#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 2.02 0.00 1.61 1.04 -1.26 -5.01 113.70 112.10 2knx s SER 2 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2knx s SER 2 Cb 0.00 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2knx s SER 2 CO 0.00 0.15 0.00 -1.84 0.98 0.00 0.00 173.24 172.53 2knx n GLU 3 N 2.28 0.00 -2.62 4.02 0.00 -1.26 -5.00 120.64 118.06 2knx n GLU 3 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 56.95 2knx n GLU 3 Cb 0.54 -0.28 0.10 0.00 0.00 0.00 0.00 31.44 31.80 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2knx n GLY 4 N 1.16 1.18 2.21 -1.84 0.00 -1.26 -4.97 105.19 101.67 2knx n GLY 4 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2knx n GLY 4 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2knx n LYS 5 N -0.85 2.33 0.00 1.61 2.85 -1.26 -4.67 118.16 118.17 2knx n LYS 5 Ca -0.10 -2.95 0.00 0.00 -1.05 0.00 0.00 58.31 54.21 2knx n LYS 5 Cb 0.82 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2knx n THR 6 N -0.97 0.00 0.00 0.58 -2.24 -1.26 -4.60 114.28 105.79 2knx n THR 6 Ca 0.58 0.58 0.00 0.00 -2.27 0.00 0.00 64.05 62.94 2knx n THR 6 Cb 1.28 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 2.03 -1.92 0.31 0.00 0.00 -1.26 -3.66 105.19 100.69 2knx n GLY 8 Ca 0.00 -1.31 0.19 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.94 1.61 0.13 -1.99 -3.36 132.00 124.44 2knx h PRO 9 Ca 0.01 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.54 2knx h PRO 9 Cb 0.44 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.18 2knx h PRO 9 CO 0.00 0.02 -0.75 -1.54 -0.23 0.00 0.00 178.00 175.50 2knx s SER 10 N -5.63 4.12 0.31 1.44 1.04 -1.25 -5.10 113.70 108.63 2knx s SER 10 Ca -0.04 -1.66 -0.19 0.00 0.48 0.00 0.00 55.95 54.54 2knx s SER 10 Cb 0.13 -1.08 0.06 0.00 0.10 0.00 0.00 66.02 65.23 2knx s SER 10 CO 0.49 -0.38 0.85 -0.44 0.98 0.00 0.00 173.24 174.74 2knx s SER 11 N 1.43 -0.05 0.12 7.02 0.01 -1.24 -4.12 113.70 116.87 2knx s SER 11 Ca 0.07 -0.90 0.08 0.00 1.31 0.00 0.00 55.95 56.51 2knx s SER 11 Cb -0.18 0.72 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 2knx s SER 11 CO -0.17 -1.42 -0.19 0.12 0.41 0.00 0.00 173.24 171.99 2knx s PHE 12 N -2.58 1.71 -0.19 2.43 5.36 0.53 -4.92 117.98 120.32 2knx s PHE 12 Ca 0.16 -0.45 -0.05 0.00 -0.96 0.00 0.00 56.93 55.63 2knx s PHE 12 Cb -0.04 -0.91 -0.03 0.00 -0.34 0.00 0.00 43.02 41.70 2knx s PHE 12 CO 0.09 0.23 0.00 0.45 -1.46 0.00 0.00 175.22 174.52 2knx s SER 13 N -2.17 4.91 0.37 6.13 0.15 -1.26 -0.55 113.70 121.27 2knx s SER 13 Ca 0.09 -0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.32 2knx s SER 13 Cb -0.08 -1.83 -0.09 0.00 -1.71 0.00 0.00 66.02 62.30 2knx s SER 13 CO 0.05 0.09 1.06 0.00 1.20 0.00 0.00 173.24 175.64 2knx s PRO 15 N -2.25 4.25 -1.00 0.00 0.04 -1.26 -3.63 135.00 131.15 2knx s PRO 15 Ca 0.55 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 2knx s PRO 15 Cb -0.24 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2knx s PRO 15 CO 0.31 -0.08 0.10 0.41 0.04 0.00 0.00 177.00 177.78 2knx n GLY 16 N 0.52 -0.10 0.00 0.56 0.00 -1.26 -4.86 105.19 100.05 2knx n GLY 16 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.00 0.00 -1.21 2.61 5.66 -1.24 -5.02 114.28 111.08 2knx n THR 17 Ca -0.12 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.76 2knx n THR 17 Cb 0.60 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.61 2knx n THR 17 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2knx n HIS 18 N -0.01 2.30 -3.36 1.09 -0.00 -1.26 -4.57 115.22 109.41 2knx n HIS 18 Ca 0.00 -1.53 -0.38 0.00 0.46 0.00 0.00 57.72 56.27 