#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 -1.02 0.12 1.61 0.01 -1.26 -5.05 113.70 108.11 1r79 s SER 2 Ca 0.00 1.03 -0.21 0.00 1.31 0.00 0.00 55.95 58.08 1r79 s SER 2 Cb 0.00 2.01 -0.07 0.00 0.21 0.00 0.00 66.02 68.17 1r79 s SER 2 CO 0.00 -0.19 1.71 0.28 0.41 0.00 0.00 173.24 175.45 1r79 h SER 3 N 7.89 -0.17 -3.15 2.44 0.02 -2.15 -3.48 113.55 114.95 1r79 h SER 3 Ca -0.19 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1r79 h SER 3 Cb 1.13 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1r79 h SER 3 CO 0.12 -0.07 -0.09 0.61 -1.14 0.00 0.00 176.83 176.26 1r79 n GLY 4 N -1.18 -3.34 3.53 -3.77 0.00 -1.26 -5.12 105.19 94.04 1r79 n GLY 4 Ca -0.04 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 1r79 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r79 s SER 5 N -0.05 -0.58 -0.21 1.61 0.15 -1.26 -5.18 113.70 108.18 1r79 s SER 5 Ca 0.00 0.59 -0.29 0.00 0.70 0.00 0.00 55.95 56.95 1r79 s SER 5 Cb 0.00 0.48 0.15 0.00 -1.71 0.00 0.00 66.02 64.94 1r79 s SER 5 CO 0.00 -0.56 1.14 -0.44 1.20 0.00 0.00 173.24 174.58 1r79 s SER 6 N -1.27 -0.24 0.00 5.45 0.01 -1.26 -5.16 113.70 111.23 1r79 s SER 6 Ca -0.08 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1r79 s SER 6 Cb -0.00 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1r79 s SER 6 CO 0.06 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1r79 n GLY 7 N 0.73 1.04 2.89 3.44 0.00 -1.26 -5.17 105.19 106.86 1r79 n GLY 7 Ca -0.07 0.53 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 1r79 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r79 s THR 8 N 0.00 -0.04 0.03 2.61 2.01 -1.26 -5.16 115.64 113.84 1r79 s THR 8 Ca 0.00 0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.00 1r79 s THR 8 Cb 0.00 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 72.36 1r79 s THR 8 CO 0.00 0.07 0.36 0.28 -0.69 0.00 0.00 174.62 174.63 1r79 s THR 9 N 0.94 0.07 -0.28 -0.82 -1.32 -1.26 -5.17 115.64 107.80 1r79 s THR 9 Ca -0.07 -0.55 -0.26 0.00 -1.21 0.00 0.00 61.69 59.60 1r79 s THR 9 Cb -0.10 -0.90 0.14 0.00 -1.51 0.00 0.00 72.50 70.13 1r79 s THR 9 CO -0.04 -0.30 1.14 -0.22 -2.21 0.00 0.00 174.62 172.99 1r79 s LEU 10 N -1.92 -0.33 -0.15 9.08 2.96 -1.26 -5.18 118.68 121.87 1r79 s LEU 10 Ca -0.06 0.62 -0.32 0.00 -0.22 0.00 0.00 54.13 54.15 1r79 s LEU 10 Cb -0.01 1.67 0.13 0.00 0.50 0.00 0.00 46.19 48.47 1r79 s LEU 10 CO -0.02 -0.13 1.09 0.00 -1.32 0.00 0.00 176.35 175.98 1r79 s ALA 11 N 0.04 -1.98 -0.30 5.97 0.00 -1.26 -5.16 121.76 119.06 1r79 s ALA 11 Ca 0.04 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 1r79 s ALA 11 Cb -0.05 -0.27 0.16 0.00 0.00 0.00 0.00 23.12 22.97 1r79 s ALA 11 CO -0.08 -0.51 0.86 0.45 0.00 0.00 0.00 175.76 176.48 1r79 s SER 12 N -1.88 -0.82 0.08 0.00 0.15 -1.26 -5.17 113.70 104.80 1r79 s SER 12 Ca 0.06 0.91 0.09 0.00 0.70 0.00 0.00 55.95 57.70 1r79 s SER 12 Cb -0.01 