#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 n SER 2 N 0.00 -6.31 -0.06 1.61 2.88 -1.26 -4.94 113.62 105.54 1ue9 n SER 2 Ca 0.00 0.20 -0.04 0.00 -1.33 0.00 0.00 58.87 57.70 1ue9 n SER 2 Cb 0.00 -2.41 -0.03 0.00 -0.75 0.00 0.00 64.21 61.02 1ue9 n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ue9 h SER 3 N 2.56 0.00 -1.17 -3.46 0.87 -2.07 -3.50 113.55 106.77 1ue9 h SER 3 Ca -0.30 -0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.21 1ue9 h SER 3 Cb 1.14 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1ue9 h SER 3 CO 0.15 0.70 -0.10 0.61 -0.53 0.00 0.00 176.83 177.67 1ue9 n GLY 4 N 1.69 -0.87 2.62 5.77 0.00 -1.26 -4.31 105.19 108.82 1ue9 n GLY 4 Ca -0.06 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1ue9 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ue9 n SER 5 N -3.53 4.49 -3.62 1.61 7.64 -1.26 -4.87 113.62 114.08 1ue9 n SER 5 Ca 0.00 -3.42 -0.20 0.00 1.01 0.00 0.00 58.87 56.26 1ue9 n SER 5 Cb 0.13 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1ue9 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ue9 n SER 6 N 1.06 -5.59 -3.75 6.43 7.64 -1.26 -4.94 113.62 113.21 1ue9 n SER 6 Ca 0.28 -0.77 -0.30 0.00 1.01 0.00 0.00 58.87 59.09 1ue9 n SER 6 Cb 0.38 -2.72 0.24 0.00 -1.01 0.00 0.00 64.21 61.10 1ue9 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ue9 s GLY 7 N -3.06 1.63 -0.30 0.23 0.00 -1.26 -4.98 107.32 99.57 1ue9 s GLY 7 Ca 0.07 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 43.49 1ue9 s GLY 7 CO 0.86 -0.18 0.70 -0.54 0.00 0.00 0.00 173.10 173.94 1ue9 s GLU 8 N -5.57 3.94 0.14 2.90 2.02 -1.26 -4.90 118.70 115.98 1ue9 s GLU 8 Ca 0.72 0.44 -0.14 0.00 0.02 0.00 0.00 54.97 56.01 1ue9 s GLU 8 Cb -0.07 -3.72 -0.07 0.00 0.10 0.00 0.00 34.13 30.37 1ue9 s GLU 8 CO 0.55 -0.61 0.55 0.42 0.02 0.00 0.00 175.26 176.19 1ue9 s ILE 9 N 2.75 4.86 -0.03 -1.63 -1.09 -1.26 -1.15 121.20 123.65 1ue9 s ILE 9 Ca 0.28 0.84 0.05 0.00 -2.23 0.00 0.00 60.65 59.59 1ue9 s ILE 9 Cb -0.15 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1ue9 s ILE 9 CO 0.12 0.26 -0.16 0.00 -1.23 0.00 0.00 174.94 173.93 1ue9 s ALA 10 N -1.44 1.38 -0.31 9.38 0.00 -0.53 -1.20 121.76 129.05 1ue9 s ALA 10 Ca 0.37 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 1ue9 s ALA 10 Cb -0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1ue9 s ALA 10 CO 0.19 0.30 0.16 -1.14 0.00 0.00 0.00 175.76 175.26 1ue9 s GLN 11 N -0.17 3.43 0.20 0.00 0.74 0.96 -2.43 119.66 122.38 1ue9 s GLN 11 Ca 0.02 -0.66 -0.33 0.00 0.05 0.00 0.00 55.36 54.44 1ue9 s GLN 11 Cb -0.08 -3.57 -0.13 0.00 1.10 0.00 0.00 33.01 30.32 1ue9 s GLN 11 CO 0.01 -0.38 1.61 0.28 -0.55 0.00 0.00 175.29 176.25 1ue9 n VAL 12 N 4.99 0.19 0.10 1.34 0.31 -1.19 -0.93 118.33 123.15 1ue9 n VAL 12 Ca -0.14 -0.05 0.02 0.00 -0.01 0.00 0.00 64.34 64.16 1ue9 n VAL 12 Cb 0.50 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 1ue9 n VAL 12 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ue9 n THR 13 N 3.31 0.00 -3.71 2.52 -2.24 0.23 -3.86 114.28 110.53 1ue9 n THR 