NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8196 8.3093 122.8352 58.3818 39.5592 173.8166 2 D 4.7900 8.5113 129.9040 50.9549 42.0434 175.8786 3 L 3.7825 8.5139 119.2024 57.8747 41.9784 180.3335 4 N 4.1780 8.0918 115.2042 56.7355 38.7465 176.5856 5 D 4.4087 8.1793 119.5809 57.4172 40.8103 178.5047 6 F 4.2514 7.2985 119.9909 61.1248 39.3074 176.8992 7 L 4.1134 7.7839 119.1794 58.3851 42.0641 177.4617 8 E 3.8777 7.9688 117.1931 59.5463 29.5809 177.7238 9 Q 3.8994 7.8411 121.3505 56.1350 27.9552 175.9869 *23 K 4.2328 8.0304 127.8941 55.2568 34.3700 174.7416 24 V 3.6466 7.6792 121.2330 63.0367 32.6733 180.6082 25 L 4.2081 7.7455 121.5736 58.7723 40.8947 185.0000 26 V 3.9763 7.9832 118.7961 63.4714 31.3656 179.4292 27 R 4.4123 7.6405 116.5097 57.0506 30.1612 184.1035 *29 E 4.3267 8.3292 119.7595 57.1037 31.3339 178.4406 30 A 3.9927 7.5683 119.9402 55.4874 17.9881 179.5274 31 I 3.6417 7.4005 115.9364 63.5981 37.5592 177.7279 32 I 4.1678 8.2598 121.0199 63.1888 37.3716 177.1505 33 N 4.5838 7.5045 113.2690 54.0474 38.9049 175.5277 34 S 4.8128 7.6703 116.8385 58.0358 64.5663 174.5167 *36 T 4.3074 7.1502 116.7645 61.6049 70.2879 175.8224 *38 K 4.1785 8.8453 118.1272 56.4579 33.9909 177.3447 39 E 3.8329 7.9489 117.7265 59.6742 29.5050 179.4609 40 R 3.8440 8.1179 116.4394 57.8510 30.5240 177.6384 41 A 4.2759 7.9130 119.3706 53.2050 21.3312 177.6062 42 K 4.8574 7.8988 114.8058 53.0712 31.6833 175.2009 43 P 4.1311 0.0000 0.0000 65.4683 32.3103 178.8123 44 E 3.9404 8.4658 116.1521 59.3828 29.2215 179.1254 45 I 3.7070 7.2973 111.9236 62.6103 37.8052 176.7034 46 I 4.1492 7.4508 123.9262 60.4818 35.9160 176.8178 47 K 4.5542 7.5656 129.1248 56.0968 34.7256 176.3945 48 G 3.7612 8.8962 105.6249 49.7354 0.0000 174.8633 49 S 4.0905 7.9305 114.3787 60.6518 62.5345 176.7228 50 R 3.8714 8.0153 119.9874 59.4000 29.7284 178.8400 51 K 3.9822 7.7935 117.0224 60.3566 32.3619 178.4303 52 R 3.8484 8.3550 117.7639 59.0942 29.9000 178.7767 53 R 3.8423 8.4173 117.7307 60.0777 30.1372 178.9043 54 I 3.7403 7.8064 117.9321 64.7291 37.2949 177.5806 55 A 4.0464 8.5169 122.4737 54.4898 17.6729 179.1298 56 A 4.0998 8.0682 118.1108 54.9452 18.3161 180.0412 57 G 3.6156 8.0202 103.9978 47.1710 0.0000 175.2262 58 S 4.8286 7.9293 113.8291 56.2255 64.2982 173.8435 59 G 3.7213 7.2118 111.9424 46.2549 0.0000 173.0243 *61 Q 4.1075 7.7422 122.5357 55.3778 30.4087 176.6059 62 V 3.5900 8.4366 119.8985 66.5050 31.5112 177.9506 63 Q 3.6891 8.2777 118.5096 59.6343 28.5507 178.7803 64 D 4.3038 8.5568 119.8767 57.2965 40.9735 178.7512 65 V 3.5495 7.6767 118.0193 66.2324 31.4850 177.4185 66 N 4.4097 9.0265 118.7038 57.2269 38.8137 177.3719 67 R 4.0606 7.8063 122.0390 61.1225 29.6248 182.3420 68 L 4.1663 8.1309 121.1123 58.3722 42.0923 179.2177 69 L 4.0940 7.9234 118.4922 57.7554 41.4033 179.5819 70 K 3.9417 8.3049 119.8127 59.4800 31.9386 178.8665 71 Q 3.9821 7.8785 116.6265 59.1390 28.8579 178.0874 72 F 3.3186 8.0473 120.3760 61.0956 39.4655 176.4411 73 D 4.1941 7.9207 117.6523 57.0613 40.8701 177.8251 74 D 4.3254 7.9577 119.6415 56.2425 41.7662 178.5610 *76 Q 4.0821 7.8984 117.8726 55.1329 30.4981 178.3845 77 R 3.9507 7.8718 121.3040 56.6525 29.6014 177.7140 *80 K 4.2031 7.5620 115.7077 54.0943 34.1431 177.3761 81 K 4.1906 7.9735 126.6072 57.3290 32.4600 175.4863 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 F 8.31 4.82 0.00 3.05 3.17 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 0.00 2 D 8.51 4.79 0.00 2.90 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 3 L 8.51 3.78 0.00 1.61 1.60 0.68 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.09 4.18 0.00 2.99 2.87 0.00 0.00 6.92 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 5 D 8.18 4.41 0.00 2.21 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 6 F 7.30 4.25 0.00 3.24 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 4.11 0.00 1.72 1.87 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.97 3.88 0.00 2.12 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 2.44 2.46 0.00 9 Q 7.84 3.90 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 *23 K 8.03 4.23 0.00 1.73 1.77 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 24 V 7.68 3.65 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 0.86 0.00 0.00 0.93 0.00 0.00 25 L 7.75 4.21 0.00 