#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s PRO 37 N 0.00 3.38 0.51 7.34 0.04 -1.26 -0.11 135.00 144.89 3knm s PRO 37 Ca 0.00 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.34 3knm s PRO 37 Cb 0.00 -4.16 -0.00 0.00 0.04 0.00 0.00 34.50 30.37 3knm s PRO 37 CO 0.00 -1.81 0.02 0.00 0.04 0.00 0.00 177.00 175.26 3knm s ALA 38 N 6.59 4.08 -0.01 8.56 0.00 -0.51 -4.88 121.76 135.59 3knm s ALA 38 Ca 0.75 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3knm s ALA 38 Cb -0.20 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3knm s ALA 38 CO 0.33 -0.06 -0.01 1.03 0.00 0.00 0.00 175.76 177.05 3knm s ARG 39 N -3.86 0.19 -0.50 0.00 0.52 -1.24 -2.62 118.95 111.44 3knm s ARG 39 Ca 0.04 0.00 -0.15 0.00 -0.52 0.00 0.00 55.73 55.11 3knm s ARG 39 Cb 0.00 -0.27 0.11 0.00 0.52 0.00 0.00 34.95 35.30 3knm s ARG 39 CO 0.03 -0.04 0.43 0.42 0.02 0.00 0.00 175.30 176.16 3knm s ILE 40 N 0.41 5.04 -0.23 1.52 1.09 -0.94 -3.53 121.20 124.56 3knm s ILE 40 Ca -0.04 -1.37 -0.21 0.00 -1.10 0.00 0.00 60.65 57.93 3knm s ILE 40 Cb -0.06 -4.15 -0.02 0.00 -1.06 0.00 0.00 42.46 37.17 3knm s ILE 40 CO -0.01 -0.73 0.65 -0.63 -0.10 0.00 0.00 174.94 174.12 3knm s ILE 41 N 1.58 4.98 0.00 2.92 -1.09 0.72 -1.84 121.20 128.48 3knm s ILE 41 Ca 0.04 1.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 3knm s ILE 41 Cb -0.27 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 3knm s ILE 41 CO 0.04 0.05 0.00 0.00 -1.23 0.00 0.00 174.94 173.80 3knm h GLY 43 N 0.00 0.27 0.32 0.00 0.00 -1.73 -3.33 103.07 98.60 3knm h GLY 43 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3knm h GLY 43 CO 0.00 0.60 0.00 0.00 0.00 0.00 0.00 176.54 177.14 3knm n GLY 45 N -0.58 1.64 3.76 0.00 0.00 -1.25 -4.97 105.19 103.79 3knm n GLY 45 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3knm n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3knm s ASN 46 N -3.20 7.55 0.10 1.61 3.04 -1.26 -4.94 114.94 117.83 3knm s ASN 46 Ca 0.00 1.83 0.08 0.00 0.04 0.00 0.00 52.86 54.81 3knm s ASN 46 Cb 0.00 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.10 3knm s ASN 46 CO 0.00 0.16 -0.14 -0.69 -3.04 0.00 0.00 177.10 173.39 3knm s VAL 47 N -1.05 3.11 0.03 -5.21 1.01 -1.26 -2.62 120.40 114.41 3knm s VAL 47 Ca 0.40 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 61.10 3knm s VAL 47 Cb -0.25 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3knm s VAL 47 CO 0.30 0.13 -0.23 -0.63 0.00 0.00 0.00 175.10 174.67 3knm s ILE 48 N -1.16 1.82 -0.44 2.22 1.01 -0.76 -4.91 121.20 118.97 3knm s ILE 48 Ca 0.19 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 3knm s ILE 48 Cb -0.11 -1.56 0.11 0.00 0.01 0.00 0.00 42.46 40.92 3knm s ILE 48 CO 0.11 0.32 0.28 -0.70 0.00 0.00 0.00 174.94 174.96 3knm s GLU 49 N -1.03 2.29 0.00 2.79 2.56 -1.26 -2.21 118.70 121.84 3knm s GLU 49 Ca 0.09 -1.76 0.00 0.00 0.00 0.00 0.00 54.97 53.30 3knm s GLU 49 Cb -0.09 -3.77 0.00 0.00 2.00 0.00 0.00 34.13 32.27 3knm s GLU 49 CO 0.01 -1.12 0.00 0.25 -0.56 0.00 0.00 175.26 173.84 3knm n THR 50 N 4.78 0.00 -3.88 -1.70 -2.24 -1.08 -5.07 114.28 105.09 3knm n THR 50 Ca -0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 3knm n THR 50 Cb 0.41 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 3knm n THR 50 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3knm s TYR 51 N -0.65 0.14 -0.13 4.78 1.51 -1.26 -1.43 117.35 120.31 3knm s TYR 51 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 3knm s TYR 51 Cb 0.00 -0.08 0.00 0.00 -0.11 0.00 0.00 41.96 41.77 3knm s TYR 51 CO 0.00 -0.44 0.00 -1.13 -1.11 0.00 0.00 175.55 172.87 3knm n SER 52 N 0.49 0.00 -4.85 2.29 3.41 0.84 -4.78 113.62 111.02 3knm n SER 52 Ca -0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.07 3knm n SER 52 Cb 0.60 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 3knm n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3knm s THR 53 N -3.05 5.10 0.09 6.66 2.01 -1.26 -1.72 115.64 123.47 3knm s THR 53 Ca 