13 Ca 0.15 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1ue9 n THR 13 Cb 0.32 0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 69.10 1ue9 n THR 13 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ue9 s SER 14 N -2.03 -0.32 0.51 3.42 0.01 -0.42 -4.95 113.70 109.91 1ue9 s SER 14 Ca -0.00 0.66 -0.23 0.00 1.31 0.00 0.00 55.95 57.69 1ue9 s SER 14 Cb 0.03 0.56 -0.06 0.00 0.21 0.00 0.00 66.02 66.76 1ue9 s SER 14 CO 0.19 -0.18 1.34 0.00 0.41 0.00 0.00 173.24 175.01 1ue9 s ALA 15 N 1.38 2.95 0.04 1.44 0.00 -1.26 -4.67 121.76 121.64 1ue9 s ALA 15 Ca -0.09 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1ue9 s ALA 15 Cb -0.10 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1ue9 s ALA 15 CO -0.10 -1.21 -0.05 -0.47 0.00 0.00 0.00 175.76 173.94 1ue9 s TYR 16 N -1.31 0.48 -0.14 0.00 5.04 0.65 -4.96 117.35 117.10 1ue9 s TYR 16 Ca 0.67 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1ue9 s TYR 16 Cb -0.39 -0.31 0.03 0.00 0.35 0.00 0.00 41.96 41.63 1ue9 s TYR 16 CO 0.48 -0.19 -0.11 0.08 -1.34 0.00 0.00 175.55 174.47 1ue9 s VAL 17 N -2.07 1.36 0.18 3.14 1.01 -1.26 -2.68 120.40 120.08 1ue9 s VAL 17 Ca -0.08 -0.56 -0.33 0.00 0.00 0.00 0.00 61.98 61.01 1ue9 s VAL 17 Cb -0.05 -1.34 -0.14 0.00 0.00 0.00 0.00 36.38 34.84 1ue9 s VAL 17 CO -0.03 0.37 1.45 0.00 0.00 0.00 0.00 175.10 176.89 1ue9 n ALA 18 N 4.83 0.80 -2.81 5.51 0.00 -1.26 -4.91 120.51 122.67 1ue9 n ALA 18 Ca -0.15 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 1ue9 n ALA 18 Cb 0.49 -2.26 0.01 0.00 0.00 0.00 0.00 19.45 17.70 1ue9 n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ue9 n SER 19 N 2.73 1.19 0.00 0.00 7.64 -1.26 -5.03 113.62 118.89 1ue9 n SER 19 Ca 0.15 -2.80 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1ue9 n SER 19 Cb 0.28 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1ue9 n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 20 N 0.03 1.60 1.07 0.23 0.00 -1.26 -5.07 105.19 101.78 1ue9 n GLY 20 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ue9 n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ue9 n SER 21 N 0.00 0.00 -1.68 1.61 2.88 -1.26 -4.90 113.62 110.26 1ue9 n SER 21 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ue9 n SER 21 Cb 0.00 0.15 0.15 0.00 -0.75 0.00 0.00 64.21 63.76 1ue9 n SER 21 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ue9 n GLU 22 N -2.04 2.30 -2.97 -1.46 4.71 -1.26 -5.00 120.64 114.92 1ue9 n GLU 22 Ca 0.00 -3.32 -0.22 0.00 -0.01 0.00 0.00 57.16 53.61 1ue9 n GLU 22 Cb 0.00 -2.03 0.01 0.00 -1.01 0.00 0.00 31.44 28.42 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1ue9 s GLN 23 N -3.41 2.97 -0.05 3.49 1.11 -1.26 0.71 119.66 123.22 1ue9 s GLN 23 Ca 0.51 -0.62 0.03 0.00 0.01 0.00 0.00 55.36 55.29 1ue9 s GLN 23 Cb 0.44 -2.58 0.01 0.00 -1.01 0.00 0.00 33.01 29.87 1ue9 s GLN 23 CO 0.02 -0.31 -0.12 -1.17 0.01 0.00 0.00 175.29 173.72 1ue9 s LEU 24 N -4.55 1.71 0.04 2.90 2.96 -1.09 -4.37 118.68 116.28 1ue9 s LEU 24 Ca 0.50 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.84 