NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 50 T 4.2132 8.1749 110.9125 61.8630 70.0558 172.6357 51 T 4.2763 8.0936 118.4876 62.3091 71.2266 174.6418 52 G 3.0944 9.0123 111.0853 44.0855 0.0000 172.1074 53 W 5.0012 8.2819 120.3353 57.0628 30.0614 176.0746 54 K 4.7876 10.0282 125.9326 55.0871 35.1927 174.4796 55 Q 4.2104 8.3921 129.0469 54.9347 30.1826 174.7788 56 E 4.4003 9.0288 125.5490 55.6211 33.0925 175.2090 57 N 3.9187 9.7248 123.8719 54.7146 37.2506 174.6702 58 G 3.8207 8.1518 102.1507 45.8743 0.0000 173.0839 59 M 4.5798 7.5196 119.5660 53.0291 35.0898 174.8909 60 W 5.0995 8.3542 122.4124 55.9854 31.1578 174.9627 61 Y 5.2195 9.4123 120.9693 56.2449 42.5003 173.9475 62 F 4.5769 8.6556 123.7333 56.6424 42.0227 173.4043 63 Y 5.0223 7.7395 124.9566 56.2397 39.9656 176.0837 64 N 4.9125 9.2154 122.7838 52.7815 39.7892 176.5364 65 T 3.8560 8.5696 116.0694 66.9927 68.4286 176.1143 66 D 4.3922 8.0232 118.6820 54.5596 39.4867 176.2259 67 G 3.8578 7.6862 108.8026 45.6971 0.0000 174.7565 68 S 4.3904 9.2024 115.4441 58.5715 64.4702 173.1741 69 M 4.7916 8.4903 121.3594 54.1514 32.7950 175.6570 70 A 4.3372 8.7807 129.0075 52.7540 19.3084 176.2097 71 T 4.3436 8.0638 109.7285 60.8861 72.6869 174.5417 72 G 3.2189 7.7125 108.2346 44.1336 0.0000 172.1100 73 W 4.9815 8.3665 119.5741 56.8695 29.9066 176.1564 74 V 4.5051 9.4457 124.3894 61.1000 34.2837 173.6980 75 Q 4.4696 8.4507 128.6651 54.3199 30.2220 174.7239 76 V 4.2097 8.4443 126.0474 61.9453 33.5560 174.8436 77 N 4.2159 10.0681 124.8089 54.3966 35.9978 174.6137 78 G 3.9805 8.4555 107.4332 45.6207 0.0000 175.1997 79 S 4.3286 7.5628 115.3959 57.6311 63.9290 172.9935 80 W 5.2741 8.2606 122.9959 55.9894 30.9833 174.9184 81 Y 5.5168 10.1051 120.5490 56.5015 42.3321 173.6028 82 Y 4.6702 8.6324 121.4296 55.7858 41.7108 174.0442 83 L 4.9748 7.6948 126.4639 52.7915 44.5442 176.3687 84 N 4.6822 8.7542 120.4937 52.6590 39.1526 176.5431 85 S 4.1335 8.5179 114.3944 60.5034 63.0200 174.6185 86 N 4.7135 8.1514 117.5896 52.4083 37.2669 175.9758 87 G 4.1245 8.3929 109.3684 45.8856 0.0000 174.7314 88 S 3.6763 8.1361 115.3412 57.9680 64.2697 173.5697 89 M 4.5443 8.1508 123.6448 55.3947 32.4796 176.1781 90 K 4.2113 8.5727 126.1169 56.6963 32.8891 177.0442 91 V 4.3885 7.8176 115.2103 60.8333 36.1485 174.3950 92 N 4.0078 8.3478 119.3023 53.2182 36.9931 172.6156 93 Q 4.8583 6.8145 116.8424 56.1672 32.9171 174.0479 94 W 5.5832 9.3706 120.1319 55.4168 31.0808 175.6278 95 F 5.1579 9.6385 118.6435 55.3062 41.7218 173.0291 96 Q 4.2942 8.2073 120.2963 54.1680 30.4850 175.1086 97 V 4.3481 7.8861 119.6814 60.6474 35.3088 176.0886 98 G 3.7323 9.7057 110.6668 46.4909 0.0000 174.2114 99 G 3.8705 8.3548 104.6128 45.3792 0.0000 174.0029 100 K 4.5542 7.7465 118.4521 53.9096 34.7717 174.9652 101 W 4.8500 8.2659 121.5449 55.7266 31.1992 174.9299 102 Y 5.1389 8.8310 120.6597 56.3974 42.3528 173.6198 103 Y 4.8230 8.3926 121.6195 55.8100 42.1952 174.2708 104 V 4.8978 7.9701 119.7157 59.5607 35.3007 176.0685 105 N 4.8633 8.4634 122.0142 51.9070 39.4447 175.5728 106 T 3.8453 8.4239 107.1241 65.1107 68.7771 175.3253 107 S 4.1026 7.9056 116.0963 59.2385 63.0786 175.1799 108 G 4.0549 8.2377 109.4288 44.5841 0.0000 173.7396 109 E 3.7560 7.9237 118.4941 55.8779 30.9968 175.9152 110 L 4.8170 8.6129 125.8090 54.7923 42.7912 176.2628 111 A 4.3481 8.7653 129.3614 52.0636 18.8582 177.2046 112 V 4.5323 8.0073 114.6262 60.6638 35.8110 174.7542 113 N 4.4279 8.4048 117.3324 53.2659 37.5122 173.9111 114 T 4.6074 7.4098 115.7551 62.8330 73.2830 173.5264 115 S 5.8760 8.4098 118.3947 56.7079 66.8465 173.3972 *119 Y 4.5356 8.1925 116.7962 57.8438 