1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 66.11 1r79 s SER 12 CO -0.05 -0.16 -0.23 -0.63 1.20 0.00 0.00 173.24 173.38 1r79 s ILE 13 N 2.70 1.85 -0.34 6.45 -1.09 -1.26 -5.11 121.20 124.39 1r79 s ILE 13 Ca 0.01 -1.44 0.03 0.00 -2.23 0.00 0.00 60.65 57.01 1r79 s ILE 13 Cb -0.09 -1.63 0.15 0.00 -1.58 0.00 0.00 42.46 39.31 1r79 s ILE 13 CO -0.17 0.11 0.39 -0.83 -1.23 0.00 0.00 174.94 173.20 1r79 s GLY 14 N -1.60 -0.25 -0.53 6.18 0.00 -1.26 -5.07 107.32 104.79 1r79 s GLY 14 Ca 0.09 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.33 1r79 s GLY 14 CO 0.03 2.85 0.38 0.54 0.00 0.00 0.00 173.10 176.90 1r79 s LYS 15 N 1.88 1.57 0.17 2.90 -0.14 -1.26 -5.10 119.74 119.77 1r79 s LYS 15 Ca 0.14 -2.56 -0.32 0.00 -1.36 0.00 0.00 55.97 51.88 1r79 s LYS 15 Cb -0.14 -2.37 -0.11 0.00 -1.68 0.00 0.00 37.83 33.54 1r79 s LYS 15 CO -0.15 -1.30 1.72 0.34 -0.76 0.00 0.00 175.35 175.20 1r79 s ASP 16 N -0.45 6.44 0.40 2.83 2.15 -1.26 -4.93 116.67 121.84 1r79 s ASP 16 Ca 0.27 2.78 -0.27 0.00 0.43 0.00 0.00 52.55 55.75 1r79 s ASP 16 Cb -0.05 -2.59 -0.10 0.00 -0.30 0.00 0.00 42.92 39.88 1r79 s ASP 16 CO -0.14 -0.95 1.44 -0.63 -0.17 0.00 0.00 175.17 174.71 1r79 s ILE 17 N 1.64 2.17 -0.10 4.11 1.09 -1.26 -5.00 121.20 123.85 1r79 s ILE 17 Ca 0.75 0.16 -0.09 0.00 -1.10 0.00 0.00 60.65 60.38 1r79 s ILE 17 Cb -0.47 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 1r79 s ILE 17 CO 0.33 0.03 0.20 -0.63 -0.10 0.00 0.00 174.94 174.77 1r79 s ILE 18 N -1.16 5.40 0.00 2.92 1.01 -1.26 -4.96 121.20 123.15 1r79 s ILE 18 Ca 0.55 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1r79 s ILE 18 Cb -0.44 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1r79 s ILE 18 CO 0.59 0.60 0.00 -0.62 0.00 0.00 0.00 174.94 175.51 1r79 n GLU 19 N 2.05 0.00 -3.67 2.79 -0.58 -1.26 -5.13 120.64 114.83 1r79 n GLU 19 Ca -0.18 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.52 1r79 n GLU 19 Cb 0.54 -0.75 -0.01 0.00 -0.57 0.00 0.00 31.44 30.65 1r79 n GLU 19 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1r79 s ASP 20 N -4.30 -0.19 -0.07 1.62 -1.08 -1.26 -4.86 116.67 106.53 1r79 s ASP 20 Ca 0.00 -0.25 0.05 0.00 -0.52 0.00 0.00 52.55 51.83 1r79 s ASP 20 Cb 0.00 0.39 -0.08 0.00 -1.46 0.00 0.00 42.92 41.77 1r79 s ASP 20 CO 0.00 -0.70 0.01 0.00 0.52 0.00 0.00 175.17 175.00 1r79 n ALA 21 N -0.41 1.84 -0.02 3.66 0.00 -1.26 -4.63 120.51 119.70 1r79 n ALA 21 Ca -0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 1r79 n ALA 21 Cb 0.61 0.13 -0.00 0.00 0.00 0.00 0.00 19.45 20.19 1r79 n ALA 21 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1r79 h ASP 22 N 0.00 -0.05 -1.49 0.00 3.58 -2.05 -3.46 116.42 112.95 1r79 h ASP 22 Ca -0.18 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.08 1r79 h ASP 22 Cb 1.39 0.01 -0.25 0.00 1.72 0.00 0.00 39.33 42.19 1r79 h ASP 22 CO 0.01 0.39 -0.55 -0.83 -2.88 0.00 0.00 179.24 175.37 1r79 s GLY 23 N -3.30 -0.66 0.09 -0.78 0.00 -1.26 -5.13 107.32 96.28 1r79 s GLY 23 Ca -0.01 -0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.19 1r79 s GLY 23 CO 0.03 3.20 0.72 1.39 0.00 0.00 0.00 173.10 178.43 1r79 n ILE 24 N 4.56 0.95 -2.61 0.90 2.08 -1.26 -4.90 119.36 119.08 1r79 n ILE 24 Ca 0.09 -0.24 -0.13 0.00 0.56 0.00 0.00 62.75 63.03 1r79 n ILE 24 Cb 0.51 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.42 1r79 n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r79 n ALA 25 N 0.66 3.82 -2.68 -1.39 0.00 -1.26 -5.05 120.51 114.61 1r79 n ALA 25 Ca 0.17 -3.42 -0.40 0.00 0.00 0.00 0.00 53.44 49.80 1r79 n ALA 25 Cb 0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 1r79 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r79 s MET 26 N -3.27 4.28 1.23 0.00 0.23 -1.26 -5.07 119.30 115.44 1r79 s MET 26 Ca 0.33 0.68 -0.20 0.00 -1.03 0.00 0.00 55.69 55.46 1r79 s MET 26 Cb 0.44 -3.53 0.30 0.00 -1.53 0.00 0.00 34.83 30.50 1r79 s MET 26 CO -0.02 -0.13 1.11 -1.25 -2.03 0.00 0.00 175.02 172.70 1r79 s PRO 27 N 1.53 -1.41 -0.11 3.16 0.04 -1.26 -4.00 135.00 132.95 1r79 s PRO 27 Ca 0.31 -0.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.00 1r79 s PRO 27 Cb -0.16 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1r79 s PRO 27 CO 0.12 -3.82 0.65 -1.01 0.04 0.00 0.00 177.00 172.97 1r79 s HIS 28 N -3.01 3.51 -0.95 0.56 3.76 -1.26 -4.77 115.29 113.13 1r79 s HIS 28 Ca 0.71 1.11 -0.24 0.00 -0.15 0.00 0.00 55.06 56.49 1r79 s HIS 28 Cb -0.09 -2.77 0.01 0.00 1.11 0.00 0.00 32.58 30.84 1r79 s HIS 28 CO 0.56 0.02 1.66 -1.14 -0.85 0.00 0.00 174.74 174.99 1r79 s GLN 29 N 1.11 3.13 0.05 1.40 2.00 -1.26 -4.96 119.66 121.13 1r79 s GLN 29 Ca 0.33 -0.71 -0.31 0.00 -2.00 0.00 0.00 55.36 52.67 1r79 s GLN 29 Cb -0.17 -5.18 -0.05 0.00 0.80 0.00 0.00 33.01 28.41 1r79 s GLN 29 CO 0.14 -2.69 1.19 -1.58 -0.50 0.00 0.00 175.29 171.84 1r79 s TRP 30 N 7.17 3.44 -0.37 1.67 0.23 -1.26 -2.73 118.94 127.09 1r79 s TRP 30 Ca 0.56 1.32 0.01 0.00 -2.03 0.00 0.00 56.10 55.95 1r79 s TRP 30 Cb -0.03 -3.40 0.10 0.00 0.03 0.00 0.00 33.47 30.17 1r79 s TRP 30 CO -0.05 -1.20 0.11 -1.17 0.96 0.00 0.00 176.95 175.60 1r79 s LEU 31 N 1.13 4.90 -0.03 2.99 0.20 -0.75 -4.89 118.68 122.23 1r79 s LEU 31 Ca 0.58 -2.03 -0.40 0.00 0.69 0.00 0.00 54.13 52.97 1r79 s LEU 31 Cb -0.29 -1.72 -0.20 0.00 -0.43 0.00 0.00 46.19 43.55 1r79 s LEU 31 CO 0.29 -0.44 1.12 1.21 -0.29 0.00 0.00 176.35 178.23 1r79 n GLU 32 N 4.43 0.06 0.00 1.98 2.13 -1.26 -3.59 120.64 124.39 1r79 n GLU 32 Ca -0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1r79 n GLU 32 Cb 0.42 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.60 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 1.71 1.07 3.19 8.31 0.00 0.34 -4.84 105.19 114.98 1r79 n GLY 33 Ca 0.21 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.80 -3.34 -4.39 1.61 4.13 -1.26 -4.52 115.26 104.69 1r79 n ASN 