NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0523 8.0393 114.0512 61.2216 31.9551 174.2682 2 Q 4.1520 8.4439 123.7314 54.7059 29.7383 174.8347 3 C 4.8469 8.2855 119.6260 53.8830 44.7855 173.0797 4 P 4.4066 0.0000 0.0000 62.9947 31.8003 176.8961 5 H 4.0414 9.0911 119.0046 59.4017 28.6428 177.2146 6 F 4.4107 8.2570 112.1622 59.4215 37.4425 177.3690 7 C 4.2907 7.6914 117.3275 59.5789 39.9530 174.3515 8 Y 4.5326 7.7001 116.2691 58.7185 38.8435 176.3867 9 E 4.4894 8.1547 116.9823 56.2708 29.6168 175.5212 10 L 4.8861 7.4772 118.2591 52.5197 44.5864 175.8816 11 D 4.4126 8.3843 119.1115 57.5378 41.1038 176.5178 12 Y 4.6189 7.6255 120.6207 56.9097 39.9371 175.2861 13 E 4.1463 7.9091 124.8056 55.3563 29.0284 176.3408 14 L 4.1340 8.2449 123.8078 55.3407 42.5066 178.0045 15 C 4.6323 7.5784 116.3488 54.7667 41.0469 171.5259 16 P 4.5725 0.0000 0.0000 62.1551 31.8788 177.3492 17 D 4.4989 8.9152 120.1003 57.8943 40.7195 179.7715 18 V 3.8076 7.6081 115.9111 63.6673 31.5290 177.6006 19 C 4.3099 7.9947 118.4534 59.0345 40.2283 174.1102 20 Y 4.4070 7.4771 115.6281 57.2162 38.5303 175.8148 21 V 3.6776 7.9289 123.3992 63.3265 32.6268 171.9322 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 V 8.04 4.05 2.04 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 0.89 0.00 0.00 0.90 0.00 0.00 2 Q 8.44 4.15 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 3 C 8.29 4.85 0.00 2.86 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 4 P 0.00 4.41 0.00 1.74 2.03 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.56 0.00 5 H 9.09 4.04 0.00 3.30 3.62 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.26 4.41 0.00 3.12 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.69 4.29 0.00 1.77 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.70 4.53 0.00 2.97 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 9 E 8.15 4.49 0.00 2.09 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 2.39 2.46 0.00 10 L 7.48 4.89 0.00 1.69 1.63 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.38 4.41 0.00 2.74 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 12 Y 7.63 4.62 0.00 2.81 2.86 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 13 E 7.91 4.15 0.00 1.48 1.27 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 1.79 2.00 0.00 14 L 8.24 4.13 0.00 1.72 1.83 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.58 4.63 0.00 2.48 2.71 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 0.00 0.00 0.00 16 P 0.00 4.57 0.00 2.10 1.93 0.00 3.45 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 17 D 8.92 4.50 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.61 3.81 2.04 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 0.64 0.00 0.00 0.90 0.00 0.00 19 C 7.99 4.31 0.00 1.64 2.42 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 20 Y 7.48 4.41 0.00 3.06 2.99 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 0.00 0.00 0.00 21 V 7.93 3.68 2.13 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 0.73 0.00 0.00 0.95 0.00 0.00