39.3528 175.0297 120 R 5.0491 8.7368 124.7000 56.8837 31.4511 176.2839 121 V 4.8986 8.3909 119.2113 60.8353 36.2657 173.8137 122 N 5.1873 8.3409 121.3095 51.6295 40.1004 174.7031 123 D 4.4751 8.8741 116.2768 57.7507 41.5775 178.1466 124 N 4.3049 8.3553 115.5831 53.9204 38.8581 176.1005 125 G 3.9445 8.3262 105.1769 45.8256 0.0000 173.1579 126 E 3.8746 8.0956 124.0469 55.4406 29.6025 176.6622 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 50 T 8.17 4.21 4.21 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 1.17 0.00 0.00 51 T 8.09 4.28 4.17 0.00 0.00 0.00 0.00 0.00 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 52 G 9.01 3.09 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 53 W 8.28 5.00 0.00 3.30 3.30 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 54 K 10.03 4.79 0.00 2.04 1.97 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 55 Q 8.39 4.21 0.00 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.50 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 56 E 9.03 4.40 0.00 1.99 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 2.18 2.19 0.00 57 N 9.72 3.92 0.00 2.79 2.84 0.00 0.00 7.24 7.98 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 58 G 8.15 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 0.00 0.00 0.00 59 M 7.52 4.58 0.00 1.71 2.17 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 2.66 2.42 0.00 60 W 8.35 5.10 0.00 3.18 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 61 Y 9.41 5.22 0.00 2.76 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.66 4.58 0.00 2.38 2.57 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 63 Y 7.74 5.02 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 4.91 0.00 2.99 2.81 0.00 0.00 6.57 6.59 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 65 T 8.57 3.86 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 1.20 0.00 0.00 66 D 8.02 4.39 0.00 2.78 2.81 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 67 G 7.69 3.86 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 0.00 0.00 0.00 68 S 9.20 4.39 0.00 3.90 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 69 M 8.49 4.79 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.32 0.00 70 A 8.78 4.34 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 71 T 8.06 4.34 4.18 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 1.21 0.00 0.00 72 G 7.71 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 0.00 0.00 0.00 73 W 8.37 4.98 0.00 3.23 3.26 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 74 V 9.45 4.51 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 0.00 0.00 0.67 0.00 0.00 75 Q 8.45 4.47 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.53 0.00 0.00 0.00 0.00 0.00 1.74 1.46 0.00 76 V 8.44 4.21 2.53 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 1.19 0.00 0.00 0.65 0.00 0.00 77 N 10.07 4.22 0.00 2.99 2.91 0.00 0.00 7.47 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 78 G 8.46 3.98 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 0.00 0.00 0.00 79 S 7.56 4.33 0.00 3.92 3.34 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 0.00 80 W 8.26 5.27 0.00 3.31 3.26 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 81 Y 10.11 5.52 0.00 3.16 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 82 Y 8.63 4.67 0.00 2.32 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 0.00 0.00 0.00 83 L 7.69 4.97 0.00 1.44 1.57 0.90 0.77 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 84 N 8.75 4.68 0.00 2.91 2.69 0.00 0.00 6.70 8.43 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 85 S 8.52 4.13 0.00 3.95 