#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 h SER 2 N 0.00 -0.78 0.00 1.61 0.87 -2.12 -3.46 113.55 109.67 1ue9 h SER 2 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ue9 h SER 2 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1ue9 h SER 2 CO 0.00 -0.41 0.00 -1.20 -0.53 0.00 0.00 176.83 174.69 1ue9 n SER 3 N -5.40 0.00 -4.07 6.23 7.64 -1.26 -5.18 113.62 111.59 1ue9 n SER 3 Ca -0.12 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.68 1ue9 n SER 3 Cb 0.37 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.47 1ue9 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ue9 s GLY 4 N 0.00 0.42 0.26 0.23 0.00 -1.26 -5.16 107.32 101.80 1ue9 s GLY 4 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1ue9 s GLY 4 CO 0.00 -1.17 0.51 -1.35 0.00 0.00 0.00 173.10 171.09 1ue9 s SER 5 N -2.58 6.45 0.04 1.64 1.04 -1.26 -5.10 113.70 113.92 1ue9 s SER 5 Ca 0.02 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 56.96 1ue9 s SER 5 Cb 0.04 -2.12 0.02 0.00 0.10 0.00 0.00 66.02 64.06 1ue9 s SER 5 CO -0.08 -0.14 0.32 -0.55 0.98 0.00 0.00 173.24 173.77 1ue9 s SER 6 N -3.05 -0.15 -0.27 7.02 0.15 -1.26 -5.17 113.70 110.97 1ue9 s SER 6 Ca 0.43 -0.13 -0.35 0.00 0.70 0.00 0.00 55.95 56.60 1ue9 s SER 6 Cb -0.11 0.36 0.16 0.00 -1.71 0.00 0.00 66.02 64.73 1ue9 s SER 6 CO 0.29 -0.60 1.33 -0.83 1.20 0.00 0.00 173.24 174.63 1ue9 s GLY 7 N -1.96 -0.13 -0.23 9.45 0.00 -1.26 -5.11 107.32 108.07 1ue9 s GLY 7 Ca -0.06 2.13 -0.29 0.00 0.00 0.00 0.00 44.72 46.50 1ue9 s GLY 7 CO -0.02 0.77 1.90 -0.54 0.00 0.00 0.00 173.10 175.21 1ue9 s GLU 8 N -1.79 3.47 0.23 2.90 2.02 -1.26 -4.79 118.70 119.48 1ue9 s GLU 8 Ca 0.10 1.80 -0.08 0.00 0.02 0.00 0.00 54.97 56.81 1ue9 s GLU 8 Cb -0.01 -4.21 -0.07 0.00 0.10 0.00 0.00 34.13 29.94 1ue9 s GLU 8 CO -0.04 -1.71 0.53 0.42 0.02 0.00 0.00 175.26 174.48 1ue9 s ILE 9 N 6.67 4.98 0.00 -1.63 -1.09 -1.26 0.10 121.20 128.97 1ue9 s ILE 9 Ca 0.85 0.35 0.03 0.00 -2.23 0.00 0.00 60.65 59.65 1ue9 s ILE 9 Cb -0.28 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1ue9 s ILE 9 CO 0.34 -0.10 -0.09 0.00 -1.23 0.00 0.00 174.94 173.86 1ue9 s ALA 10 N -1.84 0.71 -0.29 9.38 0.00 -0.44 -2.81 121.76 126.47 1ue9 s ALA 10 Ca 0.46 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 1ue9 s ALA 10 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1ue9 s ALA 10 CO 0.23 0.15 0.19 -1.14 0.00 0.00 0.00 175.76 175.19 1ue9 s GLN 11 N -0.42 3.78 0.18 0.00 0.74 0.47 -2.64 119.66 121.77 1ue9 s GLN 11 Ca 0.02 -0.43 -0.32 0.00 0.05 0.00 0.00 55.36 54.68 1ue9 s GLN 11 Cb -0.04 -3.65 -0.11 0.00 1.10 0.00 0.00 33.01 30.31 1ue9 s GLN 11 CO -0.00 -0.25 1.62 0.08 -0.55 0.00 0.00 175.29 176.19 1ue9 s VAL 12 N 1.73 2.42 -0.03 1.34 1.01 -1.20 0.13 120.40 125.80 1ue9 s VAL 12 Ca 0.07 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.42 1ue9 s VAL 12 Cb -0.16 -3.