#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r79 s SER 2 N 0.00 -0.11 -0.04 1.61 0.15 -1.26 -5.19 113.70 108.87 1r79 s SER 2 Ca 0.00 -0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.28 1r79 s SER 2 Cb 0.00 0.17 0.08 0.00 -1.71 0.00 0.00 66.02 64.56 1r79 s SER 2 CO 0.00 -0.29 0.72 -0.94 1.20 0.00 0.00 173.24 173.93 1r79 s SER 3 N -2.55 -0.60 -0.27 5.45 1.04 -1.26 -5.18 113.70 110.34 1r79 s SER 3 Ca 0.11 0.57 -0.28 0.00 0.48 0.00 0.00 55.95 56.83 1r79 s SER 3 Cb 0.01 0.51 0.18 0.00 0.10 0.00 0.00 66.02 66.82 1r79 s SER 3 CO -0.04 -0.61 1.30 -0.83 0.98 0.00 0.00 173.24 174.04 1r79 s GLY 4 N -1.40 0.08 -0.24 7.32 0.00 -1.26 -5.18 107.32 106.64 1r79 s GLY 4 Ca -0.08 2.86 -0.27 0.00 0.00 0.00 0.00 44.72 47.23 1r79 s GLY 4 CO 0.05 1.33 1.12 -0.45 0.00 0.00 0.00 173.10 175.15 1r79 s SER 5 N -0.72 -0.31 0.21 1.64 0.15 -1.26 -5.19 113.70 108.22 1r79 s SER 5 Ca 0.06 0.49 -0.07 0.00 0.70 0.00 0.00 55.95 57.13 1r79 s SER 5 Cb -0.02 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1r79 s SER 5 CO -0.08 -0.19 0.29 -0.55 1.20 0.00 0.00 173.24 173.91 1r79 s SER 6 N -0.45 0.04 0.00 5.45 0.15 -1.26 -5.15 113.70 112.48 1r79 s SER 6 Ca 0.03 -1.12 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1r79 s SER 6 Cb -0.03 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1r79 s SER 6 CO -0.05 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.04 1r79 n GLY 7 N -0.30 3.58 2.98 9.45 0.00 -1.26 -5.12 105.19 114.52 1r79 n GLY 7 Ca -0.01 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1r79 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r79 s THR 8 N 0.00 1.79 -0.07 2.61 -4.23 -1.26 -5.10 115.64 109.38 1r79 s THR 8 Ca 0.00 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 58.85 1r79 s THR 8 Cb 0.00 -2.06 0.03 0.00 1.34 0.00 0.00 72.50 71.81 1r79 s THR 8 CO 0.00 -0.19 0.33 -0.89 -0.54 0.00 0.00 174.62 173.33 1r79 s THR 9 N 1.25 0.03 -0.07 3.99 2.01 -1.26 -5.16 115.64 116.42 1r79 s THR 9 Ca -0.03 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 1r79 s THR 9 Cb -0.19 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 71.80 1r79 s THR 9 CO -0.07 -0.12 0.18 -1.48 -0.69 0.00 0.00 174.62 172.43 1r79 s LEU 10 N -0.54 0.90 -0.44 4.42 2.34 -1.26 -5.11 118.68 119.00 1r79 s LEU 10 Ca -0.06 0.37 0.02 0.00 0.06 0.00 0.00 54.13 54.52 1r79 s LEU 10 Cb -0.04 0.55 0.15 0.00 -0.56 0.00 0.00 46.19 46.29 1r79 s LEU 10 CO 0.02 -0.12 0.29 0.00 -1.06 0.00 0.00 176.35 175.49 1r79 s ALA 11 N 0.75 1.79 -0.22 1.48 0.00 -1.26 -5.07 121.76 119.22 1r79 s ALA 11 Ca -0.05 -2.51 -0.01 0.00 0.00 0.00 0.00 51.96 49.39 1r79 s ALA 11 Cb -0.07 -1.75 0.06 0.00 0.00 0.00 0.00 23.12 21.36 1r79 s ALA 11 CO -0.04 -2.05 0.01 0.45 0.00 0.00 0.00 175.76 174.13 1r79 s SER 12 N 0.23 3.40 0.45 0.00 0.15 -1.26 -5.13 113.70 111.55 1r79 s SER 12 Ca 0.23 -1.06 0.05 0.00 0.70 0.00 0.00 55.95 55.88 1r79 s SER 12 Cb -0.13 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1r79 s SER 12 CO -0.08 -0.29 0.10 0.27 