2knx n HIS 18 Cb 0.00 -0.72 -0.06 0.00 -0.12 0.00 0.00 29.99 29.09 2knx n HIS 18 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2knx s VAL 19 N -3.16 4.94 0.32 3.57 0.11 -1.26 -4.96 120.40 119.95 2knx s VAL 19 Ca 0.53 1.03 0.10 0.00 -2.93 0.00 0.00 61.98 60.71 2knx s VAL 19 Cb 0.44 -3.82 -0.06 0.00 -1.53 0.00 0.00 36.38 31.42 2knx s VAL 19 CO 0.09 0.51 -0.09 0.00 -3.33 0.00 0.00 175.10 172.28 2knx s VAL 21 N -2.53 -0.02 0.49 0.00 0.11 0.29 -4.82 120.40 113.91 2knx s VAL 21 Ca 0.32 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.24 2knx s VAL 21 Cb -0.01 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 34.46 2knx s VAL 21 CO 0.17 0.03 1.12 -2.16 -3.33 0.00 0.00 175.10 170.94 2knx s PRO 22 N 0.69 3.66 0.32 1.54 0.04 -1.23 -0.35 135.00 139.67 2knx s PRO 22 Ca -0.05 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.73 2knx s PRO 22 Cb -0.06 -2.23 0.91 0.00 0.04 0.00 0.00 34.50 33.16 2knx s PRO 22 CO -0.04 -0.60 1.72 1.49 0.04 0.00 0.00 177.00 179.62 2knx h GLU 23 N 1.72 0.54 -0.18 4.56 4.81 -1.92 0.92 114.58 125.03 2knx h GLU 23 Ca -0.49 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.75 2knx h GLU 23 Cb 1.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2knx h GLU 23 CO 0.59 0.35 0.13 -0.09 -0.73 0.00 0.00 179.01 179.27 2knx h ARG 24 N 0.55 0.00 0.00 1.92 2.43 -1.93 -0.88 114.38 116.47 2knx h ARG 24 Ca 0.65 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.69 2knx h ARG 24 Cb 1.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2knx h ARG 24 CO -0.48 0.00 -1.50 0.91 -1.51 0.00 0.00 179.97 177.38 2knx n TRP 25 N -4.41 0.76 -1.67 2.20 7.02 0.29 -4.72 117.44 116.92 2knx n TRP 25 Ca 0.01 0.25 -0.52 0.00 -1.02 0.00 0.00 57.50 56.22 2knx n TRP 25 Cb 0.27 -0.98 -0.06 0.00 -2.42 0.00 0.00 31.31 28.12 2knx n TRP 25 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2knx n LEU 26 N -2.75 2.59 -4.03 -0.99 7.99 0.39 -2.15 117.00 118.04 2knx n LEU 26 Ca -0.09 1.06 -0.36 0.00 -0.01 0.00 0.00 56.01 56.61 2knx n LEU 26 Cb 0.78 -1.25 -0.01 0.00 -0.11 0.00 0.00 43.42 42.82 2knx n LEU 26 CO 0.43 -0.46 -0.22 0.00 -1.51 0.00 0.00 177.39 175.63 2knx n ASP 28 N -1.85 0.85 0.00 0.00 5.75 -0.91 -4.99 116.55 115.40 2knx n ASP 28 Ca -0.15 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 2knx n ASP 28 Cb 0.50 1.31 0.00 0.00 -1.03 0.00 0.00 41.12 41.91 2knx n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2knx n GLY 29 N 1.44 1.47 3.44 6.12 0.00 -1.26 -5.08 105.19 111.31 2knx n GLY 29 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.46 5.21 -0.32 1.61 1.01 -1.26 -5.04 116.67 116.41 2knx s ASP 30 Ca 0.00 -0.31 -0.28 0.00 0.71 0.00 0.00 52.55 52.67 2knx s ASP 30 Cb 0.00 -1.93 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 2knx s ASP 30 CO 0.00 -0.08 2.12 -0.54 0.21 0.00 0.00 175.17 176.88 2knx s LYS 31 N 1.60 2.97 -0.14 8.23 1.02 -1.26 -4.78 119.74 127.38 2knx s LYS 31 Ca 0.06 1.66 0.16 0.00 0.02 0.00 0.00 55.97 57.87 2knx s LYS 31 Cb -0.16 -4.36 -0.22 0.00 -0.52 0.00 0.00 37.83 32.57 2knx s LYS 31 CO 0.04 -2.29 0.13 -0.25 -0.92 0.00 0.00 175.35 172.06 2knx n ASP 32 N 12.13 0.83 -3.72 2.83 8.00 -1.26 -4.94 116.55 130.42 2knx n ASP 32 Ca 0.29 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.49 2knx n ASP 32 Cb 0.48 1.10 0.22 0.00 -0.02 0.00 0.00 41.12 42.90 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 -2.23 -0.48 -0.57 0.00 0.00 -1.92 -3.30 119.26 110.75 2knx h ALA 34 Ca -0.42 -0.18 -0.38 0.00 0.00 0.00 0.00 54.91 53.94 2knx h ALA 34 Cb 1.20 0.19 -0.24 0.00 0.00 0.00 0.00 17.79 18.94 2knx h ALA 34 CO 0.28 -0.63 -0.19 -0.25 0.00 0.00 0.00 179.25 178.47 2knx n ASP 35 N -5.18 4.07 -1.90 0.00 8.00 -1.26 -4.91 116.55 115.37 2knx n ASP 35 Ca -0.10 -3.79 -0.17 0.00 0.71 0.00 0.00 54.79 51.44 2knx n ASP 35 Cb 0.27 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 2knx n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2knx n GLY 36 N -0.96 -0.04 0.30 0.44 0.00 -1.24 -4.89 105.19 98.79 2knx n GLY 36 Ca 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 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 0.71 1.06 -0.05 4.61 0.00 -1.91 -0.51 119.26 123.18 2knx h ALA 37 Ca -0.41 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2knx h ALA 37 Cb 1.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2knx h ALA 37 CO 0.50 0.24 0.17 0.38 0.00 0.00 0.00 179.25 180.54 2knx h ASP 38 N 0.91 0.00 -0.31 0.00 3.04 -1.94 0.26 116.42 118.39 2knx h ASP 38 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 2knx h ASP 38 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 2knx h ASP 38 CO -0.15 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.43 2knx n GLU 39 N -3.23 1.87 -4.46 4.15 -0.58 -0.20 0.11 120.64 118.30 2knx n GLU 39 Ca -0.01 -1.17 -0.23 0.00 -0.42 0.00 0.00 57.16 55.33 2knx n GLU 39 Cb 0.24 -1.33 -0.10 0.00 -0.57 0.00 0.00 31.44 29.69 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 -0.90 2.42 0.57 1.62 0.01 0.92 -4.89 113.70 113.45 2knx s SER 40 Ca 0.22 -1.49 0.32 0.00 1.31 0.00 0.00 55.95 56.31 2knx s SER 40 Cb 0.12 0.17 1.71 0.00 0.21 0.00 0.00 66.02 68.23 2knx s SER 40 CO 0.13 -0.74 2.15 0.40 0.41 0.00 0.00 173.24 175.59 2knx h ILE 41 N 2.01 0.37 -0.25 1.44 5.03 -1.81 -2.35 117.51 121.95 2knx h ILE 41 Ca -0.39 -0.34 0.07 0.00 -0.12 0.00 0.00 64.86 64.09 2knx h ILE 41 Cb 1.26 1.24 -0.01 0.00 -3.03 0.00 0.00 36.82 36.28 2knx h ILE 41 CO 0.64 0.06 0.37 0.00 -0.68 0.00 0.00 178.15 178.54 2knx h ALA 42 N 1.94 1.82 -0.02 1.87 0.00 -1.83 0.66 119.26 123.70 2knx h ALA 42 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2knx h ALA 42 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2knx h ALA 42 CO 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.75 2knx n ALA 43 N -2.20 2.59 0.00 0.00 0.00 -0.88 -4.90 120.51 115.11 2knx n ALA 43 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2knx n ALA 43 Cb 0.49 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.22 3.76 0.00 0.00 0.23 -4.98 105.19 106.62 2knx n GLY 44 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.42 0.00 -4.63 0.00 4.32 -1.26 -4.07 117.00 110.94 2knx n LEU 46 Ca 0.07 0.00 -0.54 0.00 -0.02 0.00 0.00 56.01 55.52 2knx n LEU 46 Cb 0.46 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.19 2knx n LEU 46 CO 0.52 0.00 1.48 0.00 -1.22 0.00 0.00 177.39 178.17 2knx n TYR 47 N -1.43 1.99 -1.69 -1.77 4.11 -1.26 -4.83 117.16 112.27 2knx n TYR 47 Ca 0.00 0.37 -0.43 0.00 -0.00 0.00 0.00 57.90 57.85 2knx n TYR 47 Cb 0.17 -2.51 -0.03 0.00 -0.00 0.00 0.00 39.34 36.96 2knx n TYR 47 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 2knx n ASN 48 N 6.73 3.98 -0.01 9.48 0.23 -1.26 -4.87 115.26 129.54 2knx n ASN 48 Ca 0.30 1.00 0.01 0.00 -0.53 0.00 0.00 54.58 55.36 2knx n ASN 48 Cb 0.18 -1.54 0.01 0.00 -2.08 0.00 0.00 39.78 36.35 2knx n ASN 48 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2knx n SER 49 N 5.31 1.89 0.00 0.53 7.64 -1.26 -5.26 113.62 122.47 2knx n SER 49 Ca 0.18 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 58.04 2knx n SER 49 Cb 0.36 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2knx n SER 49 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38