0.00 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.63 3knm s THR 53 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.85 3knm s THR 53 CO 0.00 0.48 0.00 2.29 -0.69 0.00 0.00 174.62 176.70 3knm n LYS 54 N 1.50 -4.10 0.00 4.92 2.85 -1.26 -4.82 118.16 117.26 3knm n LYS 54 Ca -0.12 2.92 0.06 0.00 -1.05 0.00 0.00 58.31 60.12 3knm n LYS 54 Cb 0.53 -3.53 0.30 0.00 -0.65 0.00 0.00 35.03 31.68 3knm n LYS 54 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3knm n PRO 55 N 1.88 0.18 -3.30 -1.58 -0.02 -1.26 -4.73 135.00 126.17 3knm n PRO 55 Ca 0.00 0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 3knm n PRO 55 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 3knm n PRO 55 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3knm s GLU 56 N -2.54 4.13 -0.28 -0.52 2.12 -1.26 -3.59 118.70 116.76 3knm s GLU 56 Ca 0.12 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.74 3knm s GLU 56 Cb 0.08 -3.60 0.15 0.00 0.26 0.00 0.00 34.13 31.03 3knm s GLU 56 CO 0.18 -0.20 0.41 0.42 -0.54 0.00 0.00 175.26 175.52 3knm s ILE 57 N 1.83 -0.64 -0.26 -3.70 -1.09 -1.23 -5.02 121.20 111.08 3knm s ILE 57 Ca 0.21 -0.22 -0.10 0.00 -2.23 0.00 0.00 60.65 58.31 3knm s ILE 57 Cb -0.15 -0.94 -0.05 0.00 -1.58 0.00 0.00 42.46 39.74 3knm s ILE 57 CO 0.09 -0.23 0.16 -0.31 -1.23 0.00 0.00 174.94 173.42 3knm s TYR 58 N 2.56 3.22 -0.12 3.97 4.12 -1.18 0.26 117.35 130.18 3knm s TYR 58 Ca 0.11 0.07 0.00 0.00 0.02 0.00 0.00 57.07 57.27 3knm s TYR 58 Cb -0.13 -2.32 -0.02 0.00 -1.52 0.00 0.00 41.96 37.97 3knm s TYR 58 CO -0.26 -0.12 -0.13 0.08 0.02 0.00 0.00 175.55 175.14 3knm s VAL 59 N 1.51 3.08 -0.96 0.71 1.01 0.18 -4.93 120.40 121.00 3knm s VAL 59 Ca 0.07 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 3knm s VAL 59 Cb -0.15 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.85 3knm s VAL 59 CO 0.08 0.53 2.04 1.21 0.00 0.00 0.00 175.10 178.96 3knm n GLU 60 N 3.37 1.92 0.00 2.72 4.07 -1.26 -2.14 120.64 129.33 3knm n GLU 60 Ca -0.18 -1.97 0.00 0.00 -0.06 0.00 0.00 57.16 54.95 3knm n GLU 60 Cb 0.53 -2.94 0.00 0.00 -0.06 0.00 0.00 31.44 28.97 3knm n GLU 60 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3knm n VAL 61 N 5.53 -0.22 -3.75 6.31 0.31 -1.26 -4.96 118.33 120.28 3knm n VAL 61 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 3knm n VAL 61 Cb 0.37 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3knm n VAL 61 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knm n SER 63 N -1.32 0.31 -2.95 0.00 3.41 -1.26 -3.06 113.62 108.75 3knm n SER 63 Ca 0.00 -1.30 -0.29 0.00 -0.26 0.00 0.00 58.87 57.02 3knm n SER 63 Cb 0.00 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3knm n SER 63 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3knm n LYS 64 N -0.18 3.51 0.00 4.33 3.00 -1.26 -4.95 118.16 122.61 3knm n LYS 64 Ca 0.00 -4.76 0.00 0.00 -0.00 0.00 0.00 58.31 53.55 3knm n LYS 64 Cb 0.08 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 32.84 3knm n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knm n HIS 66 N -1.33 0.00 -3.18 0.00 -0.00 -1.26 -4.77 115.22 104.68 3knm n HIS 66 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 3knm n HIS 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3knm n HIS 66 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3knm n PRO 67 N 0.00 3.71 0.00 1.57 -0.05 -1.26 -4.67 135.00 134.30 3knm n PRO 67 Ca 0.00 -4.36 0.00 0.00 -0.05 0.00 0.00 63.50 59.09 3knm n PRO 67 Cb 0.00 -2.63 0.00 0.00 -0.05 0.00 0.00 33.50 30.82 3knm n PRO 67 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3knm n PHE 68 N 2.87 -0.24 0.00 0.54 3.72 -1.26 -5.17 117.46 117.91 3knm n PHE 68 Ca 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 3knm n PHE 68 Cb 0.38 0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3knm n PHE 68 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3knm n TYR 69 N -1.10 0.00 -0.07 1.38 4.01 -1.26 -5.24 117.16 114.87 3knm n TYR 69 