1.20 0.00 0.00 173.24 174.44 1r79 s ILE 13 N 1.65 1.83 0.00 6.45 -5.25 -1.26 -5.14 121.20 119.48 1r79 s ILE 13 Ca -0.02 -1.85 0.00 0.00 -0.99 0.00 0.00 60.65 57.79 1r79 s ILE 13 Cb -0.18 -2.68 0.00 0.00 2.95 0.00 0.00 42.46 42.55 1r79 s ILE 13 CO -0.09 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.67 1r79 n GLY 14 N -1.22 0.79 2.91 6.27 0.00 -1.26 -5.15 105.19 107.53 1r79 n GLY 14 Ca -0.07 0.60 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 1r79 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r79 s LYS 15 N 0.00 1.54 -0.48 1.61 0.00 -1.26 -5.10 119.74 116.05 1r79 s LYS 15 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 55.97 55.34 1r79 s LYS 15 Cb 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 37.83 36.13 1r79 s LYS 15 CO 0.00 -0.31 1.15 0.34 0.00 0.00 0.00 175.35 176.53 1r79 s ASP 16 N 1.68 6.62 -0.54 0.03 2.15 -1.26 -4.99 116.67 120.37 1r79 s ASP 16 Ca 0.04 0.46 -0.21 0.00 0.43 0.00 0.00 52.55 53.27 1r79 s ASP 16 Cb -0.13 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1r79 s ASP 16 CO -0.08 -1.27 0.77 -0.63 -0.17 0.00 0.00 175.17 173.79 1r79 s ILE 17 N 4.49 4.65 -0.06 4.11 1.01 -1.26 -5.01 121.20 129.13 1r79 s ILE 17 Ca 0.48 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 1r79 s ILE 17 Cb -0.07 -4.42 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 1r79 s ILE 17 CO 0.32 -0.98 1.80 0.27 0.00 0.00 0.00 174.94 176.35 1r79 s ILE 18 N 3.22 3.37 -0.18 2.92 -4.36 -1.26 -4.97 121.20 119.95 1r79 s ILE 18 Ca 0.21 0.44 -0.17 0.00 -0.26 0.00 0.00 60.65 60.87 1r79 s ILE 18 Cb -0.17 -3.32 -0.04 0.00 1.25 0.00 0.00 42.46 40.19 1r79 s ILE 18 CO 0.14 -0.07 0.45 -0.70 0.24 0.00 0.00 174.94 175.00 1r79 s GLU 19 N 4.46 4.22 -0.23 0.37 -6.30 -1.26 -4.91 118.70 115.05 1r79 s GLU 19 Ca 0.80 0.32 -0.13 0.00 -2.50 0.00 0.00 54.97 53.46 1r79 s GLU 19 Cb -0.35 -3.52 0.07 0.00 0.00 0.00 0.00 34.13 30.33 1r79 s GLU 19 CO 0.34 -0.02 0.57 -0.51 0.02 0.00 0.00 175.26 175.66 1r79 s ASP 20 N 0.95 -0.77 0.15 -1.70 1.01 -1.26 -5.05 116.67 110.00 1r79 s ASP 20 Ca 0.22 1.25 -0.18 0.00 0.71 0.00 0.00 52.55 54.55 1r79 s ASP 20 Cb -0.15 1.13 0.04 0.00 1.01 0.00 0.00 42.92 44.95 1r79 s ASP 20 CO 0.09 -0.22 1.69 0.00 0.21 0.00 0.00 175.17 176.93 1r79 h ALA 21 N 7.05 0.22 -0.93 5.23 0.00 -1.97 -3.12 119.26 125.74 1r79 h ALA 21 Ca -0.33 0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.39 1r79 h ALA 21 Cb 1.21 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1r79 h ALA 21 CO 0.22 -0.45 0.85 -0.51 0.00 0.00 0.00 179.25 179.35 1r79 s ASP 22 N -5.22 4.89 0.00 0.00 1.01 -1.26 -4.34 116.67 111.75 1r79 s ASP 22 Ca -0.14 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 52.99 1r79 s ASP 22 Cb 0.13 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1r79 s ASP 22 CO 0.70 -2.87 0.00 0.61 0.21 0.00 0.00 175.17 173.82 1r79 n GLY 23 N 6.48 1.06 2.29 0.21 0.00 -1.26 -5.04 105.19 108.92 1r79 n GLY 23 Ca 0.36 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1r79 n GLY 