34 Ca 0.00 -0.52 -0.33 0.00 1.68 0.00 0.00 54.58 55.41 1r79 n ASN 34 Cb 0.00 -4.51 -0.14 0.00 -1.54 0.00 0.00 39.78 33.59 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 -6.05 2.73 0.42 3.41 2.01 -1.26 -4.94 118.68 115.00 1r79 s LEU 35 Ca 0.18 -0.30 -0.24 0.00 0.01 0.00 0.00 54.13 53.77 1r79 s LEU 35 Cb -0.08 -1.60 -0.08 0.00 0.01 0.00 0.00 46.19 44.44 1r79 s LEU 35 CO 0.64 0.20 1.18 -2.16 1.01 0.00 0.00 176.35 177.21 1r79 s PRO 36 N 0.16 3.92 0.41 1.29 0.04 -1.26 -4.90 135.00 134.65 1r79 s PRO 36 Ca -0.07 1.84 0.23 0.00 0.04 0.00 0.00 61.00 63.04 1r79 s PRO 36 Cb -0.15 -2.57 1.25 0.00 0.04 0.00 0.00 34.50 33.06 1r79 s PRO 36 CO 0.05 -0.43 1.68 -0.39 0.04 0.00 0.00 177.00 177.95 1r79 h VAL 37 N 2.15 0.30 -0.70 -0.36 -1.51 -1.95 0.62 116.25 114.79 1r79 h VAL 37 Ca -0.49 -0.08 -0.48 0.00 -1.23 0.00 0.00 66.70 64.42 1r79 h VAL 37 Cb 1.24 0.04 -0.20 0.00 -2.13 0.00 0.00 31.29 30.24 1r79 h VAL 37 CO 0.62 0.04 0.62 -0.24 -1.23 0.00 0.00 177.57 177.37 1r79 n SER 38 N -4.74 6.96 -4.83 4.19 2.88 -1.26 -4.87 113.62 111.95 1r79 n SER 38 Ca 0.32 -3.38 -0.38 0.00 -1.33 0.00 0.00 58.87 54.10 1r79 n SER 38 Cb 1.15 -1.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.53 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r79 s ALA 39 N -2.69 3.69 0.34 -1.46 0.00 0.22 -5.01 121.76 116.85 1r79 s ALA 39 Ca 0.46 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1r79 s ALA 39 Cb 0.36 -2.38 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 1r79 s ALA 39 CO -0.01 0.44 0.06 0.21 0.00 0.00 0.00 175.76 176.47 1r79 s LYS 40 N -0.90 1.71 0.20 0.00 2.20 -1.26 0.82 119.74 122.51 1r79 s LYS 40 Ca 0.23 -1.97 -0.06 0.00 -0.36 0.00 0.00 55.97 53.82 1r79 s LYS 40 Cb -0.16 -0.91 -0.06 0.00 -1.51 0.00 0.00 37.83 35.19 1r79 s LYS 40 CO 0.12 -0.21 0.46 0.00 -0.36 0.00 0.00 175.35 175.36 1r79 n THR 42 N -0.22 0.00 -0.11 0.00 5.66 -0.37 -2.97 114.28 116.27 1r79 n THR 42 Ca -0.02 -0.47 -0.17 0.00 -3.05 0.00 0.00 64.05 60.34 1r79 n THR 42 Cb 0.52 1.29 -0.09 0.00 -1.55 0.00 0.00 70.33 70.50 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 0.68 1.22 0.24 1.08 0.31 -1.26 -4.65 118.33 115.94 1r79 n VAL 43 Ca 0.08 -0.43 0.03 0.00 -0.01 0.00 0.00 64.34 64.02 1r79 n VAL 43 Cb 0.37 -1.39 0.02 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.24 -2.96 -4.21 0.00 5.75 -1.16 -4.99 116.55 109.23 1r79 n ASP 45 Ca 0.03 -0.93 -0.13 0.00 -0.01 0.00 0.00 54.79 53.75 1r79 n ASP 45 Cb 0.14 -3.66 -0.10 0.00 -1.03 0.00 0.00 41.12 36.46 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1r79 s LYS 46 N -5.98 0.94 0.73 0.11 1.02 -1.25 -4.84 119.74 110.45 1r79 s LYS 46 Ca 0.22 -1.33 -0.16 0.00 0.02 0.00 0.00 55.97 54.72 1r79 s LYS 46 Cb -0.07 -0.49 -0.14 0.00 -0.52 0.00 0.00 37.83 36.62 1r79 s LYS 46 CO 0.84 0.05 -0.49 2.41 -0.92 0.00 0.00 175.35 177.24 1r79 n THR 47 N 0.07 0.00 -3.74 2.17 -1.04 -1.26 0.21 114.28 110.69 