1.51 1.69 0.92 0.88 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 26 V 7.98 3.98 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 0.67 0.00 0.00 0.93 0.00 0.00 27 R 7.64 4.41 0.00 1.73 1.91 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 *29 E 8.33 4.33 0.00 2.06 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 0.00 2.31 2.46 0.00 30 A 7.57 3.99 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 31 I 7.40 3.64 2.01 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 1.53 0.59 0.93 0.00 0.00 32 I 8.26 4.17 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.90 0.00 0.00 33 N 7.50 4.58 0.00 2.68 2.85 0.00 0.00 6.88 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.67 4.81 0.00 3.85 3.81 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 *36 T 7.15 4.31 4.22 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 1.19 0.00 0.00 *38 K 8.85 4.18 0.00 1.84 1.91 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 39 E 7.95 3.83 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 40 R 8.12 3.84 0.00 1.79 1.89 0.00 3.03 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 41 A 7.91 4.28 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 42 K 7.90 4.86 0.00 1.72 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.30 7.81 43 P 0.00 4.13 0.00 2.05 1.86 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.79 0.00 44 E 8.47 3.94 0.00 2.12 2.24 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 2.36 2.27 0.00 45 I 7.30 3.71 1.85 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 1.58 0.56 0.90 0.00 0.00 46 I 7.45 4.15 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.88 0.00 0.00 47 K 7.57 4.55 0.00 1.75 1.66 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.43 7.81 48 G 8.90 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 49 S 7.93 4.09 0.00 3.89 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 50 R 8.02 3.87 0.00 1.87 2.02 0.00 3.33 0.00 0.00 3.57 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 51 K 7.79 3.98 0.00 2.06 1.89 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.52 7.81 52 R 8.35 3.85 0.00 2.07 1.91 0.00 3.16 0.00 0.00 3.09 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 53 R 8.42 3.84 0.00 1.88 2.07 0.00 3.09 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 1.63 1.71 0.00 54 I 7.81 3.74 2.05 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 1.44 0.72 0.93 0.00 0.00 55 A 8.52 4.05 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 56 A 8.07 4.10 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 57 G 8.02 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 0.00 0.00 0.00 58 S 7.93 4.83 0.00 4.05 4.08 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 0.00 0.00 0.00 59 G 7.21 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.11 0.00 2.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 62 V 8.44 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 63 Q 8.28 3.69 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 64 D 8.56 4.30 0.00 2.86 2.70 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 65 V 7.68 3.55 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 1.02 0.00 0.00 0.96 0.00 0.00 66 N 9.03 4.41 0.00 2.73 2.85 0.00 0.00 7.23 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 67 R 7.81 4.06 0.00 1.90 1.91 0.00 3.35 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 68 L 8.13 4.17 0.00 1.72 1.91 0.88 0.71 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 69 L 7.92 4.09 0.00 1.91 1.73 0.91 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 70 K 8.30 3.94 0.00 1.83 2.00 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 71 Q 7.88 3.98 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 72 F 8.05 3.32 0.00 2.32 3.04 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 73 D 7.92 4.19 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.33 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 4.08 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 7.48 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 77 R 7.87 3.95 0.00 1.83 1.91 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 *80 K 7.56 4.20 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 81 K 7.97 4.19 0.00 1.85 1.59 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.