1ue9 s LEU 24 Cb -0.10 -0.75 -0.05 0.00 0.50 0.00 0.00 46.19 45.80 1ue9 s LEU 24 CO 0.37 0.06 1.07 -0.44 -1.32 0.00 0.00 176.35 176.09 1ue9 s SER 25 N 0.44 7.26 0.01 3.68 0.01 -1.26 -4.55 113.70 119.29 1ue9 s SER 25 Ca -0.09 1.83 0.03 0.00 1.31 0.00 0.00 55.95 59.03 1ue9 s SER 25 Cb -0.13 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1ue9 s SER 25 CO 0.02 -0.32 -0.03 -0.76 0.41 0.00 0.00 173.24 172.56 1ue9 s LEU 26 N 0.85 3.34 0.01 2.44 1.43 -1.09 -4.96 118.68 120.70 1ue9 s LEU 26 Ca 0.54 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1ue9 s LEU 26 Cb -0.25 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1ue9 s LEU 26 CO 0.29 0.27 -0.14 0.00 0.23 0.00 0.00 176.35 177.00 1ue9 s ALA 27 N -1.07 1.17 -0.32 4.21 0.00 -1.26 -0.25 121.76 124.22 1ue9 s ALA 27 Ca 0.19 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1ue9 s ALA 27 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1ue9 s ALA 27 CO 0.10 0.26 1.36 -1.25 0.00 0.00 0.00 175.76 176.23 1ue9 s PRO 28 N -0.66 3.81 0.00 0.00 0.04 -1.26 -2.85 135.00 134.09 1ue9 s PRO 28 Ca 0.04 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1ue9 s PRO 28 Cb -0.06 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1ue9 s PRO 28 CO 0.00 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1ue9 n GLY 29 N 4.55 1.53 3.65 0.56 0.00 -1.25 -5.03 105.19 109.20 1ue9 n GLY 29 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1ue9 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ue9 s GLN 30 N -0.01 2.02 0.01 1.61 -0.21 -1.13 -5.04 119.66 116.91 1ue9 s GLN 30 Ca 0.00 -2.19 0.07 0.00 0.02 0.00 0.00 55.36 53.25 1ue9 s GLN 30 Cb 0.00 -1.54 -0.02 0.00 1.00 0.00 0.00 33.01 32.45 1ue9 s GLN 30 CO 0.00 -0.16 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.29 1ue9 s LEU 31 N -3.75 2.10 -0.01 2.90 1.43 -1.26 -3.15 118.68 116.93 1ue9 s LEU 31 Ca 0.26 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1ue9 s LEU 31 Cb 0.07 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.27 1ue9 s LEU 31 CO 0.13 0.21 -0.04 -0.63 0.23 0.00 0.00 176.35 176.26 1ue9 s ILE 32 N -0.62 0.31 -0.17 -0.59 1.01 -1.02 0.70 121.20 120.81 1ue9 s ILE 32 Ca 0.08 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 1ue9 s ILE 32 Cb -0.08 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1ue9 s ILE 32 CO 0.00 0.10 0.35 -0.22 0.00 0.00 0.00 174.94 175.17 1ue9 s LEU 33 N 0.01 4.21 -0.15 2.97 1.98 0.34 -1.45 118.68 126.60 1ue9 s LEU 33 Ca 0.00 0.55 -0.29 0.00 -2.89 0.00 0.00 54.13 51.50 1ue9 s LEU 33 Cb -0.03 -2.47 -0.01 0.00 0.66 0.00 0.00 46.19 44.35 1ue9 s LEU 33 CO -0.00 0.02 1.13 -0.63 -1.89 0.00 0.00 176.35 174.98 1ue9 s ILE 34 N 0.81 4.49 -0.17 6.68 -1.09 -0.30 0.38 121.20 132.00 1ue9 s ILE 34 Ca 0.19 1.80 -0.04 0.00 -2.23 0.00 0.00 60.65 60.36 1ue9 s ILE 34 Cb -0.14 -4.16 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 1ue9 s ILE 34 CO 0.06 -0.09 -0.19 0.18 -1.23 0.00 0.00 174.94 173.67 1ue9 n LEU 35 N 5.91 2.02 -3.94 2.97 4.77 -0.03 -4.42 117.00 124.28 1ue9 n LEU 35 Ca 0.12 