23 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r79 n ILE 24 N 0.00 0.44 -3.54 -0.61 -0.00 -1.18 -4.98 119.36 109.50 1r79 n ILE 24 Ca 0.00 -0.35 -0.16 0.00 -0.00 0.00 0.00 62.75 62.25 1r79 n ILE 24 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 1r79 n ILE 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1r79 s ALA 25 N -1.17 -1.55 -0.63 -1.39 0.00 -1.26 -4.58 121.76 111.18 1r79 s ALA 25 Ca 0.41 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 1r79 s ALA 25 Cb -0.44 0.22 0.16 0.00 0.00 0.00 0.00 23.12 23.06 1r79 s ALA 25 CO 0.44 -0.45 0.47 -1.64 0.00 0.00 0.00 175.76 174.58 1r79 s MET 26 N -1.85 2.70 1.14 0.00 -1.94 -1.26 -5.08 119.30 113.01 1r79 s MET 26 Ca -0.08 -2.40 -0.17 0.00 -1.71 0.00 0.00 55.69 51.32 1r79 s MET 26 Cb -0.01 -3.86 0.26 0.00 2.01 0.00 0.00 34.83 33.23 1r79 s MET 26 CO 0.04 -1.19 1.10 -1.25 -0.01 0.00 0.00 175.02 173.71 1r79 s PRO 27 N 0.18 -0.71 -0.10 2.03 0.04 -1.26 -4.17 135.00 131.02 1r79 s PRO 27 Ca 0.15 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 1r79 s PRO 27 Cb -0.19 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1r79 s PRO 27 CO -0.04 -3.41 1.34 -1.01 0.04 0.00 0.00 177.00 173.92 1r79 s HIS 28 N -2.99 2.76 -0.96 0.56 3.76 -1.26 -4.85 115.29 112.30 1r79 s HIS 28 Ca 0.69 0.87 -0.22 0.00 -0.15 0.00 0.00 55.06 56.25 1r79 s HIS 28 Cb -0.13 -3.59 0.07 0.00 1.11 0.00 0.00 32.58 30.04 1r79 s HIS 28 CO 0.57 -2.14 1.34 -1.14 -0.85 0.00 0.00 174.74 172.51 1r79 s GLN 29 N 3.17 3.55 0.20 1.40 2.00 -1.26 -4.99 119.66 123.72 1r79 s GLN 29 Ca 0.60 -1.21 -0.30 0.00 -2.00 0.00 0.00 55.36 52.45 1r79 s GLN 29 Cb -0.26 -5.12 -0.08 0.00 0.80 0.00 0.00 33.01 28.35 1r79 s GLN 29 CO 0.21 -2.08 1.03 -1.58 -0.50 0.00 0.00 175.29 172.37 1r79 s TRP 30 N 4.41 3.74 -0.27 1.67 0.23 -1.26 -2.39 118.94 125.06 1r79 s TRP 30 Ca 0.41 1.74 0.02 0.00 -2.03 0.00 0.00 56.10 56.24 1r79 s TRP 30 Cb -0.02 -3.16 0.07 0.00 0.03 0.00 0.00 33.47 30.39 1r79 s TRP 30 CO -0.07 -0.16 -0.03 -1.17 0.96 0.00 0.00 176.95 176.48 1r79 s LEU 31 N -0.74 3.18 -0.03 2.99 0.20 -0.97 -4.94 118.68 118.38 1r79 s LEU 31 Ca 0.46 -1.48 -0.40 0.00 0.69 0.00 0.00 54.13 53.40 1r79 s LEU 31 Cb -0.28 -1.32 -0.19 0.00 -0.43 0.00 0.00 46.19 43.97 1r79 s LEU 31 CO 0.34 -0.28 1.16 1.21 -0.29 0.00 0.00 176.35 178.50 1r79 n GLU 32 N 4.55 0.19 0.00 1.98 2.13 -1.26 -3.64 120.64 124.59 1r79 n GLU 32 Ca -0.08 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1r79 n GLU 32 Cb 0.43 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1r79 n GLU 32 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r79 n GLY 33 N 1.89 2.46 3.21 8.31 0.00 0.10 -4.91 105.19 116.24 1r79 n GLY 33 Ca 0.21 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1r79 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r79 n ASN 34 N -0.12 -4.11 -4.48 1.61 4.13 -1.26 -4.40 115.26 106.63 1r79 n ASN 34 Ca 0.00 -0.50 -0.33 0.00 1.68 0.00 0.00 54.58 55.43 1r79 n ASN 34 Cb 0.00 -4.45 -0.13 0.00 -1.54 0.00 0.00 39.78 33.67 