#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by6 s VAL 45 N 0.00 0.04 0.28 0.00 1.01 -1.26 -4.96 120.40 115.51 1by6 s VAL 45 Ca 0.00 -1.66 0.27 0.00 0.00 0.00 0.00 61.98 60.58 1by6 s VAL 45 Cb 0.00 -1.02 0.27 0.00 0.00 0.00 0.00 36.38 35.64 1by6 s VAL 45 CO 0.00 -0.92 1.96 -0.78 0.00 0.00 0.00 175.10 175.36 1by6 h ASP 46 N 6.82 0.00 -4.56 3.32 1.82 -2.11 -3.45 116.42 118.25 1by6 h ASP 46 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1by6 h ASP 46 Cb 0.98 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.99 1by6 h ASP 46 CO 0.26 0.16 0.00 1.21 -1.61 0.00 0.00 179.24 179.26 1by6 n GLU 47 N -3.48 -2.76 -0.73 0.28 4.07 -1.26 -4.68 120.64 112.07 1by6 n GLU 47 Ca -0.01 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.83 1by6 n GLU 47 Cb 0.32 -4.14 -0.03 0.00 -0.06 0.00 0.00 31.44 27.53 1by6 n GLU 47 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1by6 n LYS 48 N -2.25 1.52 -1.51 5.31 2.85 -1.26 -4.85 118.16 117.97 1by6 n LYS 48 Ca 0.00 -1.40 -0.39 0.00 -1.05 0.00 0.00 58.31 55.47 1by6 n LYS 48 Cb 0.44 -2.52 -0.13 0.00 -0.65 0.00 0.00 35.03 32.17 1by6 n LYS 48 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1by6 n LEU 49 N 5.47 0.58 -3.43 -5.58 0.00 -1.26 -1.35 117.00 111.42 1by6 n LEU 49 Ca 0.40 0.01 -0.21 0.00 0.00 0.00 0.00 56.01 56.21 1by6 n LEU 49 Cb 0.20 -1.03 0.05 0.00 0.00 0.00 0.00 43.42 42.64 1by6 n LEU 49 CO 0.79 -0.92 0.01 -1.14 0.00 0.00 0.00 177.39 176.14 1by6 n ARG 50 N 8.47 -1.67 0.24 1.96 0.63 -1.26 -4.77 116.66 120.26 1by6 n ARG 50 Ca 0.61 0.76 0.15 0.00 -0.92 0.00 0.00 57.85 58.45 1by6 n ARG 50 Cb 0.13 -4.95 0.64 0.00 0.45 0.00 0.00 32.46 28.73 1by6 n ARG 50 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1by6 h ASP 51 N -1.22 0.00 -0.83 6.15 3.58 -1.61 -1.81 116.42 120.68 1by6 h ASP 51 Ca -0.56 0.00 0.21 0.00 0.42 0.00 0.00 57.03 57.09 1by6 h ASP 51 Cb 1.30 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.21 1by6 h ASP 51 CO 0.44 0.00 0.07 0.25 -2.88 0.00 0.00 179.24 177.12 1by6 h LEU 52 N 0.00 -0.28 -1.26 2.28 5.85 -1.88 0.75 115.31 120.77 1by6 h LEU 52 Ca 0.08 0.21 0.46 0.00 0.84 0.00 0.00 57.88 59.47 1by6 h LEU 52 Cb 1.14 0.35 -0.15 0.00 0.37 0.00 0.00 40.66 42.36 1by6 h LEU 52 CO -0.00 -0.20 0.77 0.22 -0.34 0.00 0.00 178.44 178.89 1by6 h TYR 53 N 0.12 0.62 0.19 1.25 5.03 -1.66 0.18 116.97 122.70 1by6 h TYR 53 Ca 0.48 0.03 -0.27 0.00 2.58 0.00 0.00 58.73 61.56 1by6 h TYR 53 Cb 0.91 -0.14 0.03 0.00 1.55 0.00 0.00 36.73 39.08 1by6 h TYR 53 CO -0.40 -0.35 -1.20 0.77 -1.32 0.00 0.00 178.16 175.67 1by6 h SER 54 N 0.01 0.63 0.00 -2.11 0.02 -1.09 -3.46 113.55 107.56 1by6 h SER 54 Ca 0.87 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1by6 h SER 54 Cb 2.63 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.96 1by6 h SER 54 CO -0.57 1.57 0.00 1.17 -1.14 0.00 0.00 176.83 177.86 1by6 n LYS 55 N -3.91 3.17 -0.06 3.45 4.81 0.64 -4.93 118.16 121.34 1by6 n LYS 55 Ca -0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.17 1by6 n LYS 55 Cb 0.96 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.92 1by6 n LYS 55 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1by6 h SER 56 N 0.00 -0.01 -1.97 3.14 4.64 -1.89 -3.49 113.55 113.97 1by6 h SER 56 Ca 0.00 -0.72 -0.11 0.00 -0.47 0.00 0.00 61.79 60.49 1by6 h SER 56 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1by6 h SER 56 CO 0.00 0.84 -0.18 0.41 -0.87 0.00 0.00 176.83 177.03 1by6 n THR 57 N -4.67 -0.70 -3.25 2.95 -1.04 -1.26 -4.29 114.28 102.03 1by6 n THR 57 Ca -0.08 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 1by6 n THR 57 Cb 0.35 -1.95 0.02 0.00 -1.82 0.00 0.00 70.33 66.93 1by6 n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1by6 n ALA 58 N -2.72 -2.30 0.27 2.41 0.00 -1.26 -4.91 120.51 111.99 1by6 n ALA 58 Ca -0.02 0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.70 1by6 n ALA 58 Cb 0.53 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 1by6 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1by6 n ALA 59 N 0.60 2.78 -0.49 0.00 0.00 -1.26 -4.69 120.51 117.44 1by6 n ALA 59 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1by6 n ALA 59 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1by6 n ALA 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1by6 n MET 60 N -1.25 0.00 -0.03 0.00 0.00 -1.26 -4.85 117.12 109.73 1by6 n MET 60 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.70 1by6 n MET 60 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 33.22 33.23 1by6 n MET 60 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1by6 h SER 61 N 0.00 -0.18 -3.04 6.12 0.02 -2.01 -3.35 113.55 111.11 1by6 h SER 61 Ca 0.00 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.41 1by6 h SER 61 Cb 0.00 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1by6 h SER 61 CO 0.00 -0.02 0.99 -0.89 -1.14 0.00 0.00 176.83 175.76 1by6 s THR 62 N -3.22 4.08 0.00 -2.27 2.01 -1.26 -4.93 115.64 110.05 1by6 s THR 62 Ca -0.01 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.22 1by6 s THR 62 Cb 0.01 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1by6 s THR 62 CO 0.05 -0.39 0.00 0.00 -0.69 0.00 0.00 174.62 173.59 1by6 n TYR 63 N 7.62 0.00 0.09 4.92 9.36 -1.26 -4.61 117.16 133.29 1by6 n TYR 63 Ca 0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.37 1by6 n TYR 63 Cb 0.46 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 1by6 n TYR 63 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1by6 n THR 64 N 0.00 0.00 -2.00 2.97 -2.24 -1.26 -5.01 114.28 106.75 1by6 n THR 64 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1by6 n THR 64 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1by6 n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1by6 n GLY 65 N -1.21 4.09 0.81 3.38 0.00 -1.26 -4.56 105.19 106.45 1by6 n GLY 65 Ca 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.41 1by6 n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1by6 n ILE 66 N 5.12 2.10 0.32 -0.61 2.08 -1.26 -4.75 119.36 122.35 1by6 n ILE 66 Ca 0.50 -3.21 0.20 0.00 0.56 0.00 0.00 62.75 60.80 1by6 n ILE 66 Cb 0.40 -0.24 1.04 0.00 -0.75 0.00 0.00 39.64 40.09 1by6 n ILE 66 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1by6 h PHE 67 N 1.13 0.00 0.00 1.39 3.57 -2.05 -3.16 116.94 117.82 1by6 h PHE 67 Ca 0.02 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1by6 