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1ue9 n LEU 35 Cb 0.46 -0.54 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 1ue9 n LEU 35 CO 0.54 0.55 -0.36 -0.75 -1.33 0.00 0.00 177.39 176.04 1ue9 s LYS 36 N -2.32 0.20 0.13 3.23 2.20 0.30 -4.98 119.74 118.50 1ue9 s LYS 36 Ca -0.23 -0.38 0.06 0.00 -0.36 0.00 0.00 55.97 55.06 1ue9 s LYS 36 Cb 0.08 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1ue9 s LYS 36 CO 0.34 -0.03 -0.15 0.15 -0.36 0.00 0.00 175.35 175.30 1ue9 s LYS 37 N -0.92 1.09 0.08 4.03 1.02 -1.26 0.20 119.74 123.97 1ue9 s LYS 37 Ca -0.10 -1.29 0.03 0.00 0.02 0.00 0.00 55.97 54.63 1ue9 s LYS 37 Cb -0.06 -1.00 -0.03 0.00 -0.52 0.00 0.00 37.83 36.22 1ue9 s LYS 37 CO -0.01 0.19 -0.10 0.54 -0.92 0.00 0.00 175.35 175.05 1ue9 s ASN 38 N -2.55 1.32 -0.20 2.83 4.22 -1.19 -4.95 114.94 114.43 1ue9 s ASN 38 Ca 0.11 -0.72 -0.06 0.00 -2.14 0.00 0.00 52.86 50.05 1ue9 s ASN 38 Cb -0.05 0.01 -0.20 0.00 1.28 0.00 0.00 41.25 42.29 1ue9 s ASN 38 CO 0.04 -0.22 3.44 1.07 -2.04 0.00 0.00 177.10 179.39 1ue9 n THR 39 N 0.91 3.17 0.00 0.54 5.66 -1.26 -3.38 114.28 119.92 1ue9 n THR 39 Ca -0.19 -1.83 0.00 0.00 -3.05 0.00 0.00 64.05 58.98 1ue9 n THR 39 Cb 0.56 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.35 1ue9 n THR 39 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ue9 n SER 40 N 2.34 0.00 0.00 1.09 2.88 -1.26 -5.04 113.62 113.63 1ue9 n SER 40 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1ue9 n SER 40 Cb 0.81 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 1ue9 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 41 N 1.46 0.53 3.56 0.46 0.00 -1.22 -5.04 105.19 104.94 1ue9 n GLY 41 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ue9 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 42 N 0.00 3.11 -0.07 1.61 0.52 -1.26 0.94 118.94 123.79 1ue9 s TRP 42 Ca 0.00 0.25 -0.02 0.00 0.02 0.00 0.00 56.10 56.35 1ue9 s TRP 42 Cb 0.00 -3.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.03 1ue9 s TRP 42 CO 0.00 -0.73 0.05 -1.58 0.02 0.00 0.00 176.95 174.71 1ue9 s TRP 43 N 2.82 3.27 -0.63 -1.98 0.51 0.50 -3.15 118.94 120.28 1ue9 s TRP 43 Ca 0.25 0.26 -0.09 0.00 -2.12 0.00 0.00 56.10 54.40 1ue9 s TRP 43 Cb -0.14 -1.80 0.16 0.00 -0.81 0.00 0.00 33.47 30.88 1ue9 s TRP 43 CO 0.17 0.54 0.51 -1.14 -0.51 0.00 0.00 176.95 176.52 1ue9 s GLN 44 N -1.13 2.87 0.16 4.98 0.74 0.53 -0.20 119.66 127.62 1ue9 s GLN 44 Ca 0.16 -2.21 0.01 0.00 0.05 0.00 0.00 55.36 53.37 1ue9 s GLN 44 Cb -0.12 -4.04 -0.00 0.00 1.10 0.00 0.00 33.01 29.95 1ue9 s GLN 44 CO 0.05 -1.23 0.04 0.41 -0.55 0.00 0.00 175.29 174.02 1ue9 n GLY 45 N 4.21 3.84 3.03 2.59 0.00 -1.16 0.11 105.19 117.82 1ue9 n GLY 45 Ca 0.03 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.77 1ue9 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ue9 s GLU 46 N -2.60 1.09 0.26 1.61 2.12 0.16 -2.89 118.70 118.44 1ue9 s GLU 46 Ca 0.05 -0.37 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 1ue9 s GLU 46 Cb 0.00 -1.00 -0.09 0.00 0.26 0.00 0.00 34.13 33.29 