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1r79 s LEU 35 N -6.14 3.00 0.81 3.41 2.01 -1.26 -4.91 118.68 115.60 1r79 s LEU 35 Ca 0.28 -0.17 -0.11 0.00 0.01 0.00 0.00 54.13 54.14 1r79 s LEU 35 Cb -0.12 -1.67 0.08 0.00 0.01 0.00 0.00 46.19 44.48 1r79 s LEU 35 CO 0.63 0.24 1.09 -2.16 1.01 0.00 0.00 176.35 177.16 1r79 s PRO 36 N -0.09 1.97 0.23 1.29 0.04 -1.26 -4.87 135.00 132.31 1r79 s PRO 36 Ca -0.00 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.04 1r79 s PRO 36 Cb -0.13 -1.87 0.28 0.00 0.04 0.00 0.00 34.50 32.81 1r79 s PRO 36 CO 0.03 -1.82 1.85 -0.24 0.04 0.00 0.00 177.00 176.86 1r79 h VAL 37 N -1.25 1.06 -1.00 -0.36 3.04 -1.98 -2.08 116.25 113.68 1r79 h VAL 37 Ca -0.45 -0.32 -0.63 0.00 -1.01 0.00 0.00 66.70 64.28 1r79 h VAL 37 Cb 1.25 0.05 -0.27 0.00 -2.01 0.00 0.00 31.29 30.31 1r79 h VAL 37 CO 0.52 0.17 0.82 -1.20 -1.01 0.00 0.00 177.57 176.87 1r79 n SER 38 N -4.64 7.52 -4.80 3.17 7.64 -1.26 -4.88 113.62 116.37 1r79 n SER 38 Ca 0.10 -3.68 -0.33 0.00 1.01 0.00 0.00 58.87 55.97 1r79 n SER 38 Cb 0.14 -1.00 0.01 0.00 -1.01 0.00 0.00 64.21 62.35 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r79 s ALA 39 N -3.54 2.73 0.02 -0.43 0.00 -0.78 -4.97 121.76 114.80 1r79 s ALA 39 Ca 0.59 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 1r79 s ALA 39 Cb 0.47 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 1r79 s ALA 39 CO -0.04 -0.84 0.13 0.21 0.00 0.00 0.00 175.76 175.21 1r79 s LYS 40 N -4.14 0.56 0.42 0.00 2.47 -1.26 -1.31 119.74 116.48 1r79 s LYS 40 Ca 0.63 -0.60 -0.16 0.00 -1.56 0.00 0.00 55.97 54.28 1r79 s LYS 40 Cb -0.16 0.23 -0.09 0.00 -1.46 0.00 0.00 37.83 36.35 1r79 s LYS 40 CO 0.38 -0.14 0.87 0.00 0.16 0.00 0.00 175.35 176.62 1r79 n THR 42 N -0.95 0.00 0.10 0.00 5.66 0.18 -2.75 114.28 116.52 1r79 n THR 42 Ca 0.05 -0.34 -0.24 0.00 -3.05 0.00 0.00 64.05 60.47 1r79 n THR 42 Cb 0.54 0.22 -0.15 0.00 -1.55 0.00 0.00 70.33 69.38 1r79 n THR 42 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1r79 h VAL 43 N 0.00 1.16 0.00 1.08 2.07 -1.91 -3.41 116.25 115.23 1r79 h VAL 43 Ca 0.00 -2.59 -0.14 0.00 0.82 0.00 0.00 66.70 64.79 1r79 h VAL 43 Cb 0.69 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 1r79 h VAL 43 CO 0.00 0.81 -1.51 0.00 0.02 0.00 0.00 177.57 176.89 1r79 n ASP 45 N -2.71 -2.58 0.00 0.00 8.00 -1.11 -5.03 116.55 113.12 1r79 n ASP 45 Ca -0.16 -0.17 -0.00 0.00 0.71 0.00 0.00 54.79 55.17 1r79 n ASP 45 Cb 0.68 -1.66 -0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1r79 n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r79 n LYS 46 N -1.85 0.02 -3.64 -1.24 4.76 -1.26 -4.90 118.16 110.05 1r79 n LYS 46 Ca -0.04 0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.32 1r79 n LYS 46 Cb 0.54 -0.24 -0.07 0.00 -1.84 0.00 0.00 35.03 33.42 1r79 n LYS 46 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1r79 s THR 47 N -1.21 0.00 0.16 -0.18 2.01 -1.26 -4.84 115.64 110.33 1r79 s THR 47 Ca -0.01 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1r79 