#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knx s SER 2 N 0.00 -0.09 0.47 1.61 1.04 -1.26 -5.02 113.70 110.45 2knx s SER 2 Ca 0.00 0.02 0.12 0.00 0.48 0.00 0.00 55.95 56.58 2knx s SER 2 Cb 0.00 0.09 1.08 0.00 0.10 0.00 0.00 66.02 67.29 2knx s SER 2 CO 0.00 -0.14 2.09 1.05 0.98 0.00 0.00 173.24 177.22 2knx h GLU 3 N 2.03 0.27 0.00 4.02 9.09 -2.10 -3.46 114.58 124.43 2knx h GLU 3 Ca -0.07 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.33 2knx h GLU 3 Cb 1.16 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 2knx h GLU 3 CO 0.22 0.18 0.00 0.41 0.05 0.00 0.00 179.01 179.86 2knx n GLY 4 N -1.52 3.57 3.57 1.06 0.00 -1.26 -4.99 105.19 105.63 2knx n GLY 4 Ca 0.02 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 2knx n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2knx s LYS 5 N -4.03 1.43 0.00 1.61 3.01 -1.26 -4.84 119.74 115.66 2knx s LYS 5 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 54.94 2knx s LYS 5 Cb 0.00 -4.90 0.00 0.00 -1.01 0.00 0.00 37.83 31.92 2knx s LYS 5 CO 0.00 -4.94 0.00 0.25 0.51 0.00 0.00 175.35 171.17 2knx n THR 6 N 8.87 0.00 -2.34 2.17 -2.24 -1.26 -3.66 114.28 115.82 2knx n THR 6 Ca 0.44 0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 62.26 2knx n THR 6 Cb 0.45 -1.20 0.02 0.00 -2.10 0.00 0.00 70.33 67.50 2knx n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2knx n GLY 8 N -0.32 -3.30 3.63 0.00 0.00 -1.26 -4.56 105.19 99.38 2knx n GLY 8 Ca 0.48 -1.11 -0.50 0.00 0.00 0.00 0.00 46.02 44.89 2knx n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2knx n PRO 9 N -0.65 1.76 -3.61 1.61 -0.04 -1.26 -2.26 135.00 130.55 2knx n PRO 9 Ca 0.00 0.61 -0.29 0.00 -0.04 0.00 0.00 63.50 63.78 2knx n PRO 9 Cb 0.00 -2.56 0.05 0.00 -0.04 0.00 0.00 33.50 30.95 2knx n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2knx n SER 10 N 7.49 -5.58 -4.95 3.54 3.41 -1.26 -4.59 113.62 111.67 2knx n SER 10 Ca 0.28 -0.96 -0.23 0.00 -0.26 0.00 0.00 58.87 57.70 2knx n SER 10 Cb 0.26 -3.64 -0.00 0.00 -0.26 0.00 0.00 64.21 60.57 2knx n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2knx s SER 11 N -3.43 6.12 0.05 4.04 0.01 -0.96 -3.99 113.70 115.54 2knx s SER 11 Ca 0.46 0.32 0.05 0.00 1.31 0.00 0.00 55.95 58.08 2knx s SER 11 Cb -0.15 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 2knx s SER 11 CO 0.84 -0.42 -0.06 0.12 0.41 0.00 0.00 173.24 174.14 2knx s PHE 12 N -2.36 2.88 -0.23 2.43 5.36 0.25 -4.95 117.98 121.37 2knx s PHE 12 Ca 0.43 -0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 56.28 2knx s PHE 12 Cb -0.10 -1.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.02 2knx s PHE 12 CO 0.36 0.41 0.00 -1.54 -1.46 0.00 0.00 175.22 172.99 2knx s SER 13 N -1.83 4.62 0.21 6.13 1.04 -1.26 0.11 113.70 122.71 2knx s SER 13 Ca 0.20 -0.32 -0.32 0.00 0.48 0.00 0.00 55.95 55.99 2knx s SER 13 Cb -0.11 -1.81 -0.12 0.00 0.10 0.00 0.00 66.02 64.07 2knx s SER 13 CO 0.12 -0.02 1.67 0.00 0.98 0.00 0.00 173.24 175.99 2knx s PRO 15 N 0.90 4.29 0.00 0.00 0.04 -1.26 -3.55 135.00 135.42 2knx s PRO 15 Ca 0.74 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2knx s PRO 15 Cb -0.54 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2knx s PRO 15 CO 0.35 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.68 2knx n GLY 16 N 0.81 2.48 3.66 0.56 0.00 -1.26 -4.86 105.19 106.59 2knx n GLY 16 Ca 0.02 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 2knx n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2knx s THR 17 N -0.46 2.13 -0.59 2.61 -1.32 -1.23 -5.04 115.64 111.75 2knx s THR 17 Ca 0.00 -1.89 -0.02 0.00 -1.21 0.00 0.00 61.69 58.57 2knx s THR 17 Cb 0.00 -2.99 0.36 0.00 -1.51 0.00 0.00 72.50 68.36 2knx s THR 17 CO 0.00 -0.01 2.07 0.00 -2.21 0.00 0.00 174.62 174.47 2knx n HIS 18 N -1.07 2.71 -3.66 9.09 1.44 -1.26 -4.57 