#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 -0.19 -0.10 1.61 0.01 -1.26 -5.18 113.70 108.59 1r79 s SER 2 Ca 0.00 -0.40 -0.31 0.00 1.31 0.00 0.00 55.95 56.55 1r79 s SER 2 Cb 0.00 0.47 0.09 0.00 0.21 0.00 0.00 66.02 66.80 1r79 s SER 2 CO 0.00 -0.87 0.81 -0.44 0.41 0.00 0.00 173.24 173.15 1r79 s SER 3 N -2.83 -0.54 0.00 2.44 0.01 -1.26 -5.18 113.70 106.34 1r79 s SER 3 Ca 0.05 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1r79 s SER 3 Cb 0.02 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1r79 s SER 3 CO -0.10 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1r79 n GLY 4 N 0.87 1.78 2.73 3.44 0.00 -1.26 -5.16 105.19 107.60 1r79 n GLY 4 Ca -0.15 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 1r79 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r79 s SER 5 N 0.00 0.59 0.69 1.61 1.04 -1.26 -5.15 113.70 111.22 1r79 s SER 5 Ca 0.00 0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.37 1r79 s SER 5 Cb 0.00 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1r79 s SER 5 CO 0.00 -0.18 1.06 -0.94 0.98 0.00 0.00 173.24 174.16 1r79 s SER 6 N 1.54 5.39 0.00 7.02 1.04 -1.26 -4.92 113.70 122.52 1r79 s SER 6 Ca -0.03 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1r79 s SER 6 Cb -0.13 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1r79 s SER 6 CO -0.03 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.36 1r79 n GLY 7 N -2.00 1.16 3.11 7.32 0.00 -1.26 -5.13 105.19 108.39 1r79 n GLY 7 Ca 0.07 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1r79 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r79 s THR 8 N 0.00 -0.09 0.28 2.61 -1.32 -1.26 -5.14 115.64 110.71 1r79 s THR 8 Ca 0.00 0.15 -0.29 0.00 -1.21 0.00 0.00 61.69 60.33 1r79 s THR 8 Cb 0.00 -0.45 -0.10 0.00 -1.51 0.00 0.00 72.50 70.44 1r79 s THR 8 CO 0.00 0.06 1.17 0.42 -2.21 0.00 0.00 174.62 174.06 1r79 s THR 9 N 1.45 3.28 -0.02 5.08 -4.23 -1.26 -5.04 115.64 114.90 1r79 s THR 9 Ca -0.08 1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 61.67 1r79 s THR 9 Cb -0.10 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.96 1r79 s THR 9 CO -0.10 0.28 0.05 -1.48 -0.54 0.00 0.00 174.62 172.84 1r79 s LEU 10 N -1.34 1.50 -0.03 4.79 2.34 -1.26 -5.15 118.68 119.53 1r79 s LEU 10 Ca 0.47 0.11 -0.31 0.00 0.06 0.00 0.00 54.13 54.46 1r79 s LEU 10 Cb -0.34 0.13 0.12 0.00 -0.56 0.00 0.00 46.19 45.54 1r79 s LEU 10 CO 0.44 -0.06 1.27 0.00 -1.06 0.00 0.00 176.35 176.93 1r79 s ALA 11 N 0.43 -2.20 -0.30 1.48 0.00 -1.26 -5.16 121.76 114.74 1r79 s ALA 11 Ca -0.03 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 1r79 s ALA 11 Cb -0.05 0.33 0.16 0.00 0.00 0.00 0.00 23.12 23.56 1r79 s ALA 11 CO -0.01 -1.01 0.80 -1.54 0.00 0.00 0.00 175.76 173.99 1r79 s SER 12 N -2.90 -0.93 0.40 0.00 1.04 -1.26 -5.18 113.70 104.87 1r79 s SER 12 Ca 0.14 1.04 0.07 0.00 0.48 0.00 0.00 55.95 57.68 1r79 s SER 12 Cb 0.04 1.96 -0.07 0.00 