NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4604 8.1927 117.0986 57.5241 64.3361 174.0340 6 L 3.7688 8.6087 127.2042 56.3783 41.7681 177.1837 7 L 3.7492 8.1654 121.3551 58.8866 42.2854 178.7128 8 E 4.0414 8.1094 117.2884 61.1737 29.6683 180.5352 9 K 4.0304 8.0314 119.6119 59.5970 32.1697 179.5753 10 V 3.3461 7.9250 118.3214 65.7809 31.3959 178.0654 11 L 3.4504 7.2995 118.6973 57.2599 40.9852 179.2522 12 K 4.1117 7.9971 117.9446 60.1159 32.2075 178.8093 13 E 4.2383 7.7467 116.4438 59.0894 29.5998 178.9919 14 W 4.7417 8.4902 118.3656 57.0212 29.1298 176.2099 15 K 4.3071 7.5618 121.0455 58.2077 31.8708 175.3058 16 G 4.1301 9.2198 115.3792 45.8595 0.0000 173.5024 17 H 4.7111 8.3580 116.5071 54.4266 30.7814 175.2214 18 K 4.5198 8.6053 122.8544 57.0544 33.3007 175.9689 19 V 4.7456 9.3110 119.5100 59.6156 36.0995 174.3023 20 A 5.2042 8.6688 124.4499 50.5051 21.3922 176.2975 21 V 4.4808 8.0618 117.9670 61.0913 35.2249 174.6197 22 S 4.2702 8.1319 123.9840 56.8811 64.2959 173.6347 23 V 4.6554 7.4821 125.5894 59.9556 34.3205 171.1212 24 G 4.0293 8.3139 118.1903 44.5957 0.0000 173.3393 *29 F 5.1027 7.5091 117.5133 57.0605 40.7433 173.5853 30 T 4.7598 8.9026 116.7591 61.2311 71.4791 173.3565 31 G 4.0165 8.4936 111.5503 46.7123 0.0000 171.2406 32 T 4.8902 8.4608 117.6134 62.1303 70.3944 174.4523 33 L 4.3540 8.6580 128.8904 55.5262 41.8984 177.0954 34 E 4.0135 9.0332 128.1085 58.7829 30.2179 175.7038 35 D 4.8614 7.7756 116.5018 54.1053 44.9830 173.1095 36 F 5.1069 8.2287 114.8152 56.8327 39.9877 172.1833 37 D 4.3985 9.1013 121.8482 53.3693 41.6318 174.9306 38 E 4.1397 9.2198 116.9884 60.4738 29.7204 174.8663 39 E 4.2650 8.2086 115.2407 58.1658 30.2964 178.6723 40 V 5.3111 8.0853 110.3591 59.7865 36.9411 174.4308 41 I 5.0564 8.9824 114.9147 59.1161 41.4521 173.9945 42 L 5.0642 9.1840 125.2663 53.4220 44.5933 175.1724 43 L 5.2059 8.5384 125.5538 53.1095 44.6484 175.2230 44 K 4.6844 8.6963 122.5098 54.8012 35.5676 175.0956 45 D 4.2381 7.9236 123.2272 55.4342 38.8017 174.9743 46 V 4.0431 7.6823 120.2356 63.6360 32.8851 176.9798 47 V 4.9195 9.0826 129.9668 60.6658 34.7332 171.5865 48 D 5.5480 8.9753 121.2667 52.7511 43.1025 178.1030 49 V 3.7235 8.4801 114.1153 67.8586 31.6990 177.6877 50 I 4.0086 7.9228 119.4469 63.3123 38.2127 176.2547 51 G 4.1000 6.8955 106.5902 46.3975 0.0000 172.1196 52 N 4.9217 8.8654 120.9853 53.0705 39.5594 174.9217 53 R 4.5161 9.1632 119.3015 55.3113 32.9911 176.8570 54 G 4.2304 7.7849 111.8685 45.5383 0.0000 173.8463 55 K 4.0392 8.1762 123.2151 57.2590 32.1648 176.4278 56 Q 4.9131 7.1900 116.8359 53.9515 31.4100 173.7096 *58 L 4.4276 8.2795 119.3434 56.0904 43.3114 176.8429 59 I 4.5205 8.3879 121.6080 60.0232 42.0702 174.7350 60 G 4.0238 8.7668 114.2308 46.0364 0.0000 174.7380 61 L 4.1473 9.1407 125.8483 57.8305 42.0606 180.0524 62 E 3.9316 8.4507 116.1665 59.0808 29.7292 180.8053 63 D 4.9016 7.7921 114.3292 53.0231 40.2619 179.0954 64 I 4.5973 7.6851 121.7411 61.0115 37.7268 175.4933 65 N 4.5459 8.8467 125.6993 54.7641 39.0425 175.0563 66 W 5.2943 6.9701 113.7148 55.2055 31.3015 174.2465 67 I 5.0153 8.3271 121.3281 59.5025 39.4896 174.1161 *69 L 3.3586 8.1534 121.4051 54.9761 42.2699 176.7717 70 L 4.0893 7.9729 124.5435 55.0442 41.5503 176.6664 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 5 S 8.19 4.46 0.00 3.67 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 6 L 8.61 3.77 0.00 1.84 1.64 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.17 3.75 0.00 1.70 1.60 0.75 1.00 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 8 E 8.11 4.04 0.00 2.01 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 2.32 1.98 0.00 9 K 8.03 4.03 0.00 2.00 1.89 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.35 7.81 10 V 7.92 3.35 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 -0.09 0.00 0.00 0.76 0.00 0.00 11 L 7.30 3.45 0.00 0.77 0.13 0.34 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.00 4.11 0.00 2.23 2.01 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.39 7.81 13 E 7.75 4.24 0.00 2.26 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 0.00 2.42 2.58 0.00 14 W 8.49 4.74 0.00 3.45 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 15 K 7.56 4.31 0.00 2.15 1.92 0.00 1.87 0.00 0.00 1.88 0.00 0.00 3.37 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.57 1.63 7.81 16 G 9.22 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.36 4.71 0.00 3.24 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.61 4.52 0.00 1.84 1.66 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.49 7.81 19 V 9.31 4.75 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 0.83 0.00 0.00 1.05 0.00 0.00 20 A 8.67 5.