115.22 117.89 2knx n HIS 18 Ca -0.03 -2.65 -0.39 0.00 -2.01 0.00 0.00 57.72 52.64 2knx n HIS 18 Cb 0.66 -1.30 -0.12 0.00 0.12 0.00 0.00 29.99 29.35 2knx n HIS 18 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2knx s VAL 19 N -4.09 4.43 0.64 0.61 0.11 -1.26 -5.02 120.40 115.81 2knx s VAL 19 Ca 0.55 -0.64 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 2knx s VAL 19 Cb 0.43 -3.34 -0.00 0.00 -1.53 0.00 0.00 36.38 31.94 2knx s VAL 19 CO -0.06 -0.03 1.00 0.00 -3.33 0.00 0.00 175.10 172.69 2knx s VAL 21 N -3.17 -0.41 0.66 0.00 0.11 0.29 -4.84 120.40 113.05 2knx s VAL 21 Ca 0.55 0.15 -0.13 0.00 -2.93 0.00 0.00 61.98 59.62 2knx s VAL 21 Cb -0.11 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2knx s VAL 21 CO 0.50 0.06 1.06 -2.16 -3.33 0.00 0.00 175.10 171.23 2knx s PRO 22 N 2.17 3.00 0.51 1.54 0.04 -1.20 0.86 135.00 141.92 2knx s PRO 22 Ca -0.04 1.09 0.24 0.00 0.04 0.00 0.00 61.00 62.33 2knx s PRO 22 Cb -0.11 -1.99 1.33 0.00 0.04 0.00 0.00 34.50 33.77 2knx s PRO 22 CO -0.13 -1.05 1.97 1.49 0.04 0.00 0.00 177.00 179.32 2knx h GLU 23 N -0.29 0.09 0.00 4.56 4.81 -1.81 0.52 114.58 122.46 2knx h GLU 23 Ca -0.45 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2knx h GLU 23 Cb 1.22 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2knx h GLU 23 CO 0.56 0.06 -0.16 0.07 -0.73 0.00 0.00 179.01 178.81 2knx h ARG 24 N 0.09 0.00 -0.61 1.92 0.11 -1.93 -2.24 114.38 111.72 2knx h ARG 24 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 2knx h ARG 24 Cb 1.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2knx h ARG 24 CO -0.03 0.16 0.00 0.91 0.10 0.00 0.00 179.97 181.11 2knx n TRP 25 N -3.37 0.81 -2.69 4.08 7.02 0.17 -4.82 117.44 118.65 2knx n TRP 25 Ca -0.00 -0.41 -0.43 0.00 -1.02 0.00 0.00 57.50 55.64 2knx n TRP 25 Cb 0.37 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.23 2knx n TRP 25 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2knx s LEU 26 N -1.16 3.99 -0.74 -0.99 2.01 -0.78 -4.27 118.68 116.74 2knx s LEU 26 Ca 0.45 1.07 -0.09 0.00 0.01 0.00 0.00 54.13 55.58 2knx s LEU 26 Cb 0.24 -3.48 0.01 0.00 0.01 0.00 0.00 46.19 42.98 2knx s LEU 26 CO 0.32 -0.79 0.62 0.00 1.01 0.00 0.00 176.35 177.51 2knx n ASP 28 N -2.08 1.34 0.00 0.00 9.92 -1.26 -4.95 116.55 119.52 2knx n ASP 28 Ca -0.26 -1.45 0.00 0.00 -0.53 0.00 0.00 54.79 52.55 2knx n ASP 28 Cb 0.69 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 2knx n ASP 28 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2knx n GLY 29 N -0.22 0.93 3.99 0.44 0.00 -1.26 -5.10 105.19 103.96 2knx n GLY 29 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2knx n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2knx s ASP 30 N -0.94 5.25 -0.58 1.61 1.01 -1.26 -5.07 116.67 116.69 2knx s ASP 30 Ca 0.00 -0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.07 2knx s ASP 30 Cb 0.00 -0.63 0.14 0.00 1.01 0.00 0.00 42.92 43.44 2knx s ASP 30 CO 0.00 -1.14 0.34 -0.54 0.21 0.00 0.00 175.17 174.04 2knx s LYS 31 N -4.70 2.19 0.14 8.23 1.02 -1.26 -4.73 119.74 120.64 2knx s LYS 31 Ca 0.58 -2.78 -0.03 0.00 0.02 0.00 0.00 55.97 53.77 2knx s LYS 31 Cb -0.09 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2knx s LYS 31 CO 0.38 -1.16 1.34 -0.44 -0.92 0.00 0.00 175.35 174.55 2knx h ASP 32 N 6.34 0.47 -3.46 2.83 3.32 -1.93 -3.45 116.42 120.54 2knx h ASP 32 Ca -0.02 -0.37 -0.54 0.00 0.02 0.00 0.00 57.03 56.13 2knx h ASP 32 Cb 0.87 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 2knx h ASP 32 CO 0.70 1.16 0.05 0.00 -1.72 0.00 0.00 179.24 179.43 2knx h ALA 34 N 3.64 3.14 0.00 0.00 0.00 -1.89 0.65 119.26 124.81 2knx h ALA 34 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2knx h ALA 34 Cb 1.20 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2knx h ALA 34 CO 0.65 -1.59 -0.32 -3.47 0.00 0.00 0.00 179.25 