#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knx n SER 2 N 0.00 0.00 -0.97 1.61 3.41 -1.26 -5.03 113.62 111.38 2knx n SER 2 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 2knx n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2knx n SER 2 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2knx n GLU 3 N -1.78 0.00 0.00 4.33 0.28 -1.26 -5.02 120.64 117.19 2knx n GLU 3 Ca 0.00 -0.95 0.00 0.00 -0.16 0.00 0.00 57.16 56.05 2knx n GLU 3 Cb 0.00 0.49 0.00 0.00 1.43 0.00 0.00 31.44 33.36 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2knx n GLY 4 N 0.00 0.23 0.18 -1.84 0.00 -1.26 -4.77 105.19 97.73 2knx n GLY 4 Ca -0.27 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 2knx n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2knx n LYS 5 N 0.00 0.43 0.13 1.61 4.76 -1.26 -4.09 118.16 119.75 2knx n LYS 5 Ca 0.00 0.17 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 2knx n LYS 5 Cb 0.00 -1.26 -0.08 0.00 -1.84 0.00 0.00 35.03 31.85 2knx n LYS 5 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2knx h THR 6 N -0.82 0.80 -0.85 -0.18 1.35 -1.99 -3.42 112.91 107.80 2knx h THR 6 Ca 0.00 -0.63 -0.36 0.00 -0.55 0.00 0.00 66.41 64.87 2knx h THR 6 Cb 0.82 1.14 -0.25 0.00 -1.73 0.00 0.00 68.15 68.13 2knx h THR 6 CO 0.00 0.13 -0.75 0.00 -0.25 0.00 0.00 175.52 174.65 2knx n GLY 8 N 1.45 -3.31 3.76 0.00 0.00 -1.26 -4.66 105.19 101.17 2knx n GLY 8 Ca 0.14 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.09 2.67 -3.48 1.61 -0.04 -1.26 -2.84 135.00 131.57 2knx n PRO 9 Ca 0.00 0.94 -0.19 0.00 -0.04 0.00 0.00 63.50 64.21 2knx n PRO 9 Cb 0.00 -2.68 0.09 0.00 -0.04 0.00 0.00 33.50 30.86 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 1.02 -3.44 -4.76 3.54 3.41 -1.26 -4.50 113.62 107.63 2knx n SER 10 Ca 0.04 -0.59 -0.39 0.00 -0.26 0.00 0.00 58.87 57.66 2knx n SER 10 Cb 0.38 -5.10 -0.06 0.00 -0.26 0.00 0.00 64.21 59.17 2knx n SER 10 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2knx s SER 11 N -4.03 7.51 0.29 4.04 0.15 -1.13 -3.59 113.70 116.95 2knx s SER 11 Ca 0.19 1.83 -0.08 0.00 0.70 0.00 0.00 55.95 58.59 2knx s SER 11 Cb -0.08 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 2knx s SER 11 CO 0.73 0.14 0.59 0.12 1.20 0.00 0.00 173.24 176.02 2knx s PHE 12 N -1.25 3.45 -0.18 3.44 5.36 0.21 -4.82 117.98 124.20 2knx s PHE 12 Ca 0.41 0.80 -0.03 0.00 -0.96 0.00 0.00 56.93 57.15 2knx s PHE 12 Cb -0.24 -2.23 -0.02 0.00 -0.34 0.00 0.00 43.02 40.20 2knx s PHE 12 CO 0.29 0.16 -0.05 0.45 -1.46 0.00 0.00 175.22 174.60 2knx s SER 13 N -2.86 4.46 0.32 6.13 0.15 -1.26 0.11 113.70 120.76 2knx s SER 13 Ca 0.47 -0.27 -0.28 0.00 0.70 0.00 0.00 55.95 56.56 2knx s SER 13 Cb -0.11 -1.74 -0.10 0.00 -1.71 0.00 0.00 66.02 62.37 2knx s SER 13 CO 0.27 0.08 1.17 0.00 1.20 0.00 0.00 173.24 175.96 2knx s PRO 15 N -1.74 4.66 -0.11 0.00 0.04 -1.26 -3.68 135.00 132.91 2knx s PRO 15 Ca 0.48 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 2knx s PRO 15 Cb -0.34 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2knx s PRO 15 CO 0.43 0.19 0.01 0.41 0.04 0.00 0.00 177.00 178.08 2knx n GLY 16 N 1.96 0.40 0.00 0.56 0.00 -1.26 -4.81 105.19 102.04 2knx n GLY 16 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2knx n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2knx n THR 17 N -3.80 0.00 -1.27 2.61 5.66 -1.24 -5.03 114.28 111.21 2knx n THR 17 Ca -0.01 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.67 2knx n THR 17 Cb 0.51 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.36 2knx n THR 17 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2knx n HIS 18 N -0.03 2.97 -4.63 1.09 8.25 -1.26 -4.60 115.22 