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.91 1ue9 s VAL 12 CO 0.10 0.02 0.13 0.35 0.00 0.00 0.00 175.10 175.70 1ue9 n THR 13 N 3.99 0.16 -3.86 3.92 -2.24 0.31 -3.61 114.28 112.96 1ue9 n THR 13 Ca 0.15 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 1ue9 n THR 13 Cb 0.37 -0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.25 0.17 0.43 3.42 0.01 0.29 -4.90 113.70 109.88 1ue9 s SER 14 Ca -0.03 0.01 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 1ue9 s SER 14 Cb 0.04 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.10 1ue9 s SER 14 CO 0.33 -0.08 1.33 0.00 0.41 0.00 0.00 173.24 175.23 1ue9 s ALA 15 N 0.75 3.19 0.10 1.44 0.00 -1.26 -4.63 121.76 121.35 1ue9 s ALA 15 Ca -0.07 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1ue9 s ALA 15 Cb -0.10 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1ue9 s ALA 15 CO -0.02 -0.97 -0.11 -0.47 0.00 0.00 0.00 175.76 174.20 1ue9 s TYR 16 N -1.27 1.10 -0.21 0.00 5.04 -0.20 -4.97 117.35 116.85 1ue9 s TYR 16 Ca 0.60 -0.63 -0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1ue9 s TYR 16 Cb -0.39 -0.60 0.05 0.00 0.35 0.00 0.00 41.96 41.37 1ue9 s TYR 16 CO 0.50 0.02 -0.04 0.08 -1.34 0.00 0.00 175.55 174.77 1ue9 s VAL 17 N -2.36 1.22 0.97 3.14 1.01 -1.26 -2.96 120.40 120.16 1ue9 s VAL 17 Ca 0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1ue9 s VAL 17 Cb -0.03 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1ue9 s VAL 17 CO 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 175.10 175.00 1ue9 n ALA 18 N 4.80 -3.72 0.00 5.51 0.00 -1.26 -4.96 120.51 120.88 1ue9 n ALA 18 Ca -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1ue9 n ALA 18 Cb 0.46 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ue9 n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ue9 n SER 19 N 0.51 0.04 0.00 0.00 2.88 -1.26 -5.03 113.62 110.75 1ue9 n SER 19 Ca 0.03 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ue9 n SER 19 Cb 0.55 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1ue9 n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 20 N 2.85 0.94 0.28 0.46 0.00 -1.26 -5.05 105.19 103.41 1ue9 n GLY 20 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 2.77 0.15 1.61 2.88 -1.26 -4.62 113.62 115.15 1ue9 n SER 21 Ca 0.00 -0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1ue9 n SER 21 Cb 0.00 -0.04 0.50 0.00 -0.75 0.00 0.00 64.21 63.92 1ue9 n SER 21 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1ue9 h GLU 22 N -0.02 0.00 -7.12 -1.46 4.11 -1.95 -3.45 114.58 104.69 1ue9 h GLU 22 Ca -0.05 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.86 1ue9 h GLU 22 Cb 1.07 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.43 1ue9 h GLU 22 CO -0.02 0.00 0.44 -0.65 0.07 0.00 0.00 179.01 178.86 1ue9 s GLN 23 N -3.34 2.84 -0.09 1.06 1.11 -1.26 0.16 119.66 120.14 1ue9 s GLN 23 Ca 0.05 1.74 0.04 0.00 0.01 0.00 0.00 55.36 57.19 1ue9 s GLN 23 Cb 0.09 -1.92 0.00 0.00 -1.01 0.00 0.00 33.01 30.18 1ue9 s GLN 23 CO 0.44 -1.29 -0.21 -1.17 0.01 0.00 0.00 175.29 173.07 1ue9 s LEU 24 N -4.34 1.98 0.04 2.90 2.96 0.13 -4.45 118.68 117.90 1ue9 s LEU 24 Ca 0.75 -0.50 -0.30 0.00 -0.22 0.00 0.00 54.13 53.86 1ue9 s LEU 24 Cb -0.28 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 1ue9 s LEU 24 CO 0.36 0.13 1.16 -0.94 -1.32 0.00 0.00 176.35 175.74 1ue9 s SER 25 N 0.44 7.12 0.12 3.68 1.04 -1.26 -4.54 113.70 120.30 1ue9 s SER 25 Ca -0.17 1.95 0.04 0.00 0.48 0.00 0.00 55.95 58.25 1ue9 s SER 25 Cb -0.17 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 1ue9 s SER 25 CO 0.07 -0.44 0.07 -0.76 0.98 0.00 0.00 173.24 173.16 1ue9 s LEU 26 N 1.12 3.68 0.02 2.42 1.43 -1.16 -4.97 118.68 121.22 1ue9 s LEU 26 Ca 0.57 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1ue9 s LEU 26 Cb -0.28 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 1ue9 s LEU 26 CO 0.29 0.13 -0.07 0.00 0.23 0.00 0.00 176.35 176.93 1ue9 s ALA 27 N -1.51 0.54 -0.35 4.21 0.00 -1.26 -1.03 121.76 122.36 1ue9 s ALA 27 Ca 0.29 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1ue9 s ALA 27 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1ue9 s ALA 27 CO 0.21 0.07 1.38 -1.25 0.00 0.00 0.00 175.76 176.17 1ue9 s PRO 28 N -0.73 3.74 0.00 0.00 0.04 -1.26 -2.80 135.00 133.99 1ue9 s PRO 28 Ca -0.02 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1ue9 s PRO 28 Cb -0.05 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1ue9 s PRO 28 CO 0.00 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.10 1ue9 n GLY 29 N 4.71 1.53 3.74 0.56 0.00 -1.24 -5.03 105.19 109.47 1ue9 n GLY 29 Ca 0.16 0.00 -0.30 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 -0.02 2.15 0.03 1.61 -0.21 -1.12 -5.03 119.66 117.07 1ue9 s GLN 30 Ca 0.00 -2.23 0.06 0.00 0.02 0.00 0.00 55.36 53.21 1ue9 s GLN 30 Cb 0.00 -1.67 -0.02 0.00 1.00 0.00 0.00 33.01 32.32 1ue9 s GLN 30 CO 0.00 -0.29 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.20 1ue9 s LEU 31 N -3.88 2.14 0.01 2.90 1.43 -1.26 -3.26 118.68 116.76 1ue9 s LEU 31 Ca 0.20 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1ue9 s LEU 31 Cb 0.04 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 1ue9 s LEU 31 CO 0.11 0.13 -0.04 -0.63 0.23 0.00 0.00 176.35 176.14 1ue9 s ILE 32 N -0.74 0.29 -0.34 -0.59 1.01 -1.08 0.19 121.20 119.94 1ue9 s ILE 32 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1ue9 s ILE 32 Cb -0.08 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1ue9 s ILE 32 CO 0.01 -0.12 0.22 -0.22 0.00 0.00 0.00 174.94 174.83 1ue9 s LEU 33 N -0.63 4.48 0.06 2.97 0.20 0.22 -1.33 118.68 124.65 1ue9 s LEU 33 Ca -0.04 -0.52 -0.31 0.00 0.69 0.00 0.00 54.13 53.95 1ue9 s LEU 33 Cb -0.05 -2.10 -0.07 0.00 -0.43 0.00 0.00 46.19 43.54 1ue9 s LEU 33 CO -0.00 -0.25 1.55 -0.63 -0.29 0.00 0.00 176.35 176.73 1ue9 s ILE 34 N 1.68 3.24 -0.07 6.68 -1.09 0.29 -0.02 121.20 131.92 1ue9 s ILE 34 Ca 0.05 0.71 0.02 0.00 -2.23 0.00 0.00 60.65 59.20 1ue9 s ILE 