1r79 n THR 47 Ca -0.12 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.31 1r79 n THR 47 Cb 0.60 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.00 1r79 n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1r79 n GLY 49 N 2.96 1.90 3.75 0.00 0.00 -1.26 -3.70 105.19 108.84 1r79 n GLY 49 Ca -0.14 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1r79 n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r79 s SER 50 N 0.00 5.21 0.32 1.61 0.15 -1.24 -4.97 113.70 114.77 1r79 s SER 50 Ca 0.00 2.37 -0.28 0.00 0.70 0.00 0.00 55.95 58.74 1r79 s SER 50 Cb 0.00 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 1r79 s SER 50 CO 0.00 -1.58 1.15 0.68 1.20 0.00 0.00 173.24 174.69 1r79 s VAL 51 N -1.62 3.28 0.00 4.45 -7.23 -1.26 -3.19 120.40 114.83 1r79 s VAL 51 Ca 0.77 1.23 0.00 0.00 -1.81 0.00 0.00 61.98 62.17 1r79 s VAL 51 Cb -0.30 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1r79 s VAL 51 CO 0.33 0.25 0.00 0.18 -0.31 0.00 0.00 175.10 175.55 1r79 n LEU 52 N 0.84 0.00 -3.71 1.32 4.32 -1.26 -4.80 117.00 113.71 1r79 n LEU 52 Ca 0.00 0.30 -0.14 0.00 -0.02 0.00 0.00 56.01 56.16 1r79 n LEU 52 Cb 0.45 -0.75 -0.08 0.00 -1.62 0.00 0.00 43.42 41.41 1r79 n LEU 52 CO 0.54 0.00 0.11 -0.60 -1.22 0.00 0.00 177.39 176.22 1r79 s ARG 53 N -3.61 0.72 -0.26 3.23 6.06 -1.19 -5.14 118.95 118.75 1r79 s ARG 53 Ca 0.00 0.00 0.02 0.00 -2.50 0.00 0.00 55.73 53.25 1r79 s ARG 53 Cb 0.00 0.33 0.07 0.00 0.06 0.00 0.00 34.95 35.41 1r79 s ARG 53 CO 0.00 -0.19 -0.05 -0.48 -2.50 0.00 0.00 175.30 172.08 1r79 s LEU 54 N -1.09 3.16 0.05 -0.88 0.05 -1.26 -3.72 118.68 114.99 1r79 s LEU 54 Ca -0.11 -1.42 0.00 0.00 0.05 0.00 0.00 54.13 52.65 1r79 s LEU 54 Cb -0.04 -1.35 0.00 0.00 -2.05 0.00 0.00 46.19 42.75 1r79 s LEU 54 CO 0.05 -0.25 0.00 0.00 -0.55 0.00 0.00 176.35 175.60 1r79 n GLN 55 N 4.54 0.00 -0.74 1.48 6.02 -1.26 -4.11 117.38 123.30 1r79 n GLN 55 Ca -0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.65 1r79 n GLN 55 Cb 0.43 -0.16 -0.00 0.00 1.02 0.00 0.00 30.24 31.52 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 -2.86 -1.64 -4.73 1.08 9.92 -1.26 0.06 116.55 117.13 1r79 n ASP 56 Ca 0.00 0.47 -0.34 0.00 -0.53 0.00 0.00 54.79 54.38 1r79 n ASP 56 Cb 0.13 -0.51 -0.08 0.00 -0.64 0.00 0.00 41.12 40.02 1r79 n ASP 56 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1r79 s TRP 57 N -0.96 3.23 -0.09 1.24 0.52 -1.20 0.13 118.94 121.82 1r79 s TRP 57 Ca 0.34 0.22 -0.07 0.00 0.02 0.00 0.00 56.10 56.60 1r79 s TRP 57 Cb -0.37 -1.77 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 1r79 s TRP 57 CO 0.36 0.52 0.22 -0.98 0.02 0.00 0.00 176.95 177.09 1r79 s ARG 58 N -1.25 0.25 0.50 4.98 1.70 -1.24 -1.74 118.95 122.15 1r79 s ARG 58 Ca 0.17 0.34 -0.21 0.00 -0.47 0.00 0.00 55.73 55.56 1r79 s ARG 58 Cb -0.12 0.09 -0.07 0.00 -0.57 0.00 0.00 34.95 34.28 1r79 s ARG 58 CO 0.07 -0.05 1.12 0.00 -1.08 0.00 0.00 