1ue9 s GLU 46 CO 0.04 0.15 1.27 -1.17 -0.54 0.00 0.00 175.26 175.02 1ue9 s LEU 47 N 0.10 4.44 -0.92 2.70 2.96 0.18 0.13 118.68 128.27 1ue9 s LEU 47 Ca -0.02 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 1ue9 s LEU 47 Cb -0.08 -3.63 0.33 0.00 0.50 0.00 0.00 46.19 43.31 1ue9 s LEU 47 CO 0.01 -0.46 1.66 0.00 -1.32 0.00 0.00 176.35 176.23 1ue9 n GLN 48 N 1.69 4.81 -3.96 1.98 1.13 0.22 -4.52 117.38 118.73 1ue9 n GLN 48 Ca 0.03 -4.63 -0.09 0.00 -1.94 0.00 0.00 57.00 50.36 1ue9 n GLN 48 Cb 0.43 -2.41 -0.04 0.00 0.11 0.00 0.00 30.24 28.33 1ue9 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ue9 s ALA 49 N -4.14 -0.39 -0.26 -1.58 0.00 -1.26 -4.69 121.76 109.45 1ue9 s ALA 49 Ca 0.42 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 1ue9 s ALA 49 Cb 0.23 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 24.32 1ue9 s ALA 49 CO -0.15 -0.90 1.71 1.03 0.00 0.00 0.00 175.76 177.45 1ue9 s ARG 50 N -3.74 3.60 0.00 0.00 1.81 -1.26 -4.84 118.95 114.52 1ue9 s ARG 50 Ca 0.20 1.59 0.00 0.00 -1.72 0.00 0.00 55.73 55.80 1ue9 s ARG 50 Cb -0.02 -4.11 0.00 0.00 -0.45 0.00 0.00 34.95 30.37 1ue9 s ARG 50 CO 0.10 -1.53 0.00 0.41 -0.68 0.00 0.00 175.30 173.60 1ue9 n GLY 51 N 5.00 4.23 0.15 -3.53 0.00 -1.26 -5.07 105.19 104.70 1ue9 n GLY 51 Ca 0.21 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 1ue9 n GLY 51 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ue9 h LYS 52 N 0.00 -0.26 -1.03 1.61 3.64 -2.02 -3.42 116.57 115.08 1ue9 h LYS 52 Ca 0.00 0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.05 1ue9 h LYS 52 Cb 0.00 0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 31.64 1ue9 h LYS 52 CO 0.00 0.12 -0.73 0.36 -2.27 0.00 0.00 179.45 176.93 1ue9 n LYS 53 N -5.00 0.65 -3.01 1.90 2.85 -1.26 -5.04 118.16 109.25 1ue9 n LYS 53 Ca -0.09 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.79 1ue9 n LYS 53 Cb 0.26 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1ue9 n LYS 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ue9 n ARG 54 N 1.94 -0.28 -1.65 -1.58 1.74 -1.26 -4.67 116.66 110.90 1ue9 n ARG 54 Ca 0.16 0.73 -0.49 0.00 -0.77 0.00 0.00 57.85 57.48 1ue9 n ARG 54 Cb 0.57 -0.90 -0.05 0.00 -1.02 0.00 0.00 32.46 31.06 1ue9 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ue9 n GLN 55 N 1.29 1.73 -3.65 5.56 3.00 -1.26 -4.85 117.38 119.19 1ue9 n GLN 55 Ca 0.00 0.63 -0.06 0.00 -0.01 0.00 0.00 57.00 57.56 1ue9 n GLN 55 Cb 0.45 -2.36 -0.07 0.00 0.00 0.00 0.00 30.24 28.26 1ue9 n GLN 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1ue9 s LYS 56 N 1.37 0.56 -0.02 -1.09 2.36 -1.26 -0.65 119.74 121.02 1ue9 s LYS 56 Ca 0.84 1.20 -0.06 0.00 -2.55 0.00 0.00 55.97 55.40 1ue9 s LYS 56 Cb -0.81 0.37 0.02 0.00 -1.05 0.00 0.00 37.83 36.36 1ue9 s LYS 56 CO 0.45 -0.18 0.26 0.41 1.55 0.00 0.00 175.35 177.84 1ue9 n GLY 57 N 4.82 0.37 3.56 5.54 0.00 -1.14 -4.77 105.19 113.57 1ue9 n GLY 57 Ca -0.16 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1ue9 n GLY 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 58 N -2.17 