34 Cb -0.18 -3.45 -0.06 0.00 -1.58 0.00 0.00 42.46 37.19 1ue9 s ILE 34 CO 0.09 0.00 -0.03 0.18 -1.23 0.00 0.00 174.94 173.96 1ue9 n LEU 35 N 5.33 1.77 -3.80 2.97 4.77 0.83 -4.07 117.00 124.80 1ue9 n LEU 35 Ca 0.15 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1ue9 n LEU 35 Cb 0.41 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1ue9 n LEU 35 CO 0.61 0.43 -0.07 -0.75 -1.33 0.00 0.00 177.39 176.28 1ue9 s LYS 36 N -2.14 0.50 -0.08 3.23 2.20 0.30 -4.97 119.74 118.78 1ue9 s LYS 36 Ca -0.07 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1ue9 s LYS 36 Cb 0.02 0.22 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1ue9 s LYS 36 CO 0.19 -0.12 -0.13 0.15 -0.36 0.00 0.00 175.35 175.08 1ue9 s LYS 37 N -0.89 1.87 0.66 4.03 1.02 -1.26 0.19 119.74 125.35 1ue9 s LYS 37 Ca -0.10 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.39 1ue9 s LYS 37 Cb -0.05 -1.55 0.05 0.00 -0.52 0.00 0.00 37.83 35.76 1ue9 s LYS 37 CO 0.02 0.01 0.94 1.21 -0.92 0.00 0.00 175.35 176.61 1ue9 s ASN 38 N 0.74 4.94 -0.06 2.83 3.84 0.26 -4.98 114.94 122.50 1ue9 s ASN 38 Ca -0.13 0.30 0.15 0.00 0.21 0.00 0.00 52.86 53.38 1ue9 s ASN 38 Cb -0.16 -1.01 0.53 0.00 -0.55 0.00 0.00 41.25 40.06 1ue9 s ASN 38 CO 0.03 -1.47 1.42 1.07 -2.79 0.00 0.00 177.10 175.36 1ue9 n THR 39 N -2.74 1.22 -0.04 -5.21 5.66 -1.26 -3.95 114.28 107.96 1ue9 n THR 39 Ca 0.08 -0.85 -0.04 0.00 -3.05 0.00 0.00 64.05 60.19 1ue9 n THR 39 Cb 0.60 0.11 -0.05 0.00 -1.55 0.00 0.00 70.33 69.45 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 0.88 3.37 0.00 1.09 2.88 -1.26 -5.02 113.62 115.56 1ue9 n SER 40 Ca 0.19 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1ue9 n SER 40 Cb 0.64 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 2.83 0.99 3.70 0.46 0.00 -1.25 -5.06 105.19 106.85 1ue9 n GLY 41 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 2.99 -0.04 1.61 0.52 -1.26 -1.75 118.94 121.02 1ue9 s TRP 42 Ca 0.00 0.83 0.05 0.00 0.02 0.00 0.00 56.10 56.99 1ue9 s TRP 42 Cb 0.00 -3.70 -0.03 0.00 -1.15 0.00 0.00 33.47 28.59 1ue9 s TRP 42 CO 0.00 -2.57 -0.16 -1.58 0.02 0.00 0.00 176.95 172.66 1ue9 s TRP 43 N 1.81 2.63 -0.50 -1.98 0.52 0.49 -0.58 118.94 121.33 1ue9 s TRP 43 Ca 0.65 -0.21 -0.08 0.00 0.02 0.00 0.00 56.10 56.49 1ue9 s TRP 43 Cb -0.35 -1.60 0.13 0.00 -1.15 0.00 0.00 33.47 30.50 1ue9 s TRP 43 CO 0.29 0.16 0.36 -1.14 0.02 0.00 0.00 176.95 176.64 1ue9 s GLN 44 N -0.76 2.48 0.01 4.98 0.74 0.50 -0.69 119.66 126.91 1ue9 s GLN 44 Ca 0.11 -1.92 0.00 0.00 0.05 0.00 0.00 55.36 53.61 1ue9 s GLN 44 Cb -0.10 -3.88 -0.00 0.00 1.10 0.00 0.00 33.01 30.13 1ue9 s GLN 44 CO 0.01 -1.18 0.00 0.41 -0.55 0.00 0.00 175.29 173.98 1ue9 n GLY 45 N 4.62 4.10 3.13 2.59 0.00 -1.14 0.11 105.19 118.60 1ue9 n GLY 45 Ca -0.04 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.03 1.83 -0.25 1.61 2.12 0.97 -2.92 118.70 120.03 1ue9 s GLU 46 Ca 0.00 -0.61 -0.28 0.00 0.36 0.00 0.00 54.97 54.44 