NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.5029 0.0000 0.0000 62.8615 33.7328 178.6178 5 V 3.6156 7.7611 112.3578 63.4321 31.6226 176.8064 6 G 3.7589 8.3633 105.2835 47.9842 0.0000 175.0268 7 F 4.3819 8.3158 122.5798 60.7484 39.4520 176.8537 8 A 3.7631 7.9694 119.9143 55.2697 18.1818 179.3577 9 E 3.8976 8.5767 117.1018 59.6936 29.1861 179.6848 10 A 3.9462 7.9887 120.1400 54.3112 18.2672 179.6410 11 W 3.9177 7.9271 127.4223 60.5981 30.6178 178.4997 12 K 4.0326 8.3776 117.2875 59.4450 31.5382 178.9318 13 A 4.0339 8.0573 120.4523 54.8073 18.2613 179.1636 14 Q 3.8480 6.9646 114.3386 56.5909 30.4384 176.3737 15 F 4.7861 7.6996 120.1159 54.3545 38.9026 173.8898 16 P 4.3995 0.0000 0.0000 64.6139 31.6452 177.2559 17 D 4.6387 8.0751 116.2621 54.9746 41.6417 176.5757 18 S 4.8306 7.7790 114.1335 57.1285 64.7185 172.8745 19 E 4.6942 8.5097 120.8518 53.7379 30.9909 174.6104 20 P 2.9700 0.0000 0.0000 61.5927 31.7147 174.3943 21 P 4.0361 0.0000 0.0000 63.2342 31.4233 175.7836 22 R 4.2767 8.1234 120.5070 54.5711 31.7636 175.8983 *24 E 4.0241 8.4506 119.7391 56.6390 30.5111 176.6402 25 L 4.8093 8.1990 125.4095 53.2433 41.8903 176.6994 26 R 4.1990 7.7974 115.8977 57.3057 31.1498 177.8276 27 S 4.8143 7.4998 111.9704 55.5837 67.3158 175.0026 28 V 3.6532 8.2263 121.2325 66.1765 31.4310 178.0482 29 G 3.8633 8.1814 104.9300 47.9924 0.0000 175.2253 30 D 4.3135 7.8774 120.3294 57.2674 40.9305 178.7072 31 I 3.6376 7.6807 120.1239 64.6767 37.1004 178.3855 32 E 3.9661 8.6298 119.5574 59.4909 29.2395 179.3479 33 Q 3.9453 8.0332 119.3045 59.1203 29.1167 178.0363 34 E 4.0066 8.2785 119.8201 59.0065 29.3551 179.0962 35 L 3.9630 8.0756 120.6263 58.1487 42.2017 178.8196 36 E 3.9408 8.4430 118.8930 59.5016 29.3926 179.4011 37 R 3.9059 8.1848 118.4815 59.0766 30.1750 178.5487 38 A 3.9772 8.0538 120.7886 55.1640 18.5952 179.7541 39 K 3.9396 8.3318 117.0370 59.5412 31.9453 179.5087 40 A 4.0310 8.1915 121.1346 55.2905 18.2774 179.9138 41 S 4.1747 8.1784 113.5350 61.4296 62.7657 176.9329 42 I 3.8193 7.6408 122.7369 64.2086 36.7587 178.5405 43 R 3.9371 7.9435 118.6956 59.1545 29.8376 179.3837 44 R 3.9598 7.8434 117.8458 59.2023 30.0628 179.0277 45 L 4.0008 8.1094 118.9506 57.7633 41.7182 179.1184 46 E 3.9778 8.5084 119.1166 58.6555 29.6307 178.5551 47 Q 3.9850 7.7379 120.2356 59.0244 29.1660 177.7551 48 E 3.9814 8.3416 119.7591 59.3885 29.5279 179.4900 49 V 3.6477 8.0709 118.5221 66.0789 31.6204 177.8853 50 N 4.4227 8.1822 116.0495 56.2907 38.3039 177.4596 51 Q 4.0956 8.0076 119.4997 58.8966 28.6136 178.3914 52 E 4.0765 8.1784 118.8951 59.2912 29.5256 179.3247 53 R 4.0994 8.0332 117.5746 59.0509 30.4461 178.3290 54 F 4.3911 8.2213 120.4118 61.4075 39.3832 178.9827 55 R 4.1921 8.1463 115.9923 56.4871 29.9665 178.8715 *57 I 3.9965 7.7265 120.6736 61.6553 39.3692 177.5054 58 Y 4.0449 7.8286 120.5471 60.6793 38.4913 178.2337 59 L 3.6823 8.3869 120.2090 57.7979 41.7767 179.2993 60 Q 4.1513 7.9512 118.8425 59.2292 28.8486 178.3915 61 T 3.8175 7.6930 116.9666 66.4224 68.2640 176.7990 62 L 3.8793 7.2793 119.7391 57.4654 41.3611 178.7423 63 L 3.9601 8.3808 120.3871 58.5614 41.7344 178.7733 64 A 3.9280 7.5696 119.0765 55.0398 19.3417 179.3977 65 K 4.1352 7.2827 114.4353 56.0190 31.3049 177.2276 66 E 4.1721 7.7038 123.1011 56.3721 31.2283 173.9933 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 P 0.00 4.50 0.00 2.27 2.40 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 5 V 7.76 3.62 2.27 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 0.80 0.00 0.00 0.96 0.00 0.00 6 G 8.36 3.76 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 0.00 0.00 0.00 7 F 8.32 4.38 0.00 3.15 3.13 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 8 A 7.97 3.76 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 3.90 0.00 2.01 2.02 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 2.35 2.56 0.00 10 A 7.99 3.95 1.43 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 11 W 7.93 3.92 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.38 4.03 0.00 1.91 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.76 7.81 13 A 8.06 4.03 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 14 Q 6.96 3.85 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 1.95 2.24 0.00 15 F 7.70 4.79 0.00 2.65 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 