s THR 47 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1r79 s THR 47 CO 0.02 0.00 -0.13 0.00 -0.69 0.00 0.00 174.62 173.82 1r79 n GLY 49 N -0.10 1.96 3.28 0.00 0.00 -1.26 -3.73 105.19 105.35 1r79 n GLY 49 Ca -0.11 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1r79 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r79 s SER 50 N 0.00 -1.28 -0.08 1.61 1.04 -1.26 -5.03 113.70 108.70 1r79 s SER 50 Ca 0.00 0.80 -0.10 0.00 0.48 0.00 0.00 55.95 57.13 1r79 s SER 50 Cb 0.00 -1.11 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 1r79 s SER 50 CO 0.00 -5.49 -0.20 0.52 0.98 0.00 0.00 173.24 169.05 1r79 n VAL 51 N -5.71 1.26 -0.05 5.02 0.31 -1.26 -4.92 118.33 112.97 1r79 n VAL 51 Ca 0.14 0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 64.57 1r79 n VAL 51 Cb 0.61 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.58 1r79 n VAL 51 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1r79 n LEU 52 N -3.95 1.23 -4.29 7.52 4.77 -1.26 -4.97 117.00 116.05 1r79 n LEU 52 Ca -0.13 0.46 -0.31 0.00 -0.03 0.00 0.00 56.01 56.00 1r79 n LEU 52 Cb 0.39 -0.74 -0.16 0.00 -2.33 0.00 0.00 43.42 40.59 1r79 n LEU 52 CO 0.09 -0.46 -0.56 0.00 -1.33 0.00 0.00 177.39 175.13 1r79 s ARG 53 N -1.91 2.41 0.15 3.23 1.70 -1.26 -5.10 118.95 118.18 1r79 s ARG 53 Ca -0.11 -0.91 -0.31 0.00 -0.47 0.00 0.00 55.73 53.92 1r79 s ARG 53 Cb 0.02 -2.13 -0.10 0.00 -0.57 0.00 0.00 34.95 32.16 1r79 s ARG 53 CO 0.17 0.45 1.70 -0.51 -1.08 0.00 0.00 175.30 176.02 1r79 s LEU 54 N -0.32 4.38 0.00 -1.89 2.01 -1.26 -4.72 118.68 116.88 1r79 s LEU 54 Ca 0.01 2.72 0.00 0.00 0.01 0.00 0.00 54.13 56.87 1r79 s LEU 54 Cb -0.12 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.49 1r79 s LEU 54 CO 0.02 -0.93 0.00 0.00 1.01 0.00 0.00 176.35 176.45 1r79 n GLN 55 N 4.66 0.00 -1.07 1.70 10.64 -1.26 -4.17 117.38 127.88 1r79 n GLN 55 Ca 0.16 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.99 1r79 n GLN 55 Cb 0.38 -0.48 0.01 0.00 -0.86 0.00 0.00 30.24 29.29 1r79 n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1r79 n ASP 56 N -2.20 -3.41 -4.26 2.61 8.00 -1.26 -2.86 116.55 113.17 1r79 n ASP 56 Ca 0.00 0.53 -0.35 0.00 0.71 0.00 0.00 54.79 55.69 1r79 n ASP 56 Cb 0.19 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.41 1r79 n ASP 56 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1r79 s TRP 57 N -1.75 2.92 -0.05 1.24 0.52 -1.13 0.01 118.94 120.70 1r79 s TRP 57 Ca 0.48 -1.15 0.06 0.00 0.02 0.00 0.00 56.10 55.51 1r79 s TRP 57 Cb -0.41 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 29.84 1r79 s TRP 57 CO 0.59 -0.62 -0.23 -0.98 0.02 0.00 0.00 176.95 175.72 1r79 s ARG 58 N 1.42 2.32 0.58 4.98 1.70 -1.24 -1.52 118.95 127.20 1r79 s ARG 58 Ca 0.05 -0.84 -0.18 0.00 -0.47 0.00 0.00 55.73 54.29 1r79 s ARG 58 Cb -0.14 -2.01 -0.04 0.00 -0.57 0.00 0.00 34.95 32.19 1r79 s ARG 58 CO -0.06 0.37 1.14 0.00 -1.08 0.00 0.00 175.30 175.68 1r79 n LEU 60 N -1.63 0.00 -0.01 0.00 0.00 -1.01 -3.21 117.00 111.15 1r79 n