117.00 2knx n HIS 18 Ca 0.00 -2.86 -0.33 0.00 -0.26 0.00 0.00 57.72 54.26 2knx n HIS 18 Cb 0.00 -1.38 -0.12 0.00 1.12 0.00 0.00 29.99 29.61 2knx n HIS 18 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2knx s VAL 19 N -4.43 3.55 0.20 1.59 0.11 -1.26 -5.02 120.40 115.14 2knx s VAL 19 Ca 0.60 -0.51 0.10 0.00 -2.93 0.00 0.00 61.98 59.23 2knx s VAL 19 Cb 0.47 -2.48 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 2knx s VAL 19 CO -0.01 0.56 -0.20 0.00 -3.33 0.00 0.00 175.10 172.11 2knx s VAL 21 N -2.14 0.53 0.63 0.00 0.11 0.31 -4.66 120.40 115.18 2knx s VAL 21 Ca 0.21 -0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 58.89 2knx s VAL 21 Cb -0.06 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 2knx s VAL 21 CO 0.09 0.20 1.24 -2.84 -3.33 0.00 0.00 175.10 170.46 2knx s PRO 22 N 0.50 2.73 0.50 1.54 0.02 -1.26 0.68 135.00 139.72 2knx s PRO 22 Ca -0.06 1.89 0.25 0.00 0.02 0.00 0.00 61.00 63.10 2knx s PRO 22 Cb -0.10 -1.89 1.33 0.00 0.02 0.00 0.00 34.50 33.86 2knx s PRO 22 CO 0.00 -1.41 1.93 1.49 -0.33 0.00 0.00 177.00 178.68 2knx h GLU 23 N 0.63 0.12 0.00 5.54 4.22 -1.79 0.65 114.58 123.95 2knx h GLU 23 Ca -0.50 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 58.84 2knx h GLU 23 Cb 1.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2knx h GLU 23 CO 0.54 0.08 -0.41 -0.09 -2.18 0.00 0.00 179.01 176.94 2knx h ARG 24 N 0.12 0.00 -0.29 1.92 2.43 -1.92 -2.45 114.38 114.19 2knx h ARG 24 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2knx h ARG 24 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2knx h ARG 24 CO -0.05 0.41 0.00 0.91 -1.51 0.00 0.00 179.97 179.73 2knx n TRP 25 N -3.78 0.37 -2.48 2.20 7.02 0.22 -4.80 117.44 116.18 2knx n TRP 25 Ca -0.01 -0.19 -0.43 0.00 -1.02 0.00 0.00 57.50 55.85 2knx n TRP 25 Cb 0.48 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.35 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 -1.51 4.08 -0.83 -0.99 2.01 -0.50 -4.14 118.68 116.79 2knx s LEU 26 Ca 0.35 1.47 -0.03 0.00 0.01 0.00 0.00 54.13 55.94 2knx s LEU 26 Cb 0.20 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.87 2knx s LEU 26 CO 0.29 -0.83 0.59 0.00 1.01 0.00 0.00 176.35 177.40 2knx n ASP 28 N -2.49 1.65 0.00 0.00 8.00 -1.26 -4.98 116.55 117.46 2knx n ASP 28 Ca -0.30 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2knx n ASP 28 Cb 0.66 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.82 2knx n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2knx n GLY 29 N 1.53 1.73 3.11 0.44 0.00 -1.26 -5.11 105.19 105.63 2knx n GLY 29 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 -0.99 -0.82 1.61 1.11 -1.26 -5.09 116.67 109.23 2knx s ASP 30 Ca 0.00 -0.77 -0.22 0.00 0.18 0.00 0.00 52.55 51.74 2knx s ASP 30 Cb 0.00 1.69 -0.19 0.00 1.07 0.00 0.00 42.92 45.49 2knx s ASP 30 CO 0.00 -0.21 2.37 0.29 1.18 0.00 0.00 175.17 178.79 2knx n LYS 31 N 4.57 0.43 -0.04 8.23 5.02 -1.26 -4.67 118.16 130.44 2knx n LYS 31 Ca 0.10 -0.45 -0.10 0.00 -2.02 0.00 0.00 58.31 55.84 2knx n LYS 31 Cb 0.54 -2.78 -0.14 0.00 -0.02 0.00 0.00 35.03 32.62 2knx n LYS 31 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2knx n ASP 32 N 14.23 0.75 -3.07 4.39 8.00 -1.26 -4.88 116.55 134.71 2knx n ASP 32 Ca 0.53 0.29 -0.15 0.00 0.71 0.00 0.00 54.79 56.16 2knx n ASP 32 Cb 0.34 0.15 0.14 0.00 -0.02 0.00 0.00 41.12 41.72 2knx n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2knx h ALA 34 N -2.59 -0.32 -0.70 0.00 0.00 -1.92 -3.35 119.26 110.38 2knx h ALA 34 Ca -0.20 -0.20 -0.50 0.00 0.00 0.00 0.00 54.91 54.01 2knx h ALA 34 Cb 0.65 0.13 -0.36 0.00 0.00 0.00 0.00 17.79 18.20 2knx h ALA 34 CO 0.13 -0.40 -0.52 -0.25 0.00 0.00 