0.00 1.53 1.48 0.91 0.15 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 0.00 111 R 8.48 4.34 0.00 1.67 1.83 0.00 3.12 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 112 N 8.36 5.13 0.00 2.66 2.77 0.00 0.00 7.19 7.30 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 0.00 113 P 0.00 4.60 0.00 2.11 2.03 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 114 L 8.29 4.52 0.00 1.65 1.64 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.14 4.48 1.87 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 1.34 0.61 0.91 0.00 0.00 116 A 8.50 4.16 1.23 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 0.00 0.00 0.00 117 G 8.70 4.09 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 0.00 118 K 8.53 3.99 0.00 1.87 1.84 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.