1ue9 s GLU 46 Cb 0.00 -1.57 -0.03 0.00 0.26 0.00 0.00 34.13 32.78 1ue9 s GLU 46 CO 0.00 0.23 1.95 -1.17 -0.54 0.00 0.00 175.26 175.74 1ue9 s LEU 47 N 0.08 3.57 -0.34 2.70 0.20 0.86 0.73 118.68 126.47 1ue9 s LEU 47 Ca -0.05 1.64 0.00 0.00 0.69 0.00 0.00 54.13 56.41 1ue9 s LEU 47 Cb -0.12 -3.52 0.31 0.00 -0.43 0.00 0.00 46.19 42.43 1ue9 s LEU 47 CO 0.02 -1.72 1.84 0.00 -0.29 0.00 0.00 176.35 176.20 1ue9 n GLN 48 N 8.43 1.89 -4.57 1.98 1.13 0.49 -4.48 117.38 122.26 1ue9 n GLN 48 Ca 0.25 -1.87 -0.22 0.00 -1.94 0.00 0.00 57.00 53.22 1ue9 n GLN 48 Cb 0.46 -1.73 -0.14 0.00 0.11 0.00 0.00 30.24 28.93 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 -2.13 1.30 0.62 -1.58 0.00 -1.21 -4.55 121.76 114.21 1ue9 s ALA 49 Ca 0.36 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1ue9 s ALA 49 Cb 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1ue9 s ALA 49 CO 0.02 0.29 0.00 0.54 0.00 0.00 0.00 175.76 176.61 1ue9 n ARG 50 N 2.30 -3.87 -3.94 0.00 5.12 -1.26 -4.90 116.66 110.11 1ue9 n ARG 50 Ca -0.16 3.07 -0.30 0.00 -1.93 0.00 0.00 57.85 58.53 1ue9 n ARG 50 Cb 0.55 -4.05 -0.16 0.00 -1.16 0.00 0.00 32.46 27.63 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ue9 s GLY 51 N -6.29 1.26 0.00 -0.13 0.00 -1.26 -4.82 107.32 96.09 1ue9 s GLY 51 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1ue9 s GLY 51 CO 0.00 0.90 0.00 1.17 0.00 0.00 0.00 173.10 175.17 1ue9 n LYS 52 N 4.69 0.00 -3.66 2.90 4.81 -1.26 -5.11 118.16 120.53 1ue9 n LYS 52 Ca -0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.11 1ue9 n LYS 52 Cb 0.45 0.00 -0.18 0.00 0.02 0.00 0.00 35.03 35.32 1ue9 n LYS 52 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ue9 s LYS 53 N -1.88 -0.06 -0.87 1.64 2.20 -1.26 -5.07 119.74 114.44 1ue9 s LYS 53 Ca 0.00 0.33 -0.25 0.00 -0.36 0.00 0.00 55.97 55.69 1ue9 s LYS 53 Cb 0.00 -0.67 -0.10 0.00 -1.51 0.00 0.00 37.83 35.55 1ue9 s LYS 53 CO 0.00 -0.37 2.17 1.03 -0.36 0.00 0.00 175.35 177.82 1ue9 s ARG 54 N 2.17 2.05 0.05 4.03 1.81 -1.26 -4.89 118.95 122.91 1ue9 s ARG 54 Ca 0.05 0.03 -0.30 0.00 -1.72 0.00 0.00 55.73 53.79 1ue9 s ARG 54 Cb -0.13 -4.94 -0.08 0.00 -0.45 0.00 0.00 34.95 29.36 1ue9 s ARG 54 CO -0.04 -3.99 1.69 -0.65 -0.68 0.00 0.00 175.30 171.64 1ue9 s GLN 55 N 7.92 4.19 -0.12 3.54 1.11 -1.26 -4.91 119.66 130.13 1ue9 s GLN 55 Ca 0.81 2.34 -0.05 0.00 0.01 0.00 0.00 55.36 58.47 1ue9 s GLN 55 Cb -0.09 -3.72 0.05 0.00 -1.01 0.00 0.00 33.01 28.24 1ue9 s GLN 55 CO 0.04 -0.78 0.26 0.21 0.01 0.00 0.00 175.29 175.03 1ue9 s LYS 56 N 3.06 0.20 -0.00 2.91 2.36 -1.26 -0.10 119.74 126.90 1ue9 s LYS 56 Ca 0.75 0.60 -0.01 0.00 -2.55 0.00 0.00 55.97 54.77 1ue9 s LYS 56 Cb -0.39 -0.09 0.00 0.00 -1.05 0.00 0.00 37.83 36.30 1ue9 s LYS 56 CO 0.33 -0.20 0.05 0.41 1.55 0.00 0.00 175.35 177.49 1ue9 n GLY 57 N 4.53 0.61 3.85 5.54 0.00 -1.15 -4.81 105.19 113.77 1ue9 n GLY 57 Ca -0.20 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.00 