#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s PRO 37 N 0.00 4.26 0.05 7.34 0.04 -1.26 0.60 135.00 146.03 3kno s PRO 37 Ca 0.00 2.25 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 3kno s PRO 37 Cb 0.00 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3kno s PRO 37 CO 0.00 -0.50 0.01 0.00 0.04 0.00 0.00 177.00 176.55 3kno s ALA 38 N 0.85 0.34 0.29 8.56 0.00 0.33 -4.54 121.76 127.59 3kno s ALA 38 Ca 0.66 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3kno s ALA 38 Cb -0.41 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3kno s ALA 38 CO 0.34 -0.37 0.44 1.03 0.00 0.00 0.00 175.76 177.19 3kno s ARG 39 N -3.67 3.38 -0.37 0.00 0.52 -1.08 -1.37 118.95 116.36 3kno s ARG 39 Ca 0.04 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 3kno s ARG 39 Cb 0.06 -2.81 0.11 0.00 0.52 0.00 0.00 34.95 32.83 3kno s ARG 39 CO -0.09 0.27 0.15 0.42 0.02 0.00 0.00 175.30 176.06 3kno s ILE 40 N -2.12 1.33 -1.07 1.52 1.09 0.44 -2.98 121.20 119.41 3kno s ILE 40 Ca 0.38 -2.03 -0.21 0.00 -1.10 0.00 0.00 60.65 57.68 3kno s ILE 40 Cb -0.09 -1.97 0.06 0.00 -1.06 0.00 0.00 42.46 39.40 3kno s ILE 40 CO 0.31 -0.75 1.48 -0.63 -0.10 0.00 0.00 174.94 175.25 3kno s ILE 41 N 0.98 4.06 0.18 2.92 -1.09 0.69 -3.59 121.20 125.34 3kno s ILE 41 Ca 0.13 -1.11 -0.19 0.00 -2.23 0.00 0.00 60.65 57.26 3kno s ILE 41 Cb -0.21 -5.06 -0.08 0.00 -1.58 0.00 0.00 42.46 35.54 3kno s ILE 41 CO -0.12 -1.91 0.67 0.00 -1.23 0.00 0.00 174.94 172.34 3kno h GLY 43 N 3.67 1.43 -1.17 0.00 0.00 -1.24 -0.69 103.07 105.07 3kno h GLY 43 Ca -0.48 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3kno h GLY 43 CO 0.65 0.09 0.00 0.00 0.00 0.00 0.00 176.54 177.28 3kno n GLY 45 N 0.49 0.93 2.61 0.00 0.00 -0.27 -4.89 105.19 104.07 3kno n GLY 45 Ca 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 46.02 45.52 3kno n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kno n ASN 46 N 2.31 0.64 -3.96 1.61 4.05 -1.26 -4.47 115.26 114.19 3kno n ASN 46 Ca 0.00 0.59 -0.29 0.00 0.45 0.00 0.00 54.58 55.33 3kno n ASN 46 Cb 0.00 -0.71 -0.17 0.00 1.23 0.00 0.00 39.78 40.14 3kno n ASN 46 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3kno s VAL 47 N 4.43 1.33 0.47 3.44 1.01 -1.26 -3.48 120.40 126.34 3kno s VAL 47 Ca 0.93 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.41 3kno s VAL 47 Cb -1.18 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 3kno s VAL 47 CO 0.54 0.34 0.35 0.27 0.00 0.00 0.00 175.10 176.59 3kno s ILE 48 N 1.57 2.15 -0.24 2.22 -5.25 -1.24 -4.87 121.20 115.54 3kno s ILE 48 Ca 0.03 -1.48 -0.04 0.00 -0.99 0.00 0.00 60.65 58.17 3kno s ILE 48 Cb -0.14 -2.63 0.09 0.00 2.95 0.00 0.00 42.46 42.73 3kno s ILE 48 CO -0.09 0.00 0.16 -0.70 -1.79 0.00 0.00 174.94 172.52 3kno s GLU 49 N -4.15 0.17 0.00 0.37 2.12 -1.26 -0.42 118.70 115.54 3kno s GLU 49 Ca 0.41 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.52 3kno s GLU 49 Cb -0.01 -1.30 0.00 0.00 0.26 0.00 0.00 34.13 33.08 3kno s GLU 49 CO 0.24 -0.85 0.00 0.25 -0.54 0.00 0.00 175.26 174.36 3kno n THR 50 N 5.28 0.00 -4.19 -1.70 -2.24 -0.47 -4.83 114.28 106.13 3kno n THR 50 Ca -0.06 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 3kno n THR 50 Cb 0.46 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 3kno n THR 50 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kno s TYR 51 N 3.72 0.99 0.00 4.78 1.51 -1.26 0.12 117.35 127.21 3kno s TYR 51 Ca 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 57.07 55.11 3kno s TYR 51 Cb 0.00 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.28 3kno s TYR 51 CO 0.00 -0.17 0.00 -1.13 -1.11 0.00 0.00 175.55 173.14 3kno n SER 52 N -0.10 0.00 -4.14 2.29 3.41 0.20 -4.85 113.62 110.42 3kno n SER 52 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 3kno n SER 52 Cb 0.61 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 3kno n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kno s THR 53 N 0.00 0.81 0.00 6.66 -4.23 -1.26 -1.74 115.64 115.89 3kno s THR 53 Ca 0.00 