#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 4.58 0.69 1.61 0.15 -1.26 -5.00 113.70 114.47 2knx s SER 2 Ca 0.00 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2knx s SER 2 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2knx s SER 2 CO 0.00 -1.04 0.00 1.21 1.20 0.00 0.00 173.24 174.61 2knx n GLU 3 N -1.68 -1.34 -1.64 5.44 2.13 -1.26 -4.56 120.64 117.73 2knx n GLU 3 Ca -0.03 0.89 -0.44 0.00 0.66 0.00 0.00 57.16 58.23 2knx n GLU 3 Cb 0.64 -1.64 -0.03 0.00 0.27 0.00 0.00 31.44 30.68 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2knx n GLY 4 N -1.95 1.49 0.00 8.31 0.00 -1.26 -4.92 105.19 106.86 2knx n GLY 4 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2knx n GLY 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2knx n LYS 5 N 7.80 0.86 0.00 1.61 3.00 -1.26 -4.99 118.16 125.18 2knx n LYS 5 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2knx n LYS 5 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2knx n THR 6 N 0.00 0.00 -2.57 3.15 -2.24 -1.26 -4.57 114.28 106.79 2knx n THR 6 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2knx n THR 6 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 5.00 0.62 0.34 0.00 0.00 -1.26 -4.80 105.19 105.08 2knx n GLY 8 Ca 0.00 -1.53 0.17 0.00 0.00 0.00 0.00 46.02 44.66 2knx n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2knx h PRO 9 N 0.00 0.00 -1.15 1.61 0.13 -2.00 -2.47 132.00 128.12 2knx h PRO 9 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2knx h PRO 9 Cb 0.00 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.72 2knx h PRO 9 CO 0.00 0.00 -0.94 -1.13 -0.23 0.00 0.00 178.00 175.70 2knx n SER 10 N -3.77 3.27 -4.65 1.44 3.41 -1.26 -5.07 113.62 106.99 2knx n SER 10 Ca 0.02 -3.21 -0.34 0.00 -0.26 0.00 0.00 58.87 55.08 2knx n SER 10 Cb 0.33 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 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 -3.42 5.02 -0.00 4.04 0.01 -0.93 -3.43 113.70 114.99 2knx s SER 11 Ca 0.39 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.53 2knx s SER 11 Cb 0.42 -1.35 -0.06 0.00 0.21 0.00 0.00 66.02 65.24 2knx s SER 11 CO -0.07 0.35 0.49 0.12 0.41 0.00 0.00 173.24 174.55 2knx s PHE 12 N -0.90 3.70 -0.19 2.43 5.36 0.35 -4.83 117.98 123.90 2knx s PHE 12 Ca 0.14 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 57.13 2knx s PHE 12 Cb -0.11 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 40.09 2knx s PHE 12 CO 0.04 0.50 0.04 -1.54 -1.46 0.00 0.00 175.22 172.80 2knx s SER 13 N -0.64 5.37 0.38 6.13 1.04 -1.26 0.95 113.70 125.67 2knx s SER 13 Ca 0.27 -0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.41 2knx s SER 13 Cb -0.17 -1.92 -0.11 0.00 0.10 0.00 0.00 66.02 63.91 2knx s SER 13 CO 0.15 0.14 1.37 0.00 0.98 0.00 0.00 173.24 175.88 2knx s PRO 15 N -2.06 4.25 -1.27 0.00 0.04 -1.26 -2.64 135.00 132.06 2knx s PRO 15 Ca 0.56 2.32 -0.02 0.00 0.04 0.00 0.00 61.00 63.90 2knx s PRO 15 Cb -0.52 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2knx s PRO 15 CO 0.62 -0.49 0.17 0.41 0.04 0.00 0.00 177.00 177.75 2knx n GLY 16 N 2.75 -0.50 3.07 0.56 0.00 -1.26 -4.95 105.19 104.87 2knx n GLY 16 Ca 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2knx n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2knx s THR 17 N -2.81 0.16 -0.43 2.61 2.01 -1.08 -5.04 115.64 111.05 2knx s THR 17 Ca 0.12 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.84 2knx s THR 17 Cb -0.06 -0.96 0.61 0.00 0.01 0.00 0.00 72.50 72.10 2knx s THR 17 CO 0.14 -0.72 1.87 1.41 -0.69 0.00 0.00 174.62 176.63 2knx n HIS 18 N 0.73 2.89 -4.94 4.92 8.25 -1.26 -4.58 115.22 121.23 2knx n HIS 18 Ca -0.18 -1.84 -0.33 0.00 -0.26 0.00 0.00 57.72 55.12 2knx n HIS 18 Cb 0.59 -0.94 -0.14 0.00 1.12 0.00 0.00 29.99 30.62 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 -3.17 2.92 0.34 1.59 0.11 -1.26 -5.05 120.40 115.87 2knx s VAL 19 Ca 0.54 -0.77 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 2knx s VAL 19 Cb 0.45 -2.