LEU 60 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.12 1r79 n LEU 60 Cb 0.51 0.19 -0.00 0.00 0.00 0.00 0.00 43.42 44.12 1r79 n LEU 60 CO 0.44 0.19 0.03 -0.50 0.00 0.00 0.00 177.39 177.55 1r79 h TRP 61 N 0.00 -0.03 0.00 1.96 6.55 -1.84 -3.37 115.95 119.22 1r79 h TRP 61 Ca -0.21 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.63 1r79 h TRP 61 Cb 1.42 0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.73 1r79 h TRP 61 CO 0.00 -0.02 -0.22 0.00 -1.05 0.00 0.00 178.44 177.15 1r79 n LYS 63 N -2.10 -4.99 -3.98 0.00 5.02 -1.20 -5.01 118.16 105.91 1r79 n LYS 63 Ca 0.05 0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 1r79 n LYS 63 Cb 0.42 -5.36 -0.15 0.00 -0.02 0.00 0.00 35.03 29.93 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r79 s ALA 64 N -3.31 2.66 0.00 7.82 0.00 -1.24 -4.86 121.76 122.83 1r79 s ALA 64 Ca 0.07 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 1r79 s ALA 64 Cb -0.01 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1r79 s ALA 64 CO 0.63 -0.62 0.67 -1.64 0.00 0.00 0.00 175.76 174.80 1r79 s MET 65 N 1.36 4.41 0.05 0.00 -1.94 -1.26 -1.07 119.30 120.85 1r79 s MET 65 Ca 0.03 0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 54.88 1r79 s MET 65 Cb -0.15 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 1r79 s MET 65 CO -0.06 0.28 -0.03 0.14 -0.01 0.00 0.00 175.02 175.34 1r79 s VAL 66 N 0.04 0.26 0.31 -6.03 -7.23 -0.57 -0.65 120.40 106.53 1r79 s VAL 66 Ca 0.35 -1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 1r79 s VAL 66 Cb -0.19 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.13 1r79 s VAL 66 CO 0.19 -0.99 0.74 -1.00 -0.31 0.00 0.00 175.10 173.74 1r79 s HIS 67 N -3.90 3.41 0.44 2.82 3.76 -1.26 -2.83 115.29 117.74 1r79 s HIS 67 Ca 0.07 1.26 0.33 0.00 -0.15 0.00 0.00 55.06 56.57 1r79 s HIS 67 Cb 0.08 -2.56 1.50 0.00 1.11 0.00 0.00 32.58 32.70 1r79 s HIS 67 CO -0.10 0.12 1.58 1.79 -0.85 0.00 0.00 174.74 177.29 1r79 h THR 68 N 2.08 0.01 0.02 1.30 1.35 -1.92 0.61 112.91 116.36 1r79 h THR 68 Ca -0.48 -0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.17 1r79 h THR 68 Cb 1.18 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 1r79 h THR 68 CO 0.65 0.00 -1.10 -1.28 -0.25 0.00 0.00 175.52 173.54 1r79 h SER 69 N 0.01 0.06 -0.18 5.36 0.87 -2.02 -3.35 113.55 114.30 1r79 h SER 69 Ca 0.88 -0.65 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 1r79 h SER 69 Cb 2.84 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 64.78 1r79 h SER 69 CO -0.46 1.44 0.24 0.00 -0.53 0.00 0.00 176.83 177.52 1r79 h LYS 71 N 0.00 -0.66 -0.86 0.00 3.64 -0.05 -2.04 116.57 116.60 1r79 h LYS 71 Ca 0.08 0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.72 1r79 h LYS 71 Cb 0.56 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1r79 h LYS 71 CO -0.00 -0.44 0.58 1.05 -2.27 0.00 0.00 179.45 178.37 1r79 h GLU 72 N -0.69 0.28 -0.89 1.90 4.11 -1.68 0.40 114.58 118.02 1r79 h GLU 72 Ca -0.04 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.42 