3.22 0.20 1.61 0.52 0.22 -2.98 118.94 119.56 1ue9 s TRP 58 Ca 0.06 0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.36 1ue9 s TRP 58 Cb -0.00 -2.64 -0.05 0.00 -1.15 0.00 0.00 33.47 29.64 1ue9 s TRP 58 CO -0.00 -0.37 -0.15 -0.59 0.02 0.00 0.00 176.95 175.86 1ue9 s PHE 59 N 2.03 1.70 0.10 -1.98 -0.12 0.73 -2.68 117.98 117.75 1ue9 s PHE 59 Ca 0.13 -0.57 -0.30 0.00 -0.05 0.00 0.00 56.93 56.14 1ue9 s PHE 59 Cb -0.16 -0.80 -0.06 0.00 -0.63 0.00 0.00 43.02 41.37 1ue9 s PHE 59 CO 0.11 0.34 1.15 -1.25 -0.05 0.00 0.00 175.22 175.52 1ue9 s PRO 60 N -3.53 4.50 0.39 1.99 0.04 -1.25 0.19 135.00 137.32 1ue9 s PRO 60 Ca 0.21 1.73 0.28 0.00 0.04 0.00 0.00 61.00 63.26 1ue9 s PRO 60 Cb -0.01 -3.33 1.12 0.00 0.04 0.00 0.00 34.50 32.32 1ue9 s PRO 60 CO 0.07 -0.12 1.83 0.00 0.04 0.00 0.00 177.00 178.81 1ue9 h ALA 61 N 6.17 1.00 0.00 8.56 0.00 0.23 -2.06 119.26 133.17 1ue9 h ALA 61 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ue9 h ALA 61 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ue9 h ALA 61 CO 0.77 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.45 1ue9 n SER 62 N -2.65 0.00 -0.00 0.00 7.64 -1.26 -1.23 113.62 116.12 1ue9 n SER 62 Ca 0.02 0.48 0.10 0.00 1.01 0.00 0.00 58.87 60.48 1ue9 n SER 62 Cb 0.29 -0.49 -0.12 0.00 -1.01 0.00 0.00 64.21 62.88 1ue9 n SER 62 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ue9 n HIS 63 N -1.49 0.02 -4.56 1.43 -0.00 -0.77 -4.77 115.22 105.09 1ue9 n HIS 63 Ca 0.04 0.01 -0.26 0.00 -0.00 0.00 0.00 57.72 57.50 1ue9 n HIS 63 Cb 0.16 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.99 29.85 1ue9 n HIS 63 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1ue9 s VAL 64 N -3.19 1.01 -0.02 1.59 -7.23 -0.37 0.75 120.40 112.94 1ue9 s VAL 64 Ca 0.02 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1ue9 s VAL 64 Cb 0.15 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.62 1ue9 s VAL 64 CO 0.88 0.00 0.03 -1.59 -0.31 0.00 0.00 175.10 174.10 1ue9 s LYS 65 N -3.80 -0.02 0.20 4.82 -2.85 -0.11 -4.75 119.74 113.22 1ue9 s LYS 65 Ca 0.24 0.14 -0.30 0.00 -1.00 0.00 0.00 55.97 55.05 1ue9 s LYS 65 Cb 0.05 -0.17 -0.09 0.00 -2.06 0.00 0.00 37.83 35.55 1ue9 s LYS 65 CO 0.13 -0.12 1.38 -0.51 0.10 0.00 0.00 175.35 176.32 1ue9 s LEU 66 N 0.77 4.40 -0.00 2.77 1.43 -1.26 -0.03 118.68 126.75 1ue9 s LEU 66 Ca -0.06 2.48 0.12 0.00 -1.03 0.00 0.00 54.13 55.63 1ue9 s LEU 66 Cb -0.09 -3.61 0.35 0.00 0.03 0.00 0.00 46.19 42.88 1ue9 s LEU 66 CO -0.02 -0.62 1.29 0.18 0.23 0.00 0.00 176.35 177.41 1ue9 n LEU 67 N 2.87 2.18 0.00 1.79 4.77 -0.34 -4.89 117.00 123.38 1ue9 n LEU 67 Ca 0.08 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1ue9 n LEU 67 Cb 0.42 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1ue9 n LEU 67 CO 0.59 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1ue9 n GLY 68 N 1.10 0.98 3.58 -0.72 0.00 -1.26 -4.36 105.19 104.52 1ue9 n GLY 68 Ca 0.13 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1ue9 n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 69 N 0.00 3.37 -0.30 