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3kno s THR 53 Cb 0.00 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.67 3kno s THR 53 CO 0.00 -0.52 0.00 2.29 -0.54 0.00 0.00 174.62 175.85 3kno n LYS 54 N 0.80 -0.11 0.00 3.99 2.85 -1.26 -4.67 118.16 119.76 3kno n LYS 54 Ca -0.18 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 3kno n LYS 54 Cb 0.57 -0.45 0.00 0.00 -0.65 0.00 0.00 35.03 34.50 3kno n LYS 54 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3kno n PRO 55 N 1.96 0.11 -3.33 -1.58 -0.02 -1.26 -4.45 135.00 126.43 3kno n PRO 55 Ca 0.00 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.01 3kno n PRO 55 Cb 0.00 -1.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 3kno n PRO 55 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kno s GLU 56 N -1.83 3.65 -0.17 -0.52 2.12 -1.26 -2.63 118.70 118.06 3kno s GLU 56 Ca 0.00 -2.51 -0.02 0.00 0.36 0.00 0.00 54.97 52.80 3kno s GLU 56 Cb 0.00 -4.44 -0.01 0.00 0.26 0.00 0.00 34.13 29.94 3kno s GLU 56 CO 0.00 -1.29 -0.09 0.42 -0.54 0.00 0.00 175.26 173.76 3kno s ILE 57 N 0.08 3.21 -0.44 -3.70 -1.09 -1.16 -5.01 121.20 113.10 3kno s ILE 57 Ca 0.19 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 58.06 3kno s ILE 57 Cb -0.10 -2.40 0.12 0.00 -1.58 0.00 0.00 42.46 38.49 3kno s ILE 57 CO -0.09 0.48 0.17 -0.31 -1.23 0.00 0.00 174.94 173.96 3kno s TYR 58 N 0.86 3.49 -0.09 3.97 4.12 -1.26 0.25 117.35 128.69 3kno s TYR 58 Ca -0.03 -3.02 -0.29 0.00 0.02 0.00 0.00 57.07 53.76 3kno s TYR 58 Cb -0.15 -2.92 -0.02 0.00 -1.52 0.00 0.00 41.96 37.35 3kno s TYR 58 CO 0.01 -0.86 0.96 0.08 0.02 0.00 0.00 175.55 175.76 3kno s VAL 59 N 0.36 4.83 -1.23 0.71 1.01 0.39 -4.92 120.40 121.54 3kno s VAL 59 Ca 0.14 1.96 -0.06 0.00 0.00 0.00 0.00 61.98 64.01 3kno s VAL 59 Cb -0.22 -4.28 0.19 0.00 0.00 0.00 0.00 36.38 32.07 3kno s VAL 59 CO -0.04 0.05 1.97 -0.62 0.00 0.00 0.00 175.10 176.46 3kno n GLU 60 N 4.75 4.27 -0.61 2.72 4.71 -1.26 -0.71 120.64 134.51 3kno n GLU 60 Ca 0.07 -3.80 0.00 0.00 -0.01 0.00 0.00 57.16 53.42 3kno n GLU 60 Cb 0.49 -2.71 0.00 0.00 -1.01 0.00 0.00 31.44 28.21 3kno n GLU 60 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kno n VAL 61 N 2.12 -0.81 -0.47 2.62 0.31 -1.26 -5.01 118.33 115.83 3kno n VAL 61 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 3kno n VAL 61 Cb 0.31 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 3kno n VAL 61 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kno n SER 63 N 0.00 2.40 -2.91 0.00 3.41 -1.26 -3.64 113.62 111.62 3kno n SER 63 Ca 0.00 -1.52 -0.12 0.00 -0.26 0.00 0.00 58.87 56.97 3kno n SER 63 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 3kno n SER 63 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3kno n LYS 64 N 0.78 0.64 0.00 4.33 3.00 -1.26 -4.96 118.16 120.69 3kno n LYS 64 Ca 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 58.31 56.06 3kno n LYS 64 Cb 0.36 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 33.95 3kno n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kno n HIS 66 N 0.00 -0.00 -1.71 0.00 -0.00 -1.26 -4.77 115.22 107.48 3kno n HIS 66 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 3kno n HIS 66 Cb 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 3kno n HIS 66 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3kno n PRO 67 N -0.55 4.10 0.00 1.57 -0.02 -1.26 -4.45 135.00 134.39 3kno n PRO 67 Ca 0.00 -2.91 0.00 0.00 -2.02 0.00 0.00 63.50 58.57 3kno n PRO 67 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 3kno n PRO 67 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kno n PHE 68 N 2.30 -0.07 0.00 6.00 3.72 -1.26 -5.17 117.46 122.97 3kno n PHE 68 Ca 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 58.06 3kno n PHE 68 Cb 0.28 0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 3kno n PHE 68 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kno n TYR 69 N -1.31 0.00 -2.53 1.38 4.01 -1.26 -5.21 117.16 112.24 3kno n TYR 69 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kno