3.49 0.12 1.61 0.52 0.43 -2.87 118.94 119.23 1ue9 s TRP 58 Ca 0.01 0.38 -0.18 0.00 0.02 0.00 0.00 56.10 56.33 1ue9 s TRP 58 Cb -0.00 -1.85 0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1ue9 s TRP 58 CO -0.00 0.65 0.45 -0.59 0.02 0.00 0.00 176.95 177.48 1ue9 s PHE 59 N -1.15 -0.30 0.08 -1.98 -0.12 0.13 0.17 117.98 114.82 1ue9 s PHE 59 Ca 0.21 0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.84 1ue9 s PHE 59 Cb -0.12 0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.53 1ue9 s PHE 59 CO 0.11 -0.71 1.16 -1.25 -0.05 0.00 0.00 175.22 174.47 1ue9 s PRO 60 N -3.55 4.48 0.42 1.99 0.04 -1.26 0.19 135.00 137.30 1ue9 s PRO 60 Ca 0.01 1.72 0.29 0.00 0.04 0.00 0.00 61.00 63.06 1ue9 s PRO 60 Cb 0.01 -3.34 1.12 0.00 0.04 0.00 0.00 34.50 32.32 1ue9 s PRO 60 CO -0.10 -0.17 1.85 0.00 0.04 0.00 0.00 177.00 178.61 1ue9 h ALA 61 N 6.45 1.00 0.00 8.56 0.00 -1.67 -2.24 119.26 131.36 1ue9 h ALA 61 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 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 0.79 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.47 1ue9 n SER 62 N -2.73 0.11 0.03 0.00 7.64 -1.26 -0.95 113.62 116.46 1ue9 n SER 62 Ca 0.02 0.53 0.11 0.00 1.01 0.00 0.00 58.87 60.54 1ue9 n SER 62 Cb 0.30 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.62 0.36 -4.66 1.43 -0.00 -0.84 -4.79 115.22 105.10 1ue9 n HIS 63 Ca 0.02 0.11 -0.30 0.00 -0.00 0.00 0.00 57.72 57.55 1ue9 n HIS 63 Cb 0.14 -0.60 -0.09 0.00 -0.00 0.00 0.00 29.99 29.44 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 -3.36 1.23 -0.03 1.59 -7.23 -0.12 0.11 120.40 112.59 1ue9 s VAL 64 Ca -0.02 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1ue9 s VAL 64 Cb 0.13 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1ue9 s VAL 64 CO 0.84 0.00 0.02 -1.59 -0.31 0.00 0.00 175.10 174.07 1ue9 s LYS 65 N -3.81 0.09 0.28 4.82 -2.85 0.12 -4.76 119.74 113.63 1ue9 s LYS 65 Ca 0.18 0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 55.03 1ue9 s LYS 65 Cb 0.04 -0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 35.32 1ue9 s LYS 65 CO 0.09 -0.19 1.52 -0.51 0.10 0.00 0.00 175.35 176.37 1ue9 s LEU 66 N 1.24 4.36 -0.06 2.77 1.43 -1.26 -0.40 118.68 126.76 1ue9 s LEU 66 Ca -0.07 2.85 0.08 0.00 -1.03 0.00 0.00 54.13 55.96 1ue9 s LEU 66 Cb -0.13 -3.63 0.35 0.00 0.03 0.00 0.00 46.19 42.81 1ue9 s LEU 66 CO -0.03 -0.82 1.16 0.18 0.23 0.00 0.00 176.35 177.07 1ue9 n LEU 67 N 2.06 2.61 0.00 1.79 4.77 -1.12 -4.88 117.00 122.23 1ue9 n LEU 67 Ca 0.07 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1ue9 n LEU 67 Cb 0.39 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1ue9 n LEU 67 CO 0.62 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1ue9 n GLY 68 N 0.63 0.81 3.69 -0.72 0.00 -1.26 -4.46 105.19 103.89 1ue9 n GLY 68 Ca 0.12 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 4.37 0.13 1.61 0.04 -1.26 -4.85 135.00 135.04 1ue9 s PRO 69 