0.10 0.00 0.00 66.02 68.06 1r79 s SER 12 CO -0.04 -0.18 0.06 0.27 0.98 0.00 0.00 173.24 174.34 1r79 s ILE 13 N 2.75 2.14 0.23 -1.02 -5.25 -1.26 -5.16 121.20 113.63 1r79 s ILE 13 Ca 0.01 -1.91 0.07 0.00 -0.99 0.00 0.00 60.65 57.83 1r79 s ILE 13 Cb -0.10 -2.97 -0.05 0.00 2.95 0.00 0.00 42.46 42.28 1r79 s ILE 13 CO -0.18 -0.02 -0.10 -0.83 -1.79 0.00 0.00 174.94 172.02 1r79 s GLY 14 N -3.77 1.55 -0.19 6.27 0.00 -1.26 -5.14 107.32 104.78 1r79 s GLY 14 Ca 0.37 -1.74 -0.07 0.00 0.00 0.00 0.00 44.72 43.28 1r79 s GLY 14 CO 0.20 -1.76 0.04 0.54 0.00 0.00 0.00 173.10 172.11 1r79 s LYS 15 N -3.70 3.85 -0.23 2.90 -0.14 -1.26 -5.08 119.74 116.08 1r79 s LYS 15 Ca 0.25 -0.41 -0.09 0.00 -1.36 0.00 0.00 55.97 54.36 1r79 s LYS 15 Cb 0.02 -3.16 0.09 0.00 -1.68 0.00 0.00 37.83 33.09 1r79 s LYS 15 CO 0.08 0.18 0.51 -0.51 -0.76 0.00 0.00 175.35 174.85 1r79 s ASP 16 N 0.59 -0.60 -0.40 2.83 1.11 -1.26 -5.12 116.67 113.83 1r79 s ASP 16 Ca 0.02 1.18 -0.29 0.00 0.18 0.00 0.00 52.55 53.64 1r79 s ASP 16 Cb -0.13 1.48 0.00 0.00 1.07 0.00 0.00 42.92 45.34 1r79 s ASP 16 CO 0.02 -0.22 1.52 -0.63 1.18 0.00 0.00 175.17 177.04 1r79 s ILE 17 N 2.34 3.77 -0.42 0.77 1.01 -1.26 -4.92 121.20 122.49 1r79 s ILE 17 Ca -0.05 0.78 -0.27 0.00 0.00 0.00 0.00 60.65 61.11 1r79 s ILE 17 Cb -0.10 -4.06 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1r79 s ILE 17 CO -0.15 -0.68 2.37 2.30 0.00 0.00 0.00 174.94 178.78 1r79 n ILE 18 N 7.17 0.02 -3.65 2.92 -5.35 -1.26 -4.94 119.36 114.27 1r79 n ILE 18 Ca 0.18 -0.72 -0.27 0.00 -0.27 0.00 0.00 62.75 61.68 1r79 n ILE 18 Cb 0.48 -2.75 -0.03 0.00 -1.74 0.00 0.00 39.64 35.60 1r79 n ILE 18 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1r79 s GLU 19 N 7.80 3.52 -0.91 6.28 2.56 -1.26 -5.00 118.70 131.69 1r79 s GLU 19 Ca 0.99 -0.34 -0.25 0.00 0.00 0.00 0.00 54.97 55.37 1r79 s GLU 19 Cb -0.22 -2.81 -0.06 0.00 2.00 0.00 0.00 34.13 33.05 1r79 s GLU 19 CO 0.28 0.36 1.99 -0.51 -0.56 0.00 0.00 175.26 176.82 1r79 s ASP 20 N -3.30 5.02 0.42 -1.70 1.11 -1.26 -4.79 116.67 112.16 1r79 s ASP 20 Ca 0.39 -0.67 0.27 0.00 0.18 0.00 0.00 52.55 52.72 1r79 s ASP 20 Cb -0.11 -2.56 1.39 0.00 1.07 0.00 0.00 42.92 42.71 1r79 s ASP 20 CO 0.30 -2.88 1.61 0.00 1.18 0.00 0.00 175.17 175.38 1r79 h ALA 21 N 11.32 2.57 -1.79 5.23 0.00 -2.00 -2.67 119.26 131.93 1r79 h ALA 21 Ca 0.10 0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.58 1r79 h ALA 21 Cb 1.00 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 1r79 h ALA 21 CO 1.19 -1.24 0.79 -0.51 0.00 0.00 0.00 179.25 179.48 1r79 s ASP 22 N -4.50 6.55 -0.53 0.00 1.01 -1.26 -4.44 116.67 113.51 1r79 s ASP 22 Ca -0.08 0.26 -0.07 0.00 0.71 0.00 0.00 52.55 53.38 1r79 s ASP 22 Cb 0.31 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.74 1r79 s ASP 22 CO 0.81 -1.20 0.44 0.61 0.21 0.00 0.00 175.17 176.04 1r79 n GLY 23 N 4.92 -0.69 3.11 0.21 0.00 -1.25 -4.69 105.19 106.80 1r79 n