0.00 179.25 178.21 2knx n ASP 35 N -5.01 4.90 -2.20 0.00 9.92 -1.26 -4.91 116.55 117.98 2knx n ASP 35 Ca -0.08 -3.77 -0.18 0.00 -0.53 0.00 0.00 54.79 50.23 2knx n ASP 35 Cb 0.26 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2knx n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2knx n GLY 36 N -0.80 -0.37 0.16 0.44 0.00 -1.26 -4.90 105.19 98.47 2knx n GLY 36 Ca 0.44 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 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 0.86 0.42 -0.16 4.61 0.00 -1.91 -0.37 119.26 122.72 2knx h ALA 37 Ca -0.44 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2knx h ALA 37 Cb 1.32 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2knx h ALA 37 CO 0.50 -0.30 0.14 0.38 0.00 0.00 0.00 179.25 179.98 2knx h ASP 38 N 0.24 0.00 -0.25 0.00 2.03 -1.93 0.25 116.42 116.76 2knx h ASP 38 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 2knx h ASP 38 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 2knx h ASP 38 CO -0.21 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.38 2knx n GLU 39 N -4.10 1.67 -4.42 4.15 -0.58 -0.17 0.12 120.64 117.31 2knx n GLU 39 Ca 0.01 -1.03 -0.21 0.00 -0.42 0.00 0.00 57.16 55.51 2knx n GLU 39 Cb 0.27 -1.28 -0.10 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.19 2.11 0.61 1.62 0.01 0.89 -4.48 113.70 113.28 2knx s SER 40 Ca 0.24 -1.41 0.34 0.00 1.31 0.00 0.00 55.95 56.43 2knx s SER 40 Cb 0.13 0.04 1.99 0.00 0.21 0.00 0.00 66.02 68.39 2knx s SER 40 CO 0.18 -0.67 2.29 0.40 0.41 0.00 0.00 173.24 175.84 2knx h ILE 41 N 2.15 0.39 -0.77 1.44 5.03 -1.80 -2.03 117.51 121.92 2knx h ILE 41 Ca -0.40 -0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.56 2knx h ILE 41 Cb 1.25 1.00 -0.03 0.00 -3.03 0.00 0.00 36.82 36.01 2knx h ILE 41 CO 0.66 0.00 0.65 0.00 -0.68 0.00 0.00 178.15 178.78 2knx h ALA 42 N 2.00 2.62 0.00 1.87 0.00 -1.96 0.69 119.26 124.48 2knx h ALA 42 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2knx h ALA 42 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2knx h ALA 42 CO 0.00 -1.05 -1.09 0.00 0.00 0.00 0.00 179.25 177.11 2knx n ALA 43 N -2.53 2.57 0.00 0.00 0.00 -0.76 -4.96 120.51 114.83 2knx n ALA 43 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2knx n ALA 43 Cb 0.93 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2knx n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2knx n GLY 44 N 1.20 1.39 0.25 0.00 0.00 0.24 -5.00 105.19 103.27 2knx n GLY 44 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.32 0.00 -4.43 0.00 4.77 -1.26 -4.83 117.00 106.93 2knx n LEU 46 Ca -0.00 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.49 2knx n LEU 46 Cb 0.23 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 2knx n LEU 46 CO 0.37 0.00 1.92 0.00 -1.33 0.00 0.00 177.39 178.35 2knx n TYR 47 N 0.00 1.22 0.00 -1.77 4.11 -1.26 -4.62 117.16 114.84 2knx n TYR 47 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 57.90 58.29 2knx n TYR 47 Cb 0.00 -2.45 0.00 0.00 -0.00 0.00 0.00 39.34 36.89 2knx n TYR 47 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2knx n ASN 48 N 10.30 0.00 -2.07 9.48 3.02 -1.26 -4.70 115.26 130.02 2knx n ASN 48 Ca 0.50 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.87 2knx n ASN 48 Cb 0.16 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 2knx n ASN 48 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2knx n SER 49 N 0.59 -5.13 0.00 6.41 7.64 -1.26 -4.55 113.62 117.33 2knx n SER 49 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2knx n SER 49 Cb 0.00 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 2knx n SER 49 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44