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ue9 s PRO 69 Cb 0.00 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1ue9 s PRO 69 CO 0.00 -0.40 0.00 0.45 0.04 0.00 0.00 177.00 177.09 1ue9 n SER 70 N 4.92 0.22 0.08 6.66 2.88 -1.26 -4.88 113.62 122.23 1ue9 n SER 70 Ca 0.10 0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.73 1ue9 n SER 70 Cb 0.46 0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 63.91 1ue9 n SER 70 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ue9 h SER 71 N 0.00 -0.12 -3.54 -3.46 0.02 -1.96 -3.49 113.55 101.00 1ue9 h SER 71 Ca 0.00 -0.10 0.35 0.00 -0.84 0.00 0.00 61.79 61.20 1ue9 h SER 71 Cb 0.16 0.03 -0.19 0.00 0.14 0.00 0.00 62.40 62.54 1ue9 h SER 71 CO 0.00 0.02 -1.27 -0.62 -1.14 0.00 0.00 176.83 173.82 1ue9 n GLU 72 N -5.10 -3.34 -0.06 3.45 -0.58 -1.26 -4.91 120.64 108.85 1ue9 n GLU 72 Ca -0.08 2.73 -0.09 0.00 -0.42 0.00 0.00 57.16 59.30 1ue9 n GLU 72 Cb 0.13 -3.91 -0.05 0.00 -0.57 0.00 0.00 31.44 27.04 1ue9 n GLU 72 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ue9 n ARG 73 N -4.37 0.27 -2.78 3.49 5.12 -1.26 -5.10 116.66 112.03 1ue9 n ARG 73 Ca -0.09 0.07 -0.03 0.00 -1.93 0.00 0.00 57.85 55.87 1ue9 n ARG 73 Cb 0.69 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.80 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ue9 n ALA 74 N -2.98 -2.82 -2.72 7.54 0.00 -1.26 -4.98 120.51 113.29 1ue9 n ALA 74 Ca -0.20 1.46 -0.35 0.00 0.00 0.00 0.00 53.44 54.35 1ue9 n ALA 74 Cb 0.70 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.02 1ue9 n ALA 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ue9 s SER 75 N -0.57 5.27 0.00 0.00 0.01 -1.26 -4.93 113.70 112.22 1ue9 s SER 75 Ca -0.17 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1ue9 s SER 75 Cb 0.01 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.68 1ue9 s SER 75 CO 0.53 0.35 0.00 0.61 0.41 0.00 0.00 173.24 175.13 1ue9 n GLY 76 N 2.36 -2.02 3.55 3.44 0.00 -1.26 -5.03 105.19 106.22 1ue9 n GLY 76 Ca -0.18 0.60 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 1ue9 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ue9 n PRO 77 N -1.28 2.42 -1.78 1.61 -0.04 -1.26 -4.95 135.00 129.73 1ue9 n PRO 77 Ca 0.00 -2.86 -0.41 0.00 -0.04 0.00 0.00 63.50 60.19 1ue9 n PRO 77 Cb 0.00 -3.59 -0.00 0.00 -0.04 0.00 0.00 33.50 29.87 1ue9 n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ue9 s SER 78 N 5.24 6.32 0.48 3.54 1.04 -1.26 -4.99 113.70 124.07 1ue9 s SER 78 Ca 0.60 3.06 -0.03 0.00 0.48 0.00 0.00 55.95 60.06 1ue9 s SER 78 Cb 0.02 -2.67 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 1ue9 s SER 78 CO 0.10 -0.90 0.75 -0.44 0.98 0.00 0.00 173.24 173.73 1ue9 s SER 79 N -0.05 6.02 0.00 7.02 0.01 -1.26 -5.30 113.70 120.15 1ue9 s SER 79 Ca 0.54 0.66 0.05 0.00 1.31 0.00 0.00 55.95 58.52 1ue9 s SER 79 Cb -0.47 -1.94 0.32 0.00 0.21 0.00 0.00 66.02 64.15 1ue9 s SER 79 CO 0.62 -0.67 0.79 0.61 0.41 0.00 0.00 173.24 175.00