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 86 N 8.15 4.71 0.00 2.88 2.96 0.00 0.00 6.15 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.39 4.12 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 0.00 0.00 0.00 88 S 8.14 3.68 0.00 3.66 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.15 4.54 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 90 K 8.57 4.21 0.00 1.57 1.39 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.41 1.33 7.81 91 V 7.82 4.39 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 0.67 0.00 0.00 0.93 0.00 0.00 92 N 8.35 4.01 0.00 2.78 2.81 0.00 0.00 6.92 7.08 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 93 Q 6.81 4.86 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.57 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 94 W 9.37 5.58 0.00 3.50 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.64 5.16 0.00 2.85 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 96 Q 8.21 4.29 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.74 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 97 V 7.89 4.35 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 0.67 0.00 0.00 0.99 0.00 0.00 98 G 9.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.35 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 0.00 0.00 0.00 100 K 7.75 4.55 0.00 1.70 1.26 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.51 7.81 101 W 8.27 4.85 0.00 3.17 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 0.00 102 Y 8.83 5.14 0.00 1.85 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 0.00 103 Y 8.39 4.82 0.00 1.43 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 0.00 0.00 0.00 104 V 7.97 4.90 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 1.08 0.00 0.00 0.91 0.00 0.00 105 N 8.46 4.86 0.00 2.94 3.08 0.00 0.00 6.60 6.51 0.00 0.00 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 T 8.42 3.85 4.25 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 0.00 0.00 0.00 1.29 0.00 0.00 107 S 7.91 4.10 0.00 4.02 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 0.00 108 G 8.24 4.05 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 0.00 0.00 0.00 109 E 7.92 3.76 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 110 L 8.61 4.82 0.00 1.98 1.84 1.38 0.96 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 0.00 111 A 8.77 4.35 1.33 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 0.00 112 V 8.01 4.53 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 0.94 0.00 0.00 0.99 0.00 0.00 113 N 8.40 4.43 0.00 2.85 2.88 0.00 0.00 6.73 7.57 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 0.00 114 T 7.41 4.61 4.26 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 1.21 0.00 0.00 115 S 8.41 5.88 0.00 3.78 3.78 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 0.00 0.00 0.00 *119 Y 8.19 4.54 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 0.00 120 R 8.74 5.05 0.00 1.87 1.88 0.00 3.09 0.00 0.00 3.94 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 121 V 8.39 4.90 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 0.75 0.00 0.00 0.93 0.00 0.00 122 N 8.34 5.19 0.00 2.82 3.00 0.00 0.00 5.79 8.07 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 0.00 123 D 8.87 4.48 0.00 2.65 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 0.00 124 N 8.36 4.30 0.00 2.93 2.72 0.00 0.00 7.16 6.96 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 0.00 125 G 8.33 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 0.00 0.00 0.00 126 E 8.10 3.87 0.00 1.92 1.61 0.00 0.00 0.00 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 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.