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2knx s VAL 19 CO 0.10 0.58 0.17 0.00 -3.33 0.00 0.00 175.10 172.62 2knx s VAL 21 N -2.42 -0.02 0.51 0.00 0.11 0.27 -4.74 120.40 114.12 2knx s VAL 21 Ca 0.39 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.31 2knx s VAL 21 Cb -0.03 -0.61 -0.07 0.00 -1.53 0.00 0.00 36.38 34.15 2knx s VAL 21 CO 0.23 0.03 1.05 -2.16 -3.33 0.00 0.00 175.10 170.92 2knx s PRO 22 N 1.09 3.66 0.55 1.54 0.04 -0.68 0.13 135.00 141.32 2knx s PRO 22 Ca -0.07 1.34 0.30 0.00 0.04 0.00 0.00 61.00 62.61 2knx s PRO 22 Cb -0.07 -2.07 1.47 0.00 0.04 0.00 0.00 34.50 33.86 2knx s PRO 22 CO -0.09 -0.55 1.90 0.93 0.04 0.00 0.00 177.00 179.23 2knx h GLU 23 N 1.27 0.00 0.00 4.56 4.39 -1.91 0.87 114.58 123.75 2knx h GLU 23 Ca -0.49 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.16 2knx h GLU 23 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 2knx h GLU 23 CO 0.58 0.00 -0.24 -0.09 -1.16 0.00 0.00 179.01 178.10 2knx h ARG 24 N 0.00 0.00 -0.54 2.33 2.43 -1.91 -2.32 114.38 114.37 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 1.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2knx h ARG 24 CO -0.00 0.24 0.00 0.91 -1.51 0.00 0.00 179.97 179.61 2knx n TRP 25 N -3.58 1.71 -3.27 2.20 7.02 0.30 -4.80 117.44 117.02 2knx n TRP 25 Ca -0.01 -0.71 -0.41 0.00 -1.02 0.00 0.00 57.50 55.34 2knx n TRP 25 Cb 0.38 -0.40 -0.08 0.00 -2.42 0.00 0.00 31.31 28.79 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 -2.48 4.41 -1.11 -0.99 2.01 -0.88 -4.44 118.68 115.21 2knx s LEU 26 Ca 0.51 -0.13 -0.18 0.00 0.01 0.00 0.00 54.13 54.34 2knx s LEU 26 Cb 0.37 -2.53 -0.02 0.00 0.01 0.00 0.00 46.19 44.02 2knx s LEU 26 CO 0.17 -0.48 0.81 0.00 1.01 0.00 0.00 176.35 177.86 2knx n ASP 28 N -2.72 1.27 0.00 0.00 9.92 -1.26 -5.01 116.55 118.75 2knx n ASP 28 Ca -0.09 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 2knx n ASP 28 Cb 0.59 1.06 0.00 0.00 -0.64 0.00 0.00 41.12 42.13 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 1.43 1.29 3.37 0.44 0.00 -1.26 -5.06 105.19 105.39 2knx n GLY 29 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.32 6.11 -0.66 1.61 1.01 -1.26 -5.01 116.67 117.15 2knx s ASP 30 Ca 0.00 -1.40 -0.26 0.00 0.71 0.00 0.00 52.55 51.60 2knx s ASP 30 Cb 0.00 -2.17 -0.12 0.00 1.01 0.00 0.00 42.92 41.64 2knx s ASP 30 CO 0.00 -0.66 2.43 0.29 0.21 0.00 0.00 175.17 177.43 2knx n LYS 31 N 5.18 0.75 0.01 8.23 5.02 -1.26 -4.73 118.16 131.36 2knx n LYS 31 Ca -0.12 -0.30 -0.12 0.00 -2.02 0.00 0.00 58.31 55.75 2knx n LYS 31 Cb 0.43 -3.28 -0.14 0.00 -0.02 0.00 0.00 35.03 32.02 2knx n LYS 31 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2knx h ASP 32 N 16.30 0.14 -2.52 4.39 3.32 -1.95 -3.46 116.42 132.63 2knx h ASP 32 Ca -0.13 -0.23 -0.25 0.00 0.02 0.00 0.00 57.03 56.43 2knx h ASP 32 Cb 1.17 -0.04 0.14 0.00 0.22 0.00 0.00 39.33 40.82 2knx h ASP 32 CO 1.14 1.20 -0.02 0.00 -1.72 0.00 0.00 179.24 179.85 2knx h ALA 34 N -2.79 0.06 -0.09 0.00 0.00 -1.92 -3.35 119.26 111.16 2knx h ALA 34 Ca -0.27 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 2knx h ALA 34 Cb 0.86 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2knx