GLY 23 Ca 0.09 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.59 1.17 -2.58 -0.61 -0.00 -1.01 -4.79 119.36 109.95 1r79 n ILE 24 Ca -0.19 -0.46 -0.41 0.00 -0.00 0.00 0.00 62.75 61.68 1r79 n ILE 24 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.10 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 -1.28 2.81 -0.54 -1.39 0.00 -1.26 -4.97 121.76 115.13 1r79 s ALA 25 Ca 0.57 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 1r79 s ALA 25 Cb -0.72 -4.20 0.14 0.00 0.00 0.00 0.00 23.12 18.34 1r79 s ALA 25 CO 0.56 -3.17 0.44 -1.64 0.00 0.00 0.00 175.76 171.95 1r79 s MET 26 N 5.51 2.74 0.00 0.00 -1.94 -1.26 -5.07 119.30 119.28 1r79 s MET 26 Ca 0.35 -1.88 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 1r79 s MET 26 Cb -0.09 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.68 1r79 s MET 26 CO 0.16 -1.24 0.00 -0.35 -0.01 0.00 0.00 175.02 173.58 1r79 n PRO 27 N 4.81 -0.83 -3.67 2.03 -0.04 -1.26 -3.31 135.00 132.73 1r79 n PRO 27 Ca -0.06 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.02 1r79 n PRO 27 Cb 0.41 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.75 1r79 n PRO 27 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1r79 s HIS 28 N -0.90 3.17 -0.94 0.54 3.76 -1.26 -4.57 115.29 115.08 1r79 s HIS 28 Ca 0.00 -0.51 -0.24 0.00 -0.15 0.00 0.00 55.06 54.16 1r79 s HIS 28 Cb 0.00 -2.34 0.02 0.00 1.11 0.00 0.00 32.58 31.37 1r79 s HIS 28 CO 0.00 -0.43 1.56 -1.14 -0.85 0.00 0.00 174.74 173.88 1r79 s GLN 29 N 1.62 3.26 0.12 1.40 2.00 -1.26 -4.97 119.66 121.83 1r79 s GLN 29 Ca 0.05 -0.74 -0.30 0.00 -2.00 0.00 0.00 55.36 52.37 1r79 s GLN 29 Cb -0.17 -5.09 -0.06 0.00 0.80 0.00 0.00 33.01 28.49 1r79 s GLN 29 CO 0.06 -2.48 1.05 -1.58 -0.50 0.00 0.00 175.29 171.84 1r79 s TRP 30 N 6.39 3.65 -0.32 1.67 0.23 -1.26 -1.92 118.94 127.38 1r79 s TRP 30 Ca 0.51 1.64 0.01 0.00 -2.03 0.00 0.00 56.10 56.23 1r79 s TRP 30 Cb -0.03 -3.20 0.10 0.00 0.03 0.00 0.00 33.47 30.36 1r79 s TRP 30 CO -0.03 -0.36 0.07 -0.51 0.96 0.00 0.00 176.95 177.08 1r79 s LEU 31 N 0.11 3.35 0.25 2.99 1.02 -0.80 -4.89 118.68 120.71 1r79 s LEU 31 Ca 0.50 -1.84 -0.27 0.00 0.02 0.00 0.00 54.13 52.54 1r79 s LEU 31 Cb -0.26 -1.21 -0.16 0.00 0.02 0.00 0.00 46.19 44.57 1r79 s LEU 31 CO 0.32 -0.39 0.50 1.21 0.02 0.00 0.00 176.35 178.01 1r79 n GLU 32 N 4.58 0.14 0.00 1.70 2.13 -1.26 -3.40 120.64 124.52 1r79 n GLU 32 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1r79 n GLU 32 Cb 0.42 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.04 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 1.97 0.89 3.01 8.31 0.00 0.35 -4.85 105.19 114.87 1r79 n GLY 33 Ca 0.16 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.77 -3.08 -4.34 1.61 4.13 -1.26 -4.50 115.26 105.05 1r79 n ASN 34 Ca 0.00 -0.54 -0.32 0.00 1.68 0.00 0.00 54.58 55.40 1r79 n ASN 34 Cb 0.00 -4.39 -0.15 0.00 -1.54 0.00 0.00 39.78 33.70 