175.30 175.36 1r79 n LEU 60 N -0.93 0.29 -0.04 0.00 0.00 -1.10 -3.12 117.00 112.11 1r79 n LEU 60 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 56.01 55.95 1r79 n LEU 60 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.91 1r79 n LEU 60 CO 0.44 0.07 -0.14 -0.50 0.00 0.00 0.00 177.39 177.26 1r79 h TRP 61 N 0.00 0.00 -0.00 1.96 6.55 -1.86 -3.39 115.95 119.21 1r79 h TRP 61 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1r79 h TRP 61 Cb 0.86 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.16 1r79 h TRP 61 CO 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 178.44 177.25 1r79 n LYS 63 N -1.39 -4.54 -4.17 0.00 4.76 -1.18 -5.02 118.16 106.61 1r79 n LYS 63 Ca 0.08 0.86 -0.25 0.00 -2.87 0.00 0.00 58.31 56.13 1r79 n LYS 63 Cb 0.32 -5.84 -0.06 0.00 -1.84 0.00 0.00 35.03 27.61 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r79 s ALA 64 N -3.37 3.37 -0.06 7.82 0.00 -1.22 -4.86 121.76 123.43 1r79 s ALA 64 Ca 0.22 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.79 1r79 s ALA 64 Cb -0.03 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1r79 s ALA 64 CO 0.73 0.39 -0.09 -1.64 0.00 0.00 0.00 175.76 175.15 1r79 s MET 65 N -3.33 1.39 0.05 0.00 -1.94 -1.26 0.73 119.30 114.94 1r79 s MET 65 Ca 0.30 -0.29 -0.01 0.00 -1.71 0.00 0.00 55.69 53.98 1r79 s MET 65 Cb -0.09 -1.24 -0.03 0.00 2.01 0.00 0.00 34.83 35.48 1r79 s MET 65 CO 0.21 -0.05 -0.02 0.14 -0.01 0.00 0.00 175.02 175.30 1r79 s VAL 66 N 0.89 0.20 0.22 -6.03 -7.23 -0.71 -1.24 120.40 106.50 1r79 s VAL 66 Ca -0.11 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.20 1r79 s VAL 66 Cb -0.15 -1.35 -0.08 0.00 0.56 0.00 0.00 36.38 35.36 1r79 s VAL 66 CO 0.01 -0.91 0.73 -1.00 -0.31 0.00 0.00 175.10 173.62 1r79 s HIS 67 N -3.60 3.66 0.22 2.82 3.76 -1.26 -3.24 115.29 117.64 1r79 s HIS 67 Ca 0.04 1.41 -0.02 0.00 -0.15 0.00 0.00 55.06 56.34 1r79 s HIS 67 Cb 0.06 -2.63 0.45 0.00 1.11 0.00 0.00 32.58 31.56 1r79 s HIS 67 CO -0.09 0.34 1.14 0.25 -0.85 0.00 0.00 174.74 175.53 1r79 n THR 68 N 0.76 -0.31 0.06 1.30 -2.24 -1.26 0.58 114.28 113.18 1r79 n THR 68 Ca -0.02 1.63 -0.09 0.00 -2.27 0.00 0.00 64.05 63.30 1r79 n THR 68 Cb 0.51 -2.32 -0.06 0.00 -2.10 0.00 0.00 70.33 66.36 1r79 n THR 68 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1r79 h SER 69 N 0.00 -0.21 -0.81 3.42 0.87 -2.03 -3.31 113.55 111.48 1r79 h SER 69 Ca 0.40 -0.26 0.20 0.00 -1.23 0.00 0.00 61.79 60.90 1r79 h SER 69 Cb 0.73 0.05 -0.13 0.00 -0.44 0.00 0.00 62.40 62.61 1r79 h SER 69 CO -0.71 0.34 0.12 0.00 -0.53 0.00 0.00 176.83 176.05 1r79 n LYS 71 N -5.28 -0.24 -0.28 0.00 4.81 0.20 0.25 118.16 117.62 1r79 n LYS 71 Ca 0.17 1.24 0.14 0.00 -0.87 0.00 0.00 58.31 58.99 1r79 n LYS 71 Cb 0.57 -1.83 0.40 0.00 0.02 0.00 0.00 35.03 34.19 1r79 n LYS 71 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1r79 h GLU 72 N 0.00 0.61 -0.34 1.64 5.08 -1.38 0.04 114.58 