1.61 0.04 -1.26 -4.66 135.00 133.80 1ue9 s PRO 69 Ca 0.00 0.69 -0.22 0.00 0.04 0.00 0.00 61.00 61.52 1ue9 s PRO 69 Cb 0.00 -4.11 0.19 0.00 0.04 0.00 0.00 34.50 30.63 1ue9 s PRO 69 CO 0.00 -1.84 1.34 -1.12 0.04 0.00 0.00 177.00 175.42 1ue9 s SER 70 N 4.53 -0.10 0.00 6.66 0.01 -1.26 -5.07 113.70 118.47 1ue9 s SER 70 Ca 0.58 0.18 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1ue9 s SER 70 Cb -0.12 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1ue9 s SER 70 CO 0.28 -0.03 0.00 -0.24 0.41 0.00 0.00 173.24 173.66 1ue9 n SER 71 N 2.20 0.00 -4.61 2.44 2.88 -1.26 -4.69 113.62 110.58 1ue9 n SER 71 Ca -0.13 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.98 1ue9 n SER 71 Cb 0.57 0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 64.20 1ue9 n SER 71 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ue9 n GLU 72 N -2.01 2.15 0.00 -1.46 2.13 -1.26 -4.88 120.64 115.32 1ue9 n GLU 72 Ca 0.00 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1ue9 n GLU 72 Cb 0.00 -3.16 0.00 0.00 0.27 0.00 0.00 31.44 28.55 1ue9 n GLU 72 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1ue9 n ARG 73 N 8.43 0.00 -0.92 5.31 -4.01 -1.26 -5.16 116.66 119.05 1ue9 n ARG 73 Ca 0.28 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 57.21 1ue9 n ARG 73 Cb 0.43 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.80 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ue9 n ALA 74 N -0.01 -2.41 -2.62 2.89 0.00 -1.26 -4.92 120.51 112.18 1ue9 n ALA 74 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 53.44 53.63 1ue9 n ALA 74 Cb 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 19.45 18.34 1ue9 n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ue9 s SER 75 N -6.35 2.90 0.00 0.00 0.15 -1.26 -5.10 113.70 104.05 1ue9 s SER 75 Ca 0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1ue9 s SER 75 Cb 0.00 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1ue9 s SER 75 CO 0.00 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1ue9 n GLY 76 N 2.81 2.31 3.76 9.45 0.00 -1.26 -5.14 105.19 117.11 1ue9 n GLY 76 Ca -0.17 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1ue9 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 77 N 3.04 -0.46 0.28 1.61 0.04 -1.26 -5.04 135.00 133.22 1ue9 s PRO 77 Ca 0.00 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.72 1ue9 s PRO 77 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1ue9 s PRO 77 CO 0.00 -3.16 0.00 -1.13 0.04 0.00 0.00 177.00 172.75 1ue9 n SER 78 N -4.32 -0.49 -2.32 6.66 3.41 -1.26 -5.13 113.62 110.18 1ue9 n SER 78 Ca 0.15 0.48 -0.02 0.00 -0.26 0.00 0.00 58.87 59.23 1ue9 n SER 78 Cb 0.59 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 65.20 1ue9 n SER 78 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ue9 n SER 79 N -3.38 -4.22 0.00 4.04 7.64 -1.26 -5.35 113.62 111.09 1ue9 n SER 79 Ca 0.00 0.98 0.06 0.00 1.01 0.00 0.00 58.87 60.93 1ue9 n SER 79 Cb 0.00 -4.02 0.37 0.00 -1.01 0.00 0.00 64.21 59.54 1ue9 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64