16 P 0.00 4.40 0.00 2.04 2.11 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 17 D 8.08 4.64 0.00 2.71 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 18 S 7.78 4.83 0.00 4.13 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 0.00 19 E 8.51 4.69 0.00 1.90 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 2.24 2.41 0.00 20 P 0.00 2.97 0.00 1.84 1.65 0.00 3.64 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 1.97 2.01 0.00 21 P 0.00 4.04 0.00 2.03 1.79 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.51 0.00 22 R 8.12 4.28 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 *24 E 8.45 4.02 0.00 1.96 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 2.19 2.27 0.00 25 L 8.20 4.81 0.00 1.53 1.53 0.79 0.91 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 26 R 7.80 4.20 0.00 1.90 2.03 0.00 3.12 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 27 S 7.50 4.81 0.00 4.01 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 28 V 8.23 3.65 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 0.94 0.00 0.00 0.92 0.00 0.00 29 G 8.18 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 30 D 7.88 4.31 0.00 2.94 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 31 I 7.68 3.64 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.87 0.00 0.00 32 E 8.63 3.97 0.00 2.01 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 2.32 2.40 0.00 33 Q 8.03 3.95 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 34 E 8.28 4.01 0.00 2.15 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 2.44 2.41 0.00 35 L 8.08 3.96 0.00 1.75 1.83 0.93 0.84 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 36 E 8.44 3.94 0.00 2.00 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 2.70 2.38 0.00 37 R 8.18 3.91 0.00 1.93 2.12 0.00 3.09 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 38 A 8.05 3.98 1.43 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 39 K 8.33 3.94 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 40 A 8.19 4.03 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 41 S 8.18 4.17 0.00 4.03 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 42 I 7.64 3.82 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 0.92 0.00 0.00 43 R 7.94 3.94 0.00 1.89 1.97 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 44 R 7.84 3.96 0.00 1.81 1.97 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 45 L 8.11 4.00 0.00 1.94 1.72 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.51 3.98 0.00 2.24 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 2.31 2.36 0.00 47 Q 7.74 3.98 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 48 E 8.34 3.98 0.00 2.20 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 2.33 2.55 0.00 49 V 8.07 3.65 2.10 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 1.05 0.00 0.00 1.01 0.00 0.00 50 N 8.18 4.42 0.00 3.08 2.86 0.00 0.00 7.03 7.07 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 51 Q 8.01 4.10 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.71 0.00 52 E 8.18 4.08 0.00 2.12 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 2.65 2.52 0.00 53 R 8.03 4.10 0.00 2.01 2.05 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 54 F 8.22 4.39 0.00 3.25 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 55 R 8.15 4.19 0.00 2.12 2.01 0.00 3.29 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.12 0.00 *57 I 7.73 4.00 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.23 0.86 0.00 0.00 58 Y 7.83 4.04 0.00 2.57 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 59 L 8.39 3.68 0.00 1.68 1.62 0.94 0.83 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 60 Q 7.95 4.15 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 61 T 7.69 3.82 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 1.16 0.00 0.00 62 L 7.28 3.88 0.00 1.49 1.51 0.59 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.38 3.96 0.00 1.77 1.62 0.95 1.07 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 64 A 7.57 3.93 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 65 K 7.28 4.14 0.00 1.77 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.34 7.81 66 E 7.70 4.17 0.00 1.98 2.23 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 2.15 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.