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 4.48 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 0.68 0.00 0.00 0.98 0.00 0.00 22 S 8.13 4.27 0.00 2.72 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 23 V 7.48 4.66 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 1.15 0.00 0.00 0.93 0.00 0.00 24 G 8.31 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 *29 F 7.51 5.10 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.90 4.76 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 31 G 8.49 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 0.00 0.00 0.00 32 T 8.46 4.89 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 1.26 0.00 0.00 33 L 8.66 4.35 0.00 1.93 1.88 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.03 4.01 0.00 2.08 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 2.35 2.28 0.00 35 D 7.78 4.86 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 5.11 0.00 3.13 2.97 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 37 D 9.10 4.40 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.22 4.14 0.00 2.01 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 2.24 1.90 0.00 39 E 8.21 4.27 0.00 1.89 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 2.31 1.90 0.00 40 V 8.09 5.31 2.11 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 0.71 0.00 0.00 1.01 0.00 0.00 41 I 8.98 5.06 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.97 0.97 0.00 0.00 42 L 9.18 5.06 0.00 1.73 1.74 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.54 5.21 0.00 1.66 1.53 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.70 4.68 0.00 2.00 1.75 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 45 D 7.92 4.24 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 46 V 7.68 4.04 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 0.76 0.00 0.00 0.86 0.00 0.00 47 V 9.08 4.92 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 0.66 0.00 0.00 0.93 0.00 0.00 48 D 8.98 5.55 0.00 2.28 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 49 V 8.48 3.72 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 50 I 7.92 4.01 1.89 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 1.35 0.53 0.92 0.00 0.00 51 G 6.90 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.87 4.92 0.00 2.74 2.76 0.00 0.00 6.54 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 53 R 9.16 4.52 0.00 1.79 1.86 0.00 3.52 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.07 0.00 54 G 7.78 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 0.00 0.00 0.00 0.00 55 K 8.18 4.04 0.00 1.69 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.06 7.81 56 Q 7.19 4.91 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 *58 L 8.28 4.43 0.00 1.54 1.64 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.39 4.52 1.88 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 1.14 0.54 0.90 0.00 0.00 60 G 8.77 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 0.00 0.00 0.00 61 L 9.14 4.15 0.00 1.73 1.73 1.02 1.25 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 62 E 8.45 3.93 0.00 1.98 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 2.24 1.90 0.00 63 D 7.79 4.90 0.00 2.72 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 64 I 7.69 4.60 2.00 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 1.25 1.20 0.91 0.00 0.00 65 N 8.85 4.55 0.00 2.36 2.84 0.00 0.00 6.85 7.91 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 66 W 6.97 5.29 0.00 3.50 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 67 I 8.33 5.02 2.22 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 1.39 0.75 1.25 0.00 0.00 *69 L 8.15 3.36 0.00 0.27 0.20 0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.97 4.09 0.00 1.62 1.50 0.92 0.91 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 * Residues marked with a * may have inaccurate shift predictions.