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 -5.47 2.42 1.11 3.41 2.01 -1.26 -4.90 118.68 116.00 1r79 s LEU 35 Ca 0.10 -0.39 -0.16 0.00 0.01 0.00 0.00 54.13 53.70 1r79 s LEU 35 Cb -0.01 -1.49 0.24 0.00 0.01 0.00 0.00 46.19 44.94 1r79 s LEU 35 CO 0.61 0.23 1.10 -2.16 1.01 0.00 0.00 176.35 177.14 1r79 s PRO 36 N -0.06 -0.46 0.15 1.29 0.04 -1.26 -4.94 135.00 129.77 1r79 s PRO 36 Ca -0.05 0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.09 1r79 s PRO 36 Cb -0.14 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1r79 s PRO 36 CO 0.04 -3.26 1.57 -0.39 0.04 0.00 0.00 177.00 175.00 1r79 h VAL 37 N -2.27 1.27 -0.98 -0.36 -1.51 -2.00 -3.01 116.25 107.39 1r79 h VAL 37 Ca -0.50 -1.25 -0.60 0.00 -1.23 0.00 0.00 66.70 63.11 1r79 h VAL 37 Cb 1.31 1.06 -0.30 0.00 -2.13 0.00 0.00 31.29 31.24 1r79 h VAL 37 CO 0.46 0.44 0.75 -1.54 -1.23 0.00 0.00 177.57 176.44 1r79 n SER 38 N -4.21 5.97 -4.77 4.19 3.41 -1.26 -4.92 113.62 112.03 1r79 n SER 38 Ca 0.00 -3.72 -0.37 0.00 -0.26 0.00 0.00 58.87 54.53 1r79 n SER 38 Cb 0.40 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r79 s ALA 39 N -3.60 3.10 0.03 7.33 0.00 -1.14 -5.05 121.76 122.43 1r79 s ALA 39 Ca 0.61 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 53.39 1r79 s ALA 39 Cb 0.49 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1r79 s ALA 39 CO 0.04 -0.38 -0.00 0.21 0.00 0.00 0.00 175.76 175.62 1r79 s LYS 40 N -2.43 0.43 0.56 0.00 2.20 -1.26 -3.14 119.74 116.11 1r79 s LYS 40 Ca 0.58 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 55.28 1r79 s LYS 40 Cb -0.26 0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.16 1r79 s LYS 40 CO 0.33 -0.08 1.01 0.00 -0.36 0.00 0.00 175.35 176.24 1r79 n THR 42 N -2.06 0.00 -0.00 0.00 5.66 -0.48 -2.95 114.28 114.45 1r79 n THR 42 Ca 0.07 -0.25 -0.19 0.00 -3.05 0.00 0.00 64.05 60.62 1r79 n THR 42 Cb 0.54 0.90 -0.14 0.00 -1.55 0.00 0.00 70.33 70.08 1r79 n THR 42 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1r79 n VAL 43 N -1.33 1.75 0.09 1.08 0.31 -1.26 -4.51 118.33 114.46 1r79 n VAL 43 Ca 0.01 -0.68 0.01 0.00 -0.01 0.00 0.00 64.34 63.68 1r79 n VAL 43 Cb 0.18 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 1r79 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r79 n ASP 45 N -1.23 -2.04 -3.84 0.00 9.92 -1.15 -5.02 116.55 113.19 1r79 n ASP 45 Ca 0.00 -0.44 -0.13 0.00 -0.53 0.00 0.00 54.79 53.69 1r79 n ASP 45 Cb 0.05 -3.82 -0.14 0.00 -0.64 0.00 0.00 41.12 36.58 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1r79 s LYS 46 N -4.98 0.06 0.17 -1.24 1.02 -1.25 -4.82 119.74 108.70 1r79 s LYS 46 Ca 0.00 0.