h ALA 34 CO 0.17 0.21 -0.56 -3.47 0.00 0.00 0.00 179.25 175.60 2knx n ASP 35 N -4.37 2.06 -1.52 0.00 2.03 -1.26 -4.94 116.55 108.56 2knx n ASP 35 Ca -0.10 -3.82 -0.13 0.00 0.52 0.00 0.00 54.79 51.26 2knx n ASP 35 Cb 0.58 -0.50 -0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.02 -0.13 0.26 0.27 0.00 -1.26 -4.92 105.19 98.40 2knx n GLY 36 Ca 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.60 0.87 -0.29 4.61 0.00 -1.92 -0.74 119.26 122.40 2knx h ALA 37 Ca -0.30 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.68 2knx h ALA 37 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2knx h ALA 37 CO 0.35 0.12 0.23 0.38 0.00 0.00 0.00 179.25 180.34 2knx h ASP 38 N 0.76 0.00 -0.45 0.00 3.04 -1.91 0.32 116.42 118.17 2knx h ASP 38 Ca 0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 2knx h ASP 38 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 2knx h ASP 38 CO -0.13 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.45 2knx n GLU 39 N -4.20 3.53 -1.94 4.15 1.02 -0.30 -1.96 120.64 120.94 2knx n GLU 39 Ca 0.04 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 2knx n GLU 39 Cb 0.39 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2knx n GLU 39 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2knx n SER 40 N 0.61 1.14 0.16 1.62 2.88 0.11 -4.97 113.62 115.17 2knx n SER 40 Ca 0.20 -0.97 0.03 0.00 -1.33 0.00 0.00 58.87 56.80 2knx n SER 40 Cb 0.84 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.54 2knx n SER 40 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2knx h ILE 41 N 0.97 1.02 -0.44 2.46 5.03 -1.75 -2.98 117.51 121.82 2knx h ILE 41 Ca 0.00 -1.84 0.13 0.00 -0.12 0.00 0.00 64.86 63.03 2knx h ILE 41 Cb 0.00 2.09 -0.02 0.00 -3.03 0.00 0.00 36.82 35.87 2knx h ILE 41 CO 0.00 0.46 0.49 0.00 -0.68 0.00 0.00 178.15 178.42 2knx h ALA 42 N 1.53 2.15 -0.67 1.87 0.00 -1.88 0.74 119.26 123.01 2knx h ALA 42 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2knx h ALA 42 Cb 1.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2knx h ALA 42 CO 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 178.60 2knx n ALA 43 N -2.33 2.88 -0.89 0.00 0.00 -1.18 -4.91 120.51 114.09 2knx n ALA 43 Ca 0.08 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.99 2knx n ALA 43 Cb 0.67 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 1.24 0.46 3.22 0.00 0.00 0.26 -5.01 105.19 105.36 2knx n GLY 44 Ca 0.25 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 4.06 1.93 -0.35 0.00 4.77 -1.26 -3.15 117.00 123.01 2knx n LEU 46 Ca 0.05 0.36 0.25 0.00 -0.03 0.00 0.00 56.01 56.65 2knx n LEU 46 Cb 0.42 -0.85 0.51 0.00 -2.33 0.00 0.00 43.42 41.17 2knx n LEU 46 CO 0.37 0.46 1.20 0.10 -1.33 0.00 0.00 177.39 178.19 2knx h TYR 47 N -1.00 0.72 -2.98 -1.77 -0.00 -1.99 -3.47 116.97 106.48 2knx h TYR 47 Ca -0.59 0.03 0.32 0.00 -0.00 0.00 0.00 58.73 58.49 2knx h TYR 47 Cb 1.51 -0.20 -0.12 0.00 -0.00 0.00 0.00 36.73 37.92 2knx h TYR 47 CO -0.06 -0.02 -0.71 -1.71 -0.00 0.00 0.00 178.16 175.65 2knx n ASN 48 N -4.73 -7.37 -2.66 0.10 4.05 -1.26 -4.97 115.26 98.41 2knx n ASN 48 Ca 0.29 0.81 -0.04 0.00 0.45 0.00 0.00 54.58 56.09 2knx n ASN 48 Cb 0.98 -4.15 0.09 0.00 1.23 0.00 0.00 39.78 37.92 2knx n ASN 48 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2knx n SER 49 N -4.31 -1.24 -0.22 1.20 3.41 -1.26 -5.21 113.62 106.00 2knx n SER 49 Ca -0.03 -1.77 0.15 0.00 -0.26 0.00 0.00 58.87 56.97 2knx n SER 49 Cb 0.66 0.82 0.76 0.00 -0.26 0.00 0.00 64.21 66.18 2knx n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23