174.53 2knx n ASP 35 N -4.26 1.94 -2.31 0.00 2.03 -1.26 -4.96 116.55 107.73 2knx n ASP 35 Ca 0.32 -3.58 -0.15 0.00 0.52 0.00 0.00 54.79 51.90 2knx n ASP 35 Cb 1.42 -0.49 -0.01 0.00 -0.72 0.00 0.00 41.12 41.32 2knx n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2knx n GLY 36 N -1.22 -0.26 0.30 0.27 0.00 0.23 -4.83 105.19 99.67 2knx n GLY 36 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 2knx n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2knx h ALA 37 N 0.94 1.28 -0.27 4.61 0.00 -1.93 0.89 119.26 124.78 2knx h ALA 37 Ca -0.36 0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2knx h ALA 37 Cb 1.24 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2knx h ALA 37 CO 0.43 -0.42 0.21 0.38 0.00 0.00 0.00 179.25 179.86 2knx h ASP 38 N 0.27 0.00 -0.14 0.00 3.04 -1.92 0.39 116.42 118.06 2knx h ASP 38 Ca 0.53 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.32 2knx h ASP 38 Cb 1.04 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 2knx h ASP 38 CO -0.60 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 175.98 2knx n GLU 39 N -4.25 1.37 -4.53 4.15 -0.58 0.31 0.07 120.64 117.19 2knx n GLU 39 Ca 0.03 -0.58 -0.25 0.00 -0.42 0.00 0.00 57.16 55.95 2knx n GLU 39 Cb 0.37 -1.18 -0.09 0.00 -0.57 0.00 0.00 31.44 29.97 2knx n GLU 39 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2knx s SER 40 N -1.14 2.84 0.51 1.62 0.01 0.14 -4.86 113.70 112.82 2knx s SER 40 Ca 0.16 -1.60 0.33 0.00 1.31 0.00 0.00 55.95 56.14 2knx s SER 40 Cb 0.08 0.36 1.34 0.00 0.21 0.00 0.00 66.02 68.01 2knx s SER 40 CO 0.11 -0.84 1.96 0.40 0.41 0.00 0.00 173.24 175.28 2knx h ILE 41 N 1.82 0.00 -0.82 1.44 5.03 -1.89 -3.00 117.51 120.08 2knx h ILE 41 Ca -0.38 -0.45 0.18 0.00 -0.12 0.00 0.00 64.86 64.09 2knx h ILE 41 Cb 1.27 1.41 -0.06 0.00 -3.03 0.00 0.00 36.82 36.42 2knx h ILE 41 CO 0.62 0.00 0.55 0.00 -0.68 0.00 0.00 178.15 178.64 2knx h ALA 42 N 2.04 2.18 0.00 1.87 0.00 -1.95 0.14 119.26 123.55 2knx h ALA 42 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2knx h ALA 42 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2knx h ALA 42 CO 0.00 -0.43 -0.93 0.00 0.00 0.00 0.00 179.25 177.90 2knx h ALA 43 N 1.63 0.64 0.00 0.00 0.00 -1.58 -3.48 119.26 116.46 2knx h ALA 43 Ca 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2knx h ALA 43 Cb 1.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2knx h ALA 43 CO -0.14 0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2knx n GLY 44 N 1.25 1.92 0.40 0.00 0.00 0.50 -4.99 105.19 104.27 2knx n GLY 44 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2knx n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2knx n LEU 46 N -4.87 0.00 -0.30 0.00 4.77 -1.26 -4.59 117.00 110.75 2knx n LEU 46 Ca -0.10 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2knx n LEU 46 Cb 0.38 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.67 2knx n LEU 46 CO 0.22 0.00 0.80 1.88 -1.33 0.00 0.00 177.39 178.97 2knx h TYR 47 N 0.00 -0.08 -4.13 -1.77 0.05 -2.00 -3.47 116.97 105.56 2knx h TYR 47 Ca 0.00 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2knx h TYR 47 Cb 0.00 0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2knx h TYR 47 CO 0.00 -0.32 -0.89 -1.71 -1.05 0.00 0.00 178.16 174.19 2knx n ASN 48 N -5.42 -8.50 -3.71 3.88 2.85 -1.26 -5.03 115.26 98.08 2knx n ASN 48 Ca 0.17 1.30 -0.25 0.00 -0.11 0.00 0.00 54.58 55.69 2knx n ASN 48 Cb 0.58 -4.79 -0.17 0.00 1.24 0.00 0.00 39.78 36.63 2knx n ASN 48 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2knx s SER 49 N -0.48 2.22 0.00 1.20 0.01 -1.26 -5.24 113.70 110.14 2knx s SER 49 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2knx s SER 49 Cb 0.00 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2knx s SER 49 CO 0.00 -0.28 0.00 0.35 0.41 0.00 0.00 173.24 173.72