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.94 1r79 s LYS 46 Cb -0.00 -0.01 -0.11 0.00 -0.52 0.00 0.00 37.83 37.19 1r79 s LYS 46 CO 0.52 -0.04 0.24 -2.37 -0.92 0.00 0.00 175.35 172.79 1r79 n THR 47 N 3.24 0.99 0.00 2.17 5.66 -1.26 -1.50 114.28 123.58 1r79 n THR 47 Ca -0.15 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1r79 n THR 47 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1r79 n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r79 n GLY 49 N 2.62 -0.27 3.77 0.00 0.00 -1.26 -4.78 105.19 105.28 1r79 n GLY 49 Ca 0.00 0.49 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1r79 n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r79 s SER 50 N 3.84 6.58 -0.56 1.61 0.01 -1.26 -4.79 113.70 119.12 1r79 s SER 50 Ca 0.74 2.80 -0.42 0.00 1.31 0.00 0.00 55.95 60.38 1r79 s SER 50 Cb -0.64 -2.65 -0.19 0.00 0.21 0.00 0.00 66.02 62.74 1r79 s SER 50 CO 0.28 -0.68 2.20 0.52 0.41 0.00 0.00 173.24 175.97 1r79 n VAL 51 N 0.61 0.00 -2.58 3.43 0.31 -1.26 -0.43 118.33 118.40 1r79 n VAL 51 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 1r79 n VAL 51 Cb 0.41 -0.50 -0.03 0.00 -0.91 0.00 0.00 33.84 32.82 1r79 n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r79 n LEU 52 N 7.85 -0.27 -4.57 7.52 -0.00 -1.26 -4.83 117.00 121.43 1r79 n LEU 52 Ca 0.56 -0.27 -0.24 0.00 -0.00 0.00 0.00 56.01 56.07 1r79 n LEU 52 Cb -0.03 -0.79 -0.08 0.00 -0.00 0.00 0.00 43.42 42.51 1r79 n LEU 52 CO 0.88 0.03 -0.39 -0.13 -0.00 0.00 0.00 177.39 177.78 1r79 s ARG 53 N -3.94 2.05 -0.66 1.47 1.81 0.42 -5.07 118.95 115.03 1r79 s ARG 53 Ca 0.27 -1.54 0.04 0.00 -1.72 0.00 0.00 55.73 52.79 1r79 s ARG 53 Cb -0.16 -2.01 0.30 0.00 -0.45 0.00 0.00 34.95 32.63 1r79 s ARG 53 CO 0.33 0.36 0.97 1.28 -0.68 0.00 0.00 175.30 177.56 1r79 n LEU 54 N -0.72 4.54 -0.01 2.53 4.77 -1.26 -4.41 117.00 122.44 1r79 n LEU 54 Ca -0.06 -5.55 -0.03 0.00 -0.03 0.00 0.00 56.01 50.34 1r79 n LEU 54 Cb 0.59 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1r79 n LEU 54 CO 0.39 2.19 -0.21 0.00 -1.33 0.00 0.00 177.39 178.43 1r79 n GLN 55 N 0.26 0.16 -1.04 3.23 6.02 -1.26 -3.14 117.38 121.61 1r79 n GLN 55 Ca 0.31 0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 57.02 1r79 n GLN 55 Cb 0.39 -0.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.93 1r79 n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1r79 n ASP 56 N -3.53 -1.63 -4.83 1.08 8.00 -1.26 -2.37 116.55 112.01 1r79 n ASP 56 Ca -0.04 0.74 -0.25 0.00 0.71 0.00 0.00 54.79 55.95 1r79 n ASP 56 Cb 0.16 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.51 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 -1.05 3.20 -0.18 1.24 0.52 -1.05 0.13 118.94 121.76 1r79 s TRP 57 Ca 0.47 -0.02 -0.13 0.00 0.02 0.00 0.00 56.10 56.44 1r79 s TRP 57 Cb -0.60 -1.51 0.05 0.00 -1.15 0.00 0.00 33.47 30.26 1r79 s TRP 57 CO 0.46 0.52 0.46 -0.98 0.02 0.00 0.00 176.95 177.42 1r79 s ARG 58 N -3.29 0.49 0.46 4.98 1.70 -1.22 -1.26 118.95 120.81 1r79 s ARG 58 Ca 0.32 0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 56.09 1r79 s ARG 58 Cb -0.10 0.14 -0.07 0.00 -0.57 0.00 0.00 34.95 34.35 1r79 s ARG 58 CO 0.25 -0.11 1.23 0.00 -1.08 0.00 0.00 175.30 175.58 1r79 n LEU 60 N -0.44 1.27 -0.09 0.00 7.94 -0.81 -2.75 117.00 122.12 1r79 n LEU 60 Ca 0.07 -0.49 -0.17 0.00 -1.11 0.00 0.00 56.01 54.31 1r79 n LEU 60 Cb 0.47 -0.05 -0.07 0.00 0.53 0.00 0.00 43.42 44.30 1r79 n LEU 60 CO 0.50 0.27 -1.10 0.79 -1.11 0.00 0.00 177.39 176.74 1r79 n TRP 61 N -0.92 0.00 -0.45 1.96 8.01 -1.26 -4.61 117.44 120.16 1r79 n TRP 61 Ca 0.07 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.36 1r79 n TRP 61 Cb 0.38 -0.64 0.30 0.00 -2.01 0.00 0.00 31.31 29.34 1r79 n TRP 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1r79 n LYS 63 N 1.19 -0.85 -3.58 0.00 0.00 -1.11 -4.85 118.16 108.96 1r79 n LYS 63 Ca 0.23 0.09 -0.40 0.00 -0.00 0.00 0.00 58.31 58.23 1r79 n LYS 63 Cb 0.69 -3.32 -0.11 0.00 -0.00 0.00 0.00 35.03 32.29 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r79 s ALA 64 N -3.29 3.36 0.11 0.58 0.00 -1.25 -4.79 121.76 116.47 1r79 s ALA 64 Ca 0.39 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.55 1r79 s ALA 64 Cb -0.23 -2.60 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 1r79 s ALA 64 CO 0.79 -1.17 0.76 -1.64 0.00 0.00 0.00 175.76 174.50 1r79 s MET 65 N 1.63 4.51 0.03 0.00 -1.94 -1.26 -1.22 119.30 121.04 1r79 s MET 65 Ca 0.04 1.09 -0.12 0.00 -1.71 0.00 0.00 55.69 54.99 1r79 s MET 65 Cb -0.18 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.37 1r79 s MET 65 CO 0.08 0.45 0.25 0.14 -0.01 0.00 0.00 175.02 175.93 1r79 s VAL 66 N -0.66 0.09 0.39 -6.03 -7.23 -0.39 -1.38 120.40 105.19 1r79 s VAL 66 Ca 0.36 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.59 1r79 s VAL 66 Cb -0.22 -0.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.81 1r79 s VAL 66 CO 0.24 -0.39 0.99 -1.00 -0.31 0.00 0.00 175.10 174.63 1r79 s HIS 67 N -2.18 3.40 0.39 2.82 3.76 -1.26 -2.51 115.29 119.70 1r79 s HIS 67 Ca -0.08 1.68 0.20 0.00 -0.15 0.00 0.00 55.06 56.71 1r79 s HIS 67 Cb -0.02 -2.99 1.18 0.00 1.11 0.00 0.00 32.58 31.86 1r79 s HIS 67 CO -0.01 -0.24 1.69 1.15 -0.85 0.00 0.00 174.74 176.48 1r79 h THR 68 N 2.22 0.33 0.15 1.30 2.02 -1.93 0.85 112.91 117.84 1r79 h THR 68 Ca -0.48 -0.10 -0.29 0.00 0.77 0.00 0.00 66.41 66.31 1r79 h THR 68 Cb 1.20 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1r79 h THR 68 CO 0.63 0.05 -1.37 -1.28 0.37 0.00 0.00 175.52 173.92 1r79 h SER 69 N 0.29 0.49 0.66 4.18 0.87 -2.03 -3.29 113.55 114.72 1r79 h SER 69 Ca 0.71 -0.56 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1r79 h SER 69 Cb 1.86 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 1r79 h SER 69 CO -0.45 1.45 -0.43 0.00 -0.53 0.00 0.00 176.83 176.86 1r79 h LYS 71 N 0.00 -0.10 -0.85 0.00 3.64 0.40 0.21 116.57 119.88 1r79 h LYS 71 Ca -0.00 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.57 1r79 h LYS 71 Cb 0.88 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.61 1r79 h LYS 71 CO 0.06 -0.06 0.36 1.05 -2.27 0.00 0.00 179.45 178.59 1r79 h GLU 72 N -0.10 0.43 -0.84 1.90 -0.00 -1.75 0.74 114.58 114.95 1r79 h GLU 