NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3703 8.4045 118.7932 53.8017 33.1217 174.9917 2 V 3.4943 8.1417 113.6464 61.5498 31.5623 171.9577 3 N 4.6360 8.6352 124.8897 51.5046 39.2266 174.6893 4 R 3.8802 8.3929 127.9075 59.4336 30.3191 178.0106 5 I 3.7308 7.7418 118.9517 64.2436 37.1589 177.8387 6 E 3.9337 8.2857 119.7432 59.2732 29.4066 178.8050 7 L 3.9558 8.0660 119.0615 57.8159 41.6943 179.3096 8 S 4.0681 8.0881 113.0257 61.3919 62.2353 176.3077 9 R 3.8481 8.0668 121.0936 59.5554 29.9507 178.3669 10 L 3.9811 8.0628 118.8527 57.8336 41.4818 179.7247 11 I 3.7598 8.1954 120.1161 64.4854 37.0173 178.7733 12 G 3.6054 8.1230 106.4494 47.6749 0.0000 175.4079 13 L 3.9754 7.9058 121.9792 57.8303 42.0099 178.5766 14 L 4.3683 7.6978 121.6991 57.4469 42.0480 178.3142 15 L 4.3256 8.3437 119.7795 56.6620 41.6851 179.1857 16 E 4.1845 8.1345 121.7612 61.2552 29.6971 184.7692 17 T 4.1457 7.6442 115.8466 67.1705 68.6146 180.6984 18 E 4.1890 8.0645 122.5802 60.7870 29.4423 181.6365 19 K 4.5974 8.0259 123.3692 59.6024 32.1040 184.5356 20 R 4.2063 8.5616 118.8790 60.1933 28.9686 183.6726 21 K 4.0537 6.9179 118.5515 55.9990 31.7676 177.9114 *35 D 4.2821 7.7700 119.6964 54.5768 41.9963 176.3068 36 K 4.5502 8.5041 131.5508 54.6922 34.2574 172.6268 37 V 4.0280 8.4742 115.4848 64.5148 30.3938 170.4188 38 T 4.0202 7.6805 116.8196 66.2502 68.3781 176.4547 39 L 3.9679 7.3396 119.3255 58.3574 41.6215 179.2498 40 S 4.2946 7.8086 116.4877 61.5772 62.8586 177.2185 41 K 4.0702 8.0263 127.8650 59.5190 31.4635 183.8858 42 I 3.8785 7.6946 120.0376 64.2169 37.0637 178.2021 43 A 3.9662 8.0100 121.6116 55.2246 18.0177 179.3963 44 Q 3.8764 7.9407 116.8358 59.4207 29.1892 177.9212 45 E 4.0733 8.2835 119.5465 59.1782 29.8596 178.4538 46 L 4.2873 8.2419 121.6052 57.8777 41.4038 179.1361 47 S 4.7703 8.0981 119.2148 60.9135 62.1667 179.8977 48 K 4.3433 7.5901 130.9997 62.9897 31.8599 179.9675 49 N 5.0005 8.0015 119.0656 51.5883 40.4221 176.0233 *55 D 4.7404 8.7974 112.8685 55.6921 42.5785 174.6861 56 L 4.1256 8.2002 124.3193 60.3413 40.7354 182.7509 57 E 4.2284 8.2854 121.2816 61.7002 29.6546 181.7866 58 K 4.2373 7.9546 124.5733 59.1705 31.8394 180.8608 59 K 4.1741 8.5485 123.4953 60.0992 32.1741 180.0321 60 V 3.6668 8.0741 122.2878 66.5966 31.6234 180.8868 61 K 4.2695 8.1127 127.2810 60.2143 31.4551 181.5606 62 E 4.2137 8.5710 120.1232 60.9180 29.7338 181.1896 63 L 4.0171 8.0241 120.0604 57.3432 41.6553 179.5110 64 K 3.9226 8.1726 122.1295 59.9956 32.1323 179.4185 65 E 3.9948 8.2054 120.8698 61.8283 29.7978 181.7671 66 K 4.2824 8.2865 125.1422 59.3076 31.2446 180.7137 67 I 4.3100 7.7272 120.5470 64.6391 37.0574 178.7755 68 E 4.0841 7.9710 121.0871 61.6483 29.7297 182.7117 69 K 4.4559 7.9803 123.0744 57.4155 31.8742 179.9791 70 G 4.1114 7.7132 107.0543 47.1280 0.0000 174.7759 71 E 4.2560 7.9585 114.0040 56.3849 30.2955 179.9446 72 Y 4.3574 8.0123 122.3545 58.4812 39.2613 174.8130 73 E 4.4058 8.0381 123.2922 53.9834 31.6094 171.7393 74 V 4.1906 8.0996 123.7531 60.3576 33.0616 175.5519 75 S 4.7355 8.0671 120.9230 55.8363 67.5052 174.5977 76 D 4.3669 8.6386 122.6836 57.4505 40.4505 179.0644 77 E 3.9215 8.0624 118.6943 59.4758 29.5949 179.3617 78 K 3.9701 7.7125 118.3180 59.3549 32.1022 179.6783 79 V 3.5885 7.9463 118.6090 66.0093 31.4958 178.3407 80 V 3.6143 8.3032 118.3908 65.8123 31.4093 177.7930 81 K 4.0571 8.4467 119.8823 59.4383 31.8657 178.9017 82 G 3.6703 8.2860 105.9266 47.8120 0.0000 175.6049 83 L 4.2376 8.0138 121.7801 57.5972 41.7430 179.4838 84 I 3.8469 8.3387 119.9607 64.8336 36.9497 178.4822 85 E 4.1187 8.2381 117.3320 58.7047 29.2507 178.9126 86 F 4.2081 7.7322 120.5202 60.9977 39.7435 177.0491 87 F 4.5011 8.3637 114.9488 58.8179 39.0211 175.7960 88 T 4.2388 7.8851 113.7835 61.7074 68.7779 173.5604 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 8.40 4.37 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 V 8.14 3.49 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 0.84 0.00 0.00 0.93 0.00 0.00 3 N 8.64 4.64 0.00 2.88 2.82 0.00 0.00 6.40 7.53 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 4 R 8.39 3.88 0.00 1.91 1.92 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 5 I 7.74 3.73 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 1.52 0.70 0.91 0.00 0.00 6 E 8.29 3.93 0.00 2.11 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 2.30 2.39 0.00 7 L 8.07 3.96 0.00 1.89 1.70 0.95 0.63 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 8 S 8.09 4.07 0.00 4.11 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 9 R 8.07 3.85 0.00 1.93 2.06 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 10 L 8.06 3.98 0.00 1.87 1.71 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.20 3.76 2.03 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 1.70 0.95 0.91 0.00 0.00 12 G 8.12 3.61 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 0.00 0.00 0.00 13 L 7.91 3.98 0.00 1.90 1.89 