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3knm n TYR 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3knm n TYR 69 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3knm n GLN 71 N 0.00 0.81 -1.84 -0.72 3.00 -1.26 -5.07 117.38 112.30 3knm n GLN 71 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 3knm n GLN 71 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 3knm n GLN 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3knm s GLN 72 N -0.32 2.11 -1.05 -1.09 -1.52 -1.26 -4.87 119.66 111.67 3knm s GLN 72 Ca 0.00 -0.04 -0.24 0.00 -1.95 0.00 0.00 55.36 53.13 3knm s GLN 72 Cb 0.00 -4.96 -0.11 0.00 -0.22 0.00 0.00 33.01 27.72 3knm s GLN 72 CO 0.00 -3.93 2.02 1.03 -0.25 0.00 0.00 175.29 174.16 3knm s ARG 73 N 7.78 2.19 0.00 2.91 0.52 -1.26 -4.73 118.95 126.36 3knm s ARG 73 Ca 0.79 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 3knm s ARG 73 Cb -0.09 -5.10 0.00 0.00 0.52 0.00 0.00 34.95 30.28 3knm s ARG 73 CO 0.04 -4.13 0.00 1.19 0.02 0.00 0.00 175.30 172.42 3knm n PHE 74 N 15.62 0.00 0.00 -0.53 3.72 -1.26 -5.16 117.46 129.85 3knm n PHE 74 Ca 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 3knm n PHE 74 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3knm n PHE 74 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3knm n VAL 75 N 3.91 0.00 0.00 -4.37 0.24 -1.26 -5.13 118.33 111.72 3knm n VAL 75 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3knm n VAL 75 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3knm n VAL 75 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3knm n ASP 76 N 0.00 0.00 0.00 -1.34 3.85 -1.26 -4.92 116.55 112.88 3knm n ASP 76 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3knm n ASP 76 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3knm n ASP 76 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3knm n THR 77 N 0.00 0.00 -0.45 2.12 -2.24 -1.26 -3.95 114.28 108.51 3knm n THR 77 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3knm n THR 77 Cb 0.00 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3knm n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knm n GLU 78 N -2.78 -1.77 -1.13 -0.78 -0.58 -1.26 -4.88 120.64 107.47 3knm n GLU 78 Ca 0.00 0.15 -0.29 0.00 -0.42 0.00 0.00 57.16 56.59 3knm n GLU 78 Cb 0.02 -3.37 0.21 0.00 -0.57 0.00 0.00 31.44 27.74 3knm n GLU 78 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3knm s GLY 79 N -0.67 1.57 0.00 0.62 0.00 -1.25 -4.97 107.32 102.62 3knm s GLY 79 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.09 3knm s GLY 79 CO 0.00 0.11 0.00 -0.96 0.00 0.00 0.00 173.10 172.25 3knm n ARG 80 N -4.45 0.00 0.00 2.90 1.85 -1.26 -5.09 116.66 110.60 3knm n ARG 80 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 3knm n ARG 80 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 3knm n ARG 80 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3knm n VAL 81 N 0.00 0.00 0.00 8.89 0.31 -1.26 -5.16 118.33 121.11 3knm n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knm n VAL 81 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knm n VAL 81 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3knm n GLU 82 N 0.00 0.00 0.00 5.55 2.13 -1.26 -5.12 120.64 121.94 3knm n GLU 82 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3knm n GLU 82 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3knm n GLU 82 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3knm n ARG 83 N -0.62 0.00 -0.82 5.31 5.12 -1.26 -5.13 116.66 119.26 3knm n ARG 83 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 3knm n ARG 83 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 3knm n ARG 83 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3knm n PHE 84 N 0.00 0.65 0.00 -1.55 1.16 -1.26 -5.39 117.46 111.07 3knm n PHE 84 Ca 0.00 0.43 0.00 0.00 -1.87 0.00 0.00 57.45 56.01 3knm n PHE 84 Cb 0.00 -1.45 0.00 0.00 -1.61 0.00 0.00 39.48 36.42 3knm n PHE 84 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83