120.22 1r79 h GLU 72 Ca 0.24 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1r79 h GLU 72 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1r79 h GLU 72 CO -0.79 0.41 -0.36 0.77 -1.00 0.00 0.00 179.01 178.04 1r79 h SER 73 N 0.63 0.84 -1.91 1.42 0.02 0.32 -3.44 113.55 111.44 1r79 h SER 73 Ca 0.48 -0.37 -0.65 0.00 -0.84 0.00 0.00 61.79 60.41 1r79 h SER 73 Cb 0.87 -0.24 0.05 0.00 0.14 0.00 0.00 62.40 63.22 1r79 h SER 73 CO -0.23 1.11 0.68 -0.11 -1.14 0.00 0.00 176.83 177.15 1r79 n LEU 74 N -4.06 2.40 -0.05 5.07 7.94 -0.00 -4.88 117.00 123.42 1r79 n LEU 74 Ca -0.02 1.09 -0.10 0.00 -1.11 0.00 0.00 56.01 55.88 1r79 n LEU 74 Cb 0.52 -1.28 -0.04 0.00 0.53 0.00 0.00 43.42 43.15 1r79 n LEU 74 CO 0.47 -0.62 -0.83 0.18 -1.11 0.00 0.00 177.39 175.48 1r79 n LEU 75 N 3.51 1.16 -3.40 -1.96 4.77 -1.26 -5.00 117.00 114.82 1r79 n LEU 75 Ca 0.19 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1r79 n LEU 75 Cb 0.23 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1r79 n LEU 75 CO 0.66 0.29 0.29 0.35 -1.33 0.00 0.00 177.39 177.65 1r79 n THR 76 N -3.30 0.50 -2.39 -5.08 -2.24 -1.26 -4.92 114.28 95.60 1r79 n THR 76 Ca -0.18 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 1r79 n THR 76 Cb 0.64 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1r79 n THR 76 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1r79 s LYS 77 N -0.25 2.89 0.57 -0.78 -0.14 -1.26 -5.01 119.74 115.77 1r79 s LYS 77 Ca 0.62 -0.02 -0.02 0.00 -1.36 0.00 0.00 55.97 55.20 1r79 s LYS 77 Cb -0.88 -2.27 0.03 0.00 -1.68 0.00 0.00 37.83 33.03 1r79 s LYS 77 CO 0.43 -0.72 0.84 0.00 -0.76 0.00 0.00 175.35 175.14 1r79 n SER 79 N -2.48 2.05 0.00 0.00 7.64 -1.26 -4.81 113.62 114.76 1r79 n SER 79 Ca 0.06 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1r79 n SER 79 Cb 0.59 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r79 n GLY 80 N 2.31 3.89 0.24 0.23 0.00 -1.26 -3.59 105.19 107.00 1r79 n GLY 80 Ca -0.33 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1r79 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r79 h PRO 81 N 0.00 0.81 0.00 1.61 0.13 -1.91 -3.40 132.00 129.23 1r79 h PRO 81 Ca 0.00 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1r79 h PRO 81 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1r79 h PRO 81 CO 0.00 1.06 -0.69 -1.13 -0.23 0.00 0.00 178.00 177.01 1r79 n SER 82 N -4.18 3.45 -3.65 1.44 3.41 -1.26 -4.96 113.62 107.87 1r79 n SER 82 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1r79 n SER 82 Cb 0.50 0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 64.83 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 -2.26 -0.08 0.00 4.04 0.15 -1.26 -5.18 113.70 109.11 1r79 s SER 83 Ca 0.00 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1r79 s SER 83 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1r79 s SER 83 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57