72 Ca 0.03 -0.03 0.14 0.00 -0.00 0.00 0.00 59.36 59.50 1r79 h GLU 72 Cb 0.19 -0.10 -0.09 0.00 -0.00 0.00 0.00 28.75 28.75 1r79 h GLU 72 CO -0.24 0.28 0.45 1.03 -0.00 0.00 0.00 179.01 180.53 1r79 h SER 73 N 0.44 0.56 -2.21 3.06 0.87 -1.13 -3.41 113.55 111.73 1r79 h SER 73 Ca 0.50 0.08 -0.59 0.00 -1.23 0.00 0.00 61.79 60.55 1r79 h SER 73 Cb 0.86 -0.01 0.04 0.00 -0.44 0.00 0.00 62.40 62.85 1r79 h SER 73 CO -0.47 0.26 0.91 -0.11 -0.53 0.00 0.00 176.83 176.89 1r79 n LEU 74 N -4.84 3.27 -0.05 2.23 7.94 0.25 -4.87 117.00 120.93 1r79 n LEU 74 Ca 0.16 1.04 -0.07 0.00 -1.11 0.00 0.00 56.01 56.04 1r79 n LEU 74 Cb 0.40 -1.42 -0.05 0.00 0.53 0.00 0.00 43.42 42.89 1r79 n LEU 74 CO 0.22 -0.18 -0.83 0.00 -1.11 0.00 0.00 177.39 175.49 1r79 n LEU 75 N 4.58 2.84 -4.24 -1.96 -0.00 -1.26 -5.01 117.00 111.95 1r79 n LEU 75 Ca 0.19 -0.05 -0.38 0.00 -0.00 0.00 0.00 56.01 55.76 1r79 n LEU 75 Cb 0.30 -0.33 0.02 0.00 -0.00 0.00 0.00 43.42 43.41 1r79 n LEU 75 CO 0.67 0.65 -0.65 0.35 -0.00 0.00 0.00 177.39 178.40 1r79 n THR 76 N -2.77 0.27 -3.38 1.47 -2.24 -1.26 -4.96 114.28 101.41 1r79 n THR 76 Ca -0.18 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 60.88 1r79 n THR 76 Cb 0.69 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1r79 n THR 76 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1r79 s LYS 77 N -1.32 3.40 0.57 -0.78 2.47 -1.26 -5.02 119.74 117.80 1r79 s LYS 77 Ca 0.56 -0.43 -0.03 0.00 -1.56 0.00 0.00 55.97 54.51 1r79 s LYS 77 Cb -0.44 -2.68 0.02 0.00 -1.46 0.00 0.00 37.83 33.28 1r79 s LYS 77 CO 0.67 0.11 0.84 0.00 0.16 0.00 0.00 175.35 177.13 1r79 n SER 79 N -2.47 1.97 0.00 0.00 3.41 -1.26 -4.74 113.62 110.52 1r79 n SER 79 Ca 0.05 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1r79 n SER 79 Cb 0.59 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r79 n GLY 80 N 1.56 3.79 3.74 5.00 0.00 -1.26 -4.91 105.19 113.12 1r79 n GLY 80 Ca -0.52 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 1r79 n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r79 s PRO 81 N -2.94 1.74 0.25 1.61 0.04 -1.26 -4.67 135.00 129.77 1r79 s PRO 81 Ca 0.00 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 1r79 s PRO 81 Cb 0.00 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1r79 s PRO 81 CO 0.00 -1.96 1.02 -1.54 0.04 0.00 0.00 177.00 174.57 1r79 s SER 82 N -3.41 7.45 0.31 6.66 1.04 -1.26 -5.04 113.70 119.45 1r79 s SER 82 Ca 0.62 2.10 -0.12 0.00 0.48 0.00 0.00 55.95 59.04 1r79 s SER 82 Cb -0.18 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.34 1r79 s SER 82 CO 0.56 -0.01 0.58 -0.94 0.98 0.00 0.00 173.24 174.41 1r79 s SER 83 N -0.93 0.20 0.00 7.02 1.04 -1.26 -5.21 113.70 114.56 1r79 s SER 83 Ca 0.43 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1r79 s SER 83 Cb -0.29 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1r79 s SER 83 CO 0.36 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.85