NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5749 8.1401 118.9257 56.3278 39.3599 174.7928 2 A 3.8696 8.3733 122.4329 51.3984 16.6447 174.3659 3 E 3.3039 8.3821 122.9472 59.4337 30.6813 176.6411 4 G 3.6641 8.1192 104.7078 46.9234 0.0000 174.9833 5 T 3.9674 8.0849 119.0292 67.0125 68.5733 175.9344 6 F 4.3748 8.1841 116.3035 59.9498 37.8446 177.5318 7 I 2.9088 6.2386 119.6783 63.8058 36.9249 177.9559 8 S 4.0151 8.0962 114.1806 61.6079 62.2131 175.7175 9 D 4.4164 8.5337 120.9892 57.4932 40.9021 177.6695 10 Y 4.0019 8.5653 120.4628 60.6582 38.7651 177.7301 11 S 4.1100 8.7712 114.4700 61.3386 62.4952 176.0405 12 I 3.6363 8.2594 122.6953 64.3852 36.8736 178.1391 13 A 3.8879 8.2567 121.8487 55.2752 18.1455 179.2132 14 M 3.7391 8.0299 116.9663 58.8711 32.0314 177.9749 15 D 4.3423 8.2636 118.3255 57.3106 41.3780 178.1292 16 K 3.9918 8.6928 120.4950 59.1911 32.1682 178.6961 17 I 3.6949 8.2950 120.8449 64.6937 37.0299 177.8151 18 H 4.2075 7.7039 115.1221 58.9959 28.0952 177.2615 19 Q 3.9954 7.2623 120.8352 58.7932 28.8795 178.0207 20 Q 3.9800 8.7001 120.9801 59.3739 29.1747 177.7635 21 D 4.4741 8.7114 120.2952 57.4491 40.7581 178.7180 22 F 4.2498 8.5559 121.2638 61.2046 39.3705 177.3667 23 V 3.6223 8.3969 118.2256 66.2933 31.4805 177.4842 24 N 4.3011 8.7966 116.5086 56.2664 38.3023 177.2122 25 W 4.0880 8.7290 129.7759 60.5132 30.6404 177.9005 26 L 3.0872 7.6112 117.6745 57.6635 41.2076 179.3283 27 L 4.0005 8.2223 118.9286 57.6749 41.3214 179.4168 28 A 3.9859 8.0216 120.0873 54.8208 18.2382 178.5441 29 Q 4.2650 7.3782 115.2464 55.8447 29.0431 176.0646 30 K 4.4375 7.5253 120.7437 57.8456 35.7579 178.4468 31 G 3.7804 8.2556 107.6025 47.9209 0.0000 173.4698 32 K 4.6569 7.5510 119.0201 55.7628 32.7181 178.0558 33 K 3.9458 8.2506 121.9356 60.7336 32.8153 177.0085 34 N 4.5151 8.3953 114.4429 56.6312 38.7604 175.9250 35 D 4.2140 8.3826 117.2277 55.7705 41.6805 176.6824 36 W 3.5065 8.7278 114.2504 58.9778 28.0324 174.5311 37 K 3.8239 8.0880 111.9066 58.0206 29.2604 172.9900 38 H 4.4670 7.4256 119.9603 57.3073 37.7807 174.1157 39 N 4.1987 7.1204 115.6874 56.1223 38.5222 175.6883 40 I 3.3964 7.5980 116.8994 61.2715 38.4195 174.6582 41 T 4.2019 8.4560 117.2690 63.1508 70.0761 174.3443 42 Q 4.0903 7.8627 126.2115 55.8251 29.1084 174.9281 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 Y 8.14 4.57 0.00 3.16 3.08 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 2 A 8.37 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 3 E 8.38 3.30 0.00 1.69 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 4 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.08 3.97 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 6 F 8.18 4.37 0.00 3.32 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 I 6.24 2.91 1.59 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.75 0.00 0.00 8 S 8.10 4.02 0.00 3.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.42 0.00 2.86 2.91 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 0.00 0.00 0.00 10 Y 8.57 4.00 0.00 3.31 3.08 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 11 S 8.77 4.11 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 3.64 1.92 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 1.45 0.70 0.90 0.00 0.00 13 A 8.26 3.89 1.25 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 0.00 0.00 14 M 8.03 3.74 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 15 D 8.26 4.34 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 3.99 0.00 1.87 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 17 I 8.30 3.69 1.87 0.00 0.00 0.77 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 0.44 0.95 0.00 0.00 18 H 7.70 4.21 0.00 3.54 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.26 4.00 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 20 Q 8.70 3.98 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 21 D 8.71 4.47 0.00 2.94 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 22 F 8.56 4.25 0.00 3.32 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 23 V 8.40 3.62 2.26 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 1.14 0.00 0.00 1.09 0.00 0.00 24 N 8.80 4.30 0.00 2.99 2.92 0.00 0.00 6.80 7.59 0.00 0.00 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 W 8.73 4.09 0.00 3.28 3.22 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 0.00 26 L 7.61 3.09 0.00 1.61 1.47 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.22 4.00 0.00 1.75 1.66 0.91 0.72 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 28 A 8.02 3.99 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 29 Q 7.38 4.27 0.00 1.51 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.77 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 30 K 7.53 4.44 0.00 1.58 1.69 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.36 7.81 31 G 8.26 3.78 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 0.00 0.00 0.00 32 K 7.55 4.66 0.00 1.97 1.91 0.00 1.38 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.49 7.81 33 K 8.25 3.95 0.00 1.86 1.89 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.37 7.81 34 N 8.40 4.52 0.00 2.77 2.96 0.00 0.00 6.87 8.08 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 35 D 8.38 4.21 0.00 2.69 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 36 W 8.73 3.51 0.00 3.68 3.24 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 0.00 0.00 0.00 37 K 8.09 3.82 0.00 1.87 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.39 1.46 7.81 38 H 7.43 4.47 0.00 2.15 1.31 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.12 4.20 0.00 2.66 2.79 0.00 0.00 6.70 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.60 3.40 1.92 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 1.29 0.67 0.76 0.00 0.00 41 T 8.46 4.20 4.20 0.00 0.00 0.00 0.00 0.00 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 42 Q 7.86 4.09 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00