1r79 h GLU 72 Cb 0.59 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1r79 h GLU 72 CO -0.04 0.19 0.56 1.03 0.07 0.00 0.00 179.01 180.82 1r79 h SER 73 N 0.29 0.90 -3.00 3.06 0.87 -1.36 -3.41 113.55 110.90 1r79 h SER 73 Ca 0.43 0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 60.48 1r79 h SER 73 Cb 1.24 -0.18 0.05 0.00 -0.44 0.00 0.00 62.40 63.07 1r79 h SER 73 CO -0.12 0.59 0.87 -0.22 -0.53 0.00 0.00 176.83 177.41 1r79 s LEU 74 N -10.19 4.37 0.00 2.23 2.96 0.13 -4.89 118.68 113.29 1r79 s LEU 74 Ca -0.13 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 1r79 s LEU 74 Cb 0.18 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.27 1r79 s LEU 74 CO 0.80 -0.82 0.00 0.00 -1.32 0.00 0.00 176.35 175.00 1r79 n LEU 75 N 3.37 2.00 -4.22 -0.68 -0.00 -1.26 -5.02 117.00 111.19 1r79 n LEU 75 Ca 0.12 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.74 1r79 n LEU 75 Cb 0.38 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.82 1r79 n LEU 75 CO 0.62 0.32 -0.72 1.07 -0.00 0.00 0.00 177.39 178.67 1r79 n THR 76 N -2.49 0.12 -1.11 1.47 5.66 -1.26 -4.92 114.28 111.75 1r79 n THR 76 Ca 0.00 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.21 1r79 n THR 76 Cb 0.43 -0.04 0.20 0.00 -1.55 0.00 0.00 70.33 69.37 1r79 n THR 76 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1r79 s LYS 77 N -1.26 -0.23 0.20 1.09 -0.14 -1.26 -4.99 119.74 113.15 1r79 s LYS 77 Ca 0.55 0.33 0.05 0.00 -1.36 0.00 0.00 55.97 55.53 1r79 s LYS 77 Cb -0.44 -1.68 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 1r79 s LYS 77 CO 0.68 -3.13 0.24 0.00 -0.76 0.00 0.00 175.35 172.38 1r79 h SER 79 N 1.81 -0.26 -5.00 0.00 0.02 -1.93 -3.49 113.55 104.71 1r79 h SER 79 Ca -0.49 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1r79 h SER 79 Cb 1.22 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1r79 h SER 79 CO 0.63 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 177.06 1r79 n GLY 80 N -0.17 2.83 0.22 -3.77 0.00 -1.26 -4.74 105.19 98.29 1r79 n GLY 80 Ca -0.09 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1r79 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r79 n PRO 81 N -0.60 0.49 -0.67 1.61 -0.04 -1.26 -4.19 135.00 130.33 1r79 n PRO 81 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1r79 n PRO 81 Cb 0.00 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1r79 n PRO 81 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1r79 n SER 82 N -0.17 4.84 -3.77 3.54 3.41 -1.26 -4.62 113.62 115.58 1r79 n SER 82 Ca 0.00 -2.34 -0.30 0.00 -0.26 0.00 0.00 58.87 55.97 1r79 n SER 82 Cb 0.05 -1.16 -0.14 0.00 -0.26 0.00 0.00 64.21 62.71 1r79 n SER 82 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1r79 s SER 83 N 2.04 3.87 0.00 4.04 0.15 -1.26 -5.18 113.70 117.36 1r79 s SER 83 Ca 0.29 -2.53 0.00 0.00 0.70 0.00 0.00 55.95 54.41 1r79 s SER 83 Cb 0.14 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1r79 s SER 83 CO 0.00 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.76