NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3473 8.2549 117.2816 56.1268 30.8598 173.8861 2 S 4.5184 8.2812 112.8111 56.4656 65.4858 173.3280 3 C 5.1469 8.7074 121.6575 55.4133 42.0678 172.3864 4 I 4.8259 8.1822 116.6250 59.3806 40.9456 173.8120 5 D 4.9578 8.3384 120.1295 52.5819 41.6287 175.4209 6 T 4.1759 8.9546 115.4081 63.3223 67.9287 174.8405 7 I 4.7020 6.9858 110.1213 58.9583 41.6039 173.2524 8 P 4.9157 0.0000 0.0000 62.5449 31.1978 177.8256 9 K 4.6046 8.7039 114.2651 59.3629 32.5154 177.9233 10 S 4.1898 8.3167 112.5788 61.0673 62.0125 175.8208 11 R 4.8415 8.0902 117.0728 55.7096 31.1170 174.9557 12 C 5.0487 8.5691 115.8977 54.9431 42.1622 173.6787 13 T 5.0294 8.1760 113.0979 58.9169 72.9108 174.6348 14 A 3.7894 8.7346 124.0110 55.5413 18.1829 180.1447 15 F 3.6816 8.1093 118.5628 61.7096 39.6227 177.3827 16 Q 3.8148 7.9922 117.1862 58.7309 28.3022 177.9319 17 C 4.3351 8.6818 117.7652 59.3875 40.3446 175.2591 18 K 4.0007 7.9803 120.3992 58.6040 32.0856 177.9366 19 H 4.5727 7.8916 115.7406 57.2346 29.9489 176.6199 20 S 4.2100 7.6263 120.2925 56.8158 61.7723 174.1966 21 M 4.0136 8.3437 125.5742 58.7235 30.7127 178.6685 22 K 3.9241 7.9084 118.3146 58.9956 32.2431 178.8897 23 Y 3.3729 8.2640 117.9283 60.6645 37.6457 178.1209 24 R 3.9984 7.8607 119.0213 59.1075 30.3239 177.7184 25 L 4.3095 8.4019 116.4073 56.2579 41.8354 177.1326 26 S 4.8164 7.6844 111.6193 60.1758 70.0800 175.5557 27 F 4.2802 9.3807 119.5742 60.5161 38.7290 177.0032 28 C 5.1339 8.7788 117.6824 56.6000 34.8619 175.7536 29 R 4.6325 8.4608 117.0412 56.9825 29.8211 178.7635 30 K 4.1701 8.1269 118.0980 59.3977 33.5162 176.9123 31 T 4.7294 7.5888 116.8965 65.4385 76.4400 175.9429 32 C 4.2568 8.5164 119.9782 59.2020 43.8470 174.7705 33 G 4.3898 8.2879 107.0331 46.8686 0.0000 176.0877 34 T 4.7474 7.2863 110.6525 60.0506 69.3985 174.5065 35 C 4.4913 8.2610 125.0780 58.8716 42.9118 174.0059 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 4.35 0.00 1.94 2.05 0.00 2.95 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 2 S 8.28 4.52 0.00 3.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.71 5.15 0.00 2.88 3.27 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 4 I 8.18 4.83 1.86 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 1.40 0.92 0.91 0.00 0.00 5 D 8.34 4.96 0.00 3.06 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.95 4.18 4.10 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 0.00 0.00 0.00 0.88 0.00 0.00 7 I 6.99 4.70 1.85 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 1.27 0.44 0.80 0.00 0.00 8 P 0.00 4.92 0.00 2.23 2.09 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 9 K 8.70 4.60 0.00 1.87 1.89 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.53 7.81 10 S 8.32 4.19 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 4.84 0.00 1.85 2.05 0.00 3.20 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 12 C 8.57 5.05 0.00 3.12 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 13 T 8.18 5.03 4.30 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 1.35 0.00 0.00 14 A 8.73 3.79 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 15 F 8.11 3.68 0.00 3.09 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 16 Q 7.99 3.81 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 17 C 8.68 4.34 0.00 2.95 3.32 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 18 K 7.98 4.00 0.00 1.74 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 19 H 7.89 4.57 0.00 2.63 2.90 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.63 4.21 0.00 3.22 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.34 4.01 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 22 K 7.91 3.92 0.00 1.73 1.93 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.53 7.81 23 Y 8.26 3.37 0.00 3.06 2.89 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 24 R 7.86 4.00 0.00 2.02 1.91 0.00 3.34 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 25 L 8.40 4.31 0.00 1.77 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.68 4.82 0.00 4.18 3.98 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 0.00 0.00 0.00 27 F 9.38 4.28 0.00 2.94 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 28 C 8.78 5.13 0.00 3.12 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 29 R 8.46 4.63 0.00 2.03 2.00 0.00 3.43 0.00 0.00 3.37 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 30 K 8.13 4.17 0.00 1.84 2.01 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.51 7.81 31 T 7.59 4.73 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 1.22 0.00 0.00 32 C 8.52 4.26 0.00 2.96 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 33 G 8.29 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.29 4.75 4.25 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 1.22 0.00 0.00 35 C 8.26 4.49 0.00 3.08 2.94 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