n TYR 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3kno n TYR 69 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kno n GLN 71 N 0.00 1.55 -1.31 -0.72 3.00 -1.26 -5.14 117.38 113.50 3kno n GLN 71 Ca 0.00 0.00 -0.60 0.00 -0.01 0.00 0.00 57.00 56.39 3kno n GLN 71 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 3kno n GLN 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kno n GLN 72 N -0.68 0.00 -1.17 -1.09 -0.00 -1.26 -4.82 117.38 108.37 3kno n GLN 72 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.84 3kno n GLN 72 Cb 0.00 -1.46 0.15 0.00 -0.00 0.00 0.00 30.24 28.92 3kno n GLN 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3kno n ARG 73 N 6.70 2.33 0.00 2.61 1.74 -1.26 -4.98 116.66 123.80 3kno n ARG 73 Ca 0.49 -3.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.24 3kno n ARG 73 Cb -0.04 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 3kno n ARG 73 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kno n PHE 74 N -1.03 0.00 -1.75 -1.55 3.72 -1.26 -5.03 117.46 110.56 3kno n PHE 74 Ca 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.84 3kno n PHE 74 Cb 1.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 3kno n PHE 74 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3kno n VAL 75 N 0.00 -3.30 -3.68 -4.37 3.14 -1.26 -5.08 118.33 103.79 3kno n VAL 75 Ca 0.00 0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 3kno n VAL 75 Cb 0.00 -4.44 0.00 0.00 -1.06 0.00 0.00 33.84 28.34 3kno n VAL 75 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3kno n ASP 76 N -0.66 0.00 -2.75 6.55 5.75 -1.26 -5.13 116.55 119.04 3kno n ASP 76 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.78 3kno n ASP 76 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3kno n ASP 76 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3kno n THR 77 N 7.15-11.78 -1.09 2.12 -2.24 -1.26 -4.65 114.28 102.53 3kno n THR 77 Ca 0.00 1.69 -0.04 0.00 -2.27 0.00 0.00 64.05 63.43 3kno n THR 77 Cb 0.00 -6.94 -0.04 0.00 -2.10 0.00 0.00 70.33 61.25 3kno n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kno n GLU 78 N 0.56 0.00 -4.38 -0.78 -0.58 -1.26 -4.84 120.64 109.36 3kno n GLU 78 Ca 0.02 -0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 3kno n GLU 78 Cb 0.08 -1.02 -0.10 0.00 -0.57 0.00 0.00 31.44 29.83 3kno n GLU 78 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3kno s GLY 79 N 0.06 1.63 0.00 0.62 0.00 -1.26 -5.11 107.32 103.26 3kno s GLY 79 Ca 0.23 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3kno s GLY 79 CO 0.10 -1.78 0.00 -0.96 0.00 0.00 0.00 173.10 170.46 3kno n ARG 80 N -0.48 0.00 0.00 2.90 1.85 -1.26 -5.14 116.66 114.53 3kno n ARG 80 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 3kno n ARG 80 Cb 0.62 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 3kno n ARG 80 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3kno n VAL 81 N 0.00 0.00 0.00 8.89 0.31 -1.26 -5.12 118.33 121.15 3kno n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kno n VAL 81 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3kno n VAL 81 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kno n GLU 82 N 0.00 0.00 0.00 5.55 2.13 -1.26 -5.17 120.64 121.89 3kno n GLU 82 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3kno n GLU 82 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3kno n GLU 82 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kno n ARG 83 N -0.97 0.00 -0.60 5.31 5.12 -1.26 -5.14 116.66 119.12 3kno n ARG 83 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3kno n ARG 83 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3kno n ARG 83 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3kno n PHE 84 N 0.00 0.00 0.00 -1.55 1.16 -1.26 -5.35 117.46 110.46 3kno n PHE 84 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3kno n PHE 84 Cb 0.00 -0.29 0.00 0.00 -1.61 0.00 0.00 39.48 37.58 3kno n PHE 84 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83