NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1222 8.2549 117.2592 54.8293 30.8472 175.1521 2 P 4.0085 0.0000 0.0000 62.4758 32.0530 175.9208 3 D 4.3166 8.3187 120.7776 57.2610 41.6130 178.7135 4 F 4.4176 7.8689 114.6330 59.7221 37.6478 177.5096 5 C 4.7132 7.2490 116.0144 58.6958 39.9964 174.5366 6 L 4.3308 7.7757 119.4987 54.1833 42.3246 176.7056 7 E 4.2023 7.7946 119.4410 55.4028 30.0346 175.0789 8 P 4.5725 0.0000 0.0000 61.1214 32.5231 174.3077 9 P 3.6243 0.0000 0.0000 62.6318 31.3898 175.2116 10 Y 4.6450 7.8205 121.3352 56.0708 40.4373 175.4462 11 T 4.1955 8.2564 125.3327 64.6990 68.9096 176.2255 12 G 3.7494 6.7172 104.9151 44.0981 0.0000 171.4549 13 P 4.2864 0.0000 0.0000 64.9943 31.4283 177.8041 14 C 4.4709 7.8195 116.7388 56.6783 40.6489 173.9591 15 K 3.9995 8.2347 118.9594 57.2853 33.1459 176.7269 16 A 4.1670 7.8140 122.6674 52.0628 19.8650 176.9404 17 R 5.0422 8.1379 117.1320 54.1622 30.3347 174.3286 18 I 4.4626 8.4596 122.7244 59.3112 40.2424 174.9160 19 I 4.3264 8.1229 126.5323 61.0998 38.0897 175.3279 20 R 4.5532 8.3045 124.2294 54.7988 35.2621 173.3351 21 Y 5.7167 9.1485 117.8550 56.6408 41.0242 175.2638 22 F 5.7220 9.3002 116.3931 55.5860 42.3490 172.7286 23 Y 4.4265 9.9286 122.9868 57.0909 40.0399 174.0903 24 N 4.4462 8.3314 126.7598 51.5400 38.3389 174.8493 25 A 3.8725 8.5032 128.4952 55.0802 18.6472 178.9171 26 K 3.9611 8.1928 113.0243 59.2454 32.1712 177.9729 27 A 4.1798 7.9275 119.4559 51.7038 19.4192 176.9650 28 G 4.2662 7.9318 104.1141 45.5962 0.0000 173.0231 29 L 4.6493 6.6901 118.1411 53.6372 46.1518 174.8745 30 C 5.0554 8.6310 120.3025 56.1640 43.1232 172.8019 31 Q 4.8055 8.5218 120.9223 54.4765 33.3513 174.2314 32 T 5.1211 8.4682 110.5218 61.2979 70.9194 173.7639 33 F 4.9118 8.5677 115.4270 56.0954 41.7103 173.1792 34 V 4.2854 8.4770 120.6409 62.1992 32.1431 174.4009 35 Y 4.7180 9.0600 130.9546 56.5890 40.0124 176.4495 36 G 3.8789 8.3331 113.4528 46.3323 0.0000 175.0985 37 G 3.8295 6.5735 106.8388 45.2624 0.0000 172.0808 38 C 4.8349 7.0827 111.9600 54.7895 44.5663 173.1096 39 R 3.7730 8.7101 116.0485 57.2615 27.1799 176.9210 40 A 4.3924 8.1753 118.5630 52.2982 19.2972 177.8248 41 K 4.4437 8.1922 119.9452 54.3806 34.4687 177.0915 42 R 3.4672 8.2311 118.5164 59.4368 30.1780 177.7198 43 N 4.8726 7.6195 117.4022 51.6098 36.6210 174.2602 44 N 5.0657 6.9671 117.0754 52.9091 41.6212 173.4258 45 F 4.9144 9.7437 126.2254 55.5194 41.6733 177.0974 46 K 4.0287 9.1763 124.3214 58.3297 32.8184 177.2783 47 S 4.7886 8.0234 112.7719 56.0340 65.0441 174.2653 48 A 3.2088 7.9241 130.6302 54.8041 18.1959 179.0531 49 E 3.7240 7.9508 117.2869 59.7129 29.5719 178.7186 50 D 4.2873 7.8744 118.3230 57.3344 40.8070 177.7861 51 C 2.4510 7.6014 118.6204 59.4855 43.0985 175.7251 52 M 3.8737 7.7653 118.1986 57.9534 30.4968 178.2824 53 R 3.8915 7.4450 119.1199 59.2097 30.3611 178.1277 54 T 4.0574 7.8141 115.0791 66.0854 68.7166 175.5023 55 C 4.4233 8.0510 116.3084 57.0455 41.4988 174.1864 56 G 3.5638 7.4843 113.7649 45.5982 0.0000 173.2941 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 R 8.25 4.12 0.00 1.72 1.80 0.00 3.00 0.00 0.00 2.97 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 2 P 0.00 4.01 0.00 0.97 1.56 0.00 3.33 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 3 D 8.32 4.32 0.00 2.75 2.73 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 4 F 7.87 4.42 0.00 3.40 3.35 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 5 C 7.25 4.71 0.00 2.89 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 6 L 7.78 4.33 0.00 1.81 1.76 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.79 4.20 0.00 2.08 1.91 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 0.00 2.39 2.47 0.00 8 P 0.00 4.57 0.00 2.08 2.02 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 9 P 0.00 3.62 0.00 0.62 0.49 0.00 3.30 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.47 0.00 10 Y 7.82 4.64 0.00 2.76 