h PHE 67 Cb 1.11 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1by6 h PHE 67 CO 0.73 0.01 -0.74 1.15 -2.23 0.00 0.00 178.31 177.24 1by6 h THR 68 N 0.00 0.47 -2.28 4.41 2.02 -1.97 -3.40 112.91 112.14 1by6 h THR 68 Ca -0.00 -1.55 -0.61 0.00 0.77 0.00 0.00 66.41 65.03 1by6 h THR 68 Cb 0.13 1.08 0.15 0.00 -1.74 0.00 0.00 68.15 67.77 1by6 h THR 68 CO 0.00 0.16 -0.53 0.47 0.37 0.00 0.00 175.52 175.99 1by6 n ASP 69 N -4.56 -1.36 0.00 4.18 9.92 -1.20 -0.79 116.55 122.74 1by6 n ASP 69 Ca -0.17 0.86 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 1by6 n ASP 69 Cb 0.42 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1by6 n ASP 69 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1by6 n GLN 70 N 0.69 0.00 -0.39 -1.24 -0.06 -1.26 -4.16 117.38 110.96 1by6 n GLN 70 Ca 0.11 0.00 0.31 0.00 -2.00 0.00 0.00 57.00 55.43 1by6 n GLN 70 Cb 0.41 0.00 0.59 0.00 -4.06 0.00 0.00 30.24 27.17 1by6 n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1by6 h VAL 71 N 0.00 0.22 -0.11 1.69 2.07 -1.73 2.10 116.25 120.50 1by6 h VAL 71 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1by6 h VAL 71 Cb 0.00 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1by6 h VAL 71 CO 0.00 0.03 0.00 -0.11 0.02 0.00 0.00 177.57 177.51 1by6 n LEU 72 N -4.78 0.88 -1.27 2.57 7.94 0.02 -3.65 117.00 118.71 1by6 n LEU 72 Ca 0.34 -0.39 -0.06 0.00 -1.11 0.00 0.00 56.01 54.79 1by6 n LEU 72 Cb 1.23 -0.07 0.20 0.00 0.53 0.00 0.00 43.42 45.31 1by6 n LEU 72 CO 0.18 0.19 0.74 -1.54 -1.11 0.00 0.00 177.39 175.86 1by6 n SER 73 N -0.16 2.56 -0.02 1.96 3.41 0.71 -4.55 113.62 117.53 1by6 n SER 73 Ca 0.13 -3.78 -0.02 0.00 -0.26 0.00 0.00 58.87 54.93 1by6 n SER 73 Cb 0.19 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 1by6 n SER 73 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1by6 n VAL 74 N -1.13 0.21 -0.32 -3.33 0.31 -1.24 -4.59 118.33 108.24 1by6 n VAL 74 Ca 0.36 -0.08 0.18 0.00 -0.01 0.00 0.00 64.34 64.79 1by6 n VAL 74 Cb 1.10 -0.64 0.36 0.00 -0.91 0.00 0.00 33.84 33.74 1by6 n VAL 74 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1by6 h LEU 75 N 0.00 -0.13 -0.34 7.52 7.12 -1.80 0.44 115.31 128.12 1by6 h LEU 75 Ca -0.08 0.25 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 1by6 h LEU 75 Cb 1.13 0.36 -0.02 0.00 -0.53 0.00 0.00 40.66 41.60 1by6 h LEU 75 CO -0.01 -0.30 0.18 0.11 -0.13 0.00 0.00 178.44 178.29 1by6 h LYS 76 N 0.08 0.47 0.00 1.25 1.79 -1.88 -3.48 116.57 114.81 1by6 h LYS 76 Ca 0.64 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1by6 h LYS 76 Cb 1.41 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1by6 h LYS 76 CO -0.79 0.39 0.00 0.41 -1.08 0.00 0.00 179.45 178.38 1by6 n GLY 77 N -0.97 3.28 2.21 3.86 0.00 0.15 -4.78 105.19 108.96 1by6 n GLY 77 Ca -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 1by6 n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1by6 n GLU 78 N 0.00 1.00 0.00 1.61 -0.58 -1.26 -4.95 120.64 116.46 1by6 n GLU 78 Ca 0.00 -1.82 0.00 0.00 -0.42 0.00 0.00 57.16 54.92 1by6 n GLU 78 Cb 0.00 -0.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.76 1by6 n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74