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.70 4.37 0.00 1.97 1.84 0.92 0.56 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 15 L 8.34 4.33 0.00 1.76 1.68 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.13 4.18 0.00 1.93 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 0.00 2.23 2.19 0.00 17 T 7.64 4.15 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 18 E 8.06 4.19 0.00 1.92 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 2.25 2.21 0.00 19 K 8.03 4.60 0.00 1.84 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.31 7.81 20 R 8.56 4.21 0.00 1.79 1.87 0.00 3.23 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 21 K 6.92 4.05 0.00 1.86 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.24 7.81 *35 D 7.77 4.28 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.55 0.00 1.81 1.62 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 0.98 7.81 37 V 8.47 4.03 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 0.90 0.00 0.00 0.93 0.00 0.00 38 T 7.68 4.02 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 39 L 7.34 3.97 0.00 1.95 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.81 4.29 0.00 4.19 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 41 K 8.03 4.07 0.00 1.80 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 42 I 7.69 3.88 2.02 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 1.57 0.67 0.91 0.00 0.00 43 A 8.01 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 3.88 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 45 E 8.28 4.07 0.00 2.04 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 0.00 2.32 2.39 0.00 46 L 8.24 4.29 0.00 1.88 1.69 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.10 4.77 0.00 3.71 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 48 K 7.59 4.34 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.36 7.81 49 N 8.00 5.00 0.00 2.67 2.54 0.00 0.00 6.50 8.06 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 *55 D 8.80 4.74 0.00 2.62 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 56 L 8.20 4.13 0.00 1.64 1.72 0.92 0.93 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 57 E 8.29 4.23 0.00 1.96 1.99 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 2.32 1.95 0.00 58 K 7.95 4.24 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.06 7.81 59 K 8.55 4.17 0.00 1.86 1.96 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 60 V 8.07 3.67 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 0.72 0.00 0.00 0.93 0.00 0.00 61 K 8.11 4.27 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.33 7.81 62 E 8.57 4.21 0.00 1.94 1.98 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 2.24 2.22 0.00 63 L 8.02 4.02 0.00 1.87 1.51 0.93 0.33 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 64 K 8.17 3.92 0.00 1.88 1.93 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 65 E 8.21 3.99 0.00 2.05 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 2.24 2.19 0.00 66 K 8.29 4.28 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 67 I 7.73 4.31 1.91 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.92 0.00 0.00 68 E 7.97 4.08 0.00 2.10 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 2.26 2.19 0.00 69 K 7.98 4.46 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 70 G 7.71 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 0.00 0.00 0.00 71 E 7.96 4.26 0.00 2.00 1.86 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 2.20 1.86 0.00 72 Y 8.01 4.36 0.00 2.92 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 73 E 8.04 4.41 0.00 2.01 1.71 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 2.15 1.84 0.00 74 V 8.10 4.19 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 1.00 0.00 0.00 0.97 0.00 0.00 75 S 8.07 4.74 0.00 4.22 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 76 D 8.64 4.37 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.06 3.92 0.00 2.04 1.99 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 2.39 2.46 0.00 78 K 7.71 3.97 0.00 1.74 1.85 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 79 V 7.95 3.59 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 1.01 0.00 0.00 0.98 0.00 0.00 80 V 8.30 3.61 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 0.86 0.00 0.00 0.96 0.00 0.00 81 K 8.45 4.06 0.00 1.99 1.99 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.55 7.81 82 G 8.29 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.01 4.24 0.00 1.97 1.94 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.34 3.85 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.86 0.96 0.00 0.00 85 E 8.24 4.12 0.00 2.15 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 2.38 2.42 0.00 86 F 7.73 4.21 0.00 2.91 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 87 F 8.36 4.50 0.00 3.18 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 88 T 7.89 4.24 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 1.29 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.