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 11 T 8.26 4.20 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 1.20 0.00 0.00 12 G 6.72 3.75 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 0.00 0.00 0.00 13 P 0.00 4.29 0.00 2.17 2.20 0.00 3.79 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 1.97 2.03 0.00 14 C 7.82 4.47 0.00 2.92 2.96 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 15 K 8.23 4.00 0.00 1.78 1.86 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.43 7.81 16 A 7.81 4.17 1.18 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 0.00 0.00 0.00 17 R 8.14 5.04 0.00 1.60 1.78 0.00 3.15 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.46 4.46 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.92 0.00 0.00 19 I 8.12 4.33 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.58 0.00 0.00 20 R 8.30 4.55 0.00 0.67 1.67 0.00 3.37 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 21 Y 9.15 5.72 0.00 3.25 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 22 F 9.30 5.72 0.00 3.26 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 23 Y 9.93 4.43 0.00 3.17 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 24 N 8.33 4.45 0.00 2.19 2.44 0.00 0.00 6.62 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 25 A 8.50 3.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.19 3.96 0.00 1.91 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 27 A 7.93 4.18 1.18 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 0.00 0.00 0.00 28 G 7.93 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 0.00 0.00 0.00 0.00 29 L 6.69 4.65 0.00 1.51 1.29 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.63 5.06 0.00 2.90 3.07 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 0.00 0.00 0.00 31 Q 8.52 4.81 0.00 1.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 32 T 8.47 5.12 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 1.08 0.00 0.00 33 F 8.57 4.91 0.00 2.97 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 34 V 8.48 4.29 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 9.06 4.72 0.00 2.55 2.72 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 36 G 8.33 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.57 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.08 4.83 0.00 3.05 2.96 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 39 R 8.71 3.77 0.00 2.11 2.33 0.00 3.31 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 40 A 8.18 4.39 1.11 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 41 K 8.19 4.44 0.00 1.71 1.65 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.08 1.06 7.81 42 R 8.23 3.47 0.00 1.43 0.66 0.00 2.81 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 43 N 7.62 4.87 0.00 3.20 2.86 0.00 0.00 6.96 7.46 0.00 0.00 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 N 6.97 5.07 0.00 2.73 2.57 0.00 0.00 7.10 7.02 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 45 F 9.74 4.91 0.00 3.23 3.15 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 0.00 0.00 0.00 0.00 46 K 9.18 4.03 0.00 1.78 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.02 4.79 0.00 3.93 3.89 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 0.00 0.00 0.00 48 A 7.92 3.21 0.45 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.95 3.72 0.00 1.96 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 2.33 2.35 0.00 50 D 7.87 4.29 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.60 2.45 0.00 2.78 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 52 M 7.77 3.87 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 53 R 7.44 3.89 0.00 1.79 1.89 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 54 T 7.81 4.06 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 1.53 0.00 0.00 55 C 8.05 4.42 0.00 2.60 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 0.00 0.00 0.00 56 G 7.48 3.56 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 0.00 0.00 0.00