#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 1.83 -0.29 1.61 2.88 -1.26 -5.03 113.62 113.36 2knx n SER 2 Ca 0.00 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 2knx n SER 2 Cb 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2knx n SER 2 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2knx n GLU 3 N -1.85 0.00 -0.00 -1.46 0.28 -1.26 -4.00 120.64 112.35 2knx n GLU 3 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 2knx n GLU 3 Cb 0.47 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.27 2knx n GLU 3 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2knx h GLY 4 N 0.00 0.09 0.00 -1.84 0.00 -2.07 -3.48 103.07 95.77 2knx h GLY 4 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2knx h GLY 4 CO 0.00 0.05 0.00 0.28 0.00 0.00 0.00 176.54 176.87 2knx n LYS 5 N -4.96 0.00 -1.13 4.80 4.76 -1.26 -5.03 118.16 115.35 2knx n LYS 5 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2knx n LYS 5 Cb 0.11 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 2knx n LYS 5 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2knx n THR 6 N -1.48 -4.02 -3.18 -0.18 -2.24 -1.26 -4.86 114.28 97.06 2knx n THR 6 Ca 0.00 1.68 -0.15 0.00 -2.27 0.00 0.00 64.05 63.31 2knx n THR 6 Cb 0.00 -2.36 0.07 0.00 -2.10 0.00 0.00 70.33 65.93 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 -1.30 -3.48 0.38 0.00 0.00 -1.26 -4.74 105.19 94.79 2knx n GLY 8 Ca -0.14 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 0.54 -2.16 1.61 0.13 -2.03 -3.05 132.00 127.04 2knx h PRO 9 Ca -0.09 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.42 2knx h PRO 9 Cb 0.31 -0.12 -0.41 0.00 0.13 0.00 0.00 31.00 30.90 2knx h PRO 9 CO 0.05 0.36 -0.71 -1.13 -0.23 0.00 0.00 178.00 176.34 2knx n SER 10 N -4.53 3.06 -4.94 1.44 3.41 -1.26 -5.08 113.62 105.72 2knx n SER 10 Ca 0.17 -3.31 -0.24 0.00 -0.26 0.00 0.00 58.87 55.22 2knx n SER 10 Cb 0.52 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.32 4.76 0.16 4.04 0.15 -1.16 -3.98 113.70 115.35 2knx s SER 11 Ca 0.40 -1.14 0.08 0.00 0.70 0.00 0.00 55.95 56.00 2knx s SER 11 Cb 0.17 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 2knx s SER 11 CO -0.04 -1.17 -0.09 0.12 1.20 0.00 0.00 173.24 173.25 2knx s PHE 12 N -2.74 2.68 -0.26 3.44 5.36 -0.43 -4.93 117.98 121.09 2knx s PHE 12 Ca 0.42 -0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 56.16 2knx s PHE 12 Cb -0.03 -1.34 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 2knx s PHE 12 CO 0.26 0.48 -0.03 -1.54 -1.46 0.00 0.00 175.22 172.94 2knx s SER 13 N -2.64 4.52 0.47 6.13 1.04 -1.26 -0.81 113.70 121.14 2knx s SER 13 Ca 0.24 -0.85 -0.25 0.00 0.48 0.00 0.00 55.95 55.58 2knx s SER 13 Cb -0.10 -1.71 -0.08 0.00 0.10 0.00 0.00 66.02 64.23 2knx s SER 13 CO 0.15 -0.14 1.43 0.00 0.98 0.00 0.00 173.24 175.66 2knx s PRO 15 N -2.54 4.68 0.00 0.00 0.04 -1.26 -3.79 135.00 132.13 2knx s PRO 15 Ca 0.63 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2knx s PRO 15 Cb -0.44 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2knx s PRO 15 CO 0.56 0.23 0.00 0.41 0.04 0.00 0.00 177.00 178.24 2knx n GLY 16 N 1.79 2.31 3.81 0.56 0.00 -1.26 -4.94 105.19 107.46 2knx n GLY 16 Ca 0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.36 2.66 -0.56 2.61 -1.32 -1.25 -5.03 115.64 112.39 2knx s THR 17 Ca 0.00 -1.52 -0.01 0.00 -1.21 0.00 0.00 61.69 58.95 2knx s THR 17 Cb 0.00 -3.01 0.43 0.00 -1.51 0.00 0.00 72.50 68.41 2knx s THR 17 CO 0.00 -0.04 2.00 0.00 -2.21 0.00 0.00 174.62 174.37 2knx n HIS 18 N -1.37 2.84 -4.16 9.09 1.44 -1.26 -4.52 115.22 117.29 2knx n HIS 18 Ca 0.01 -2.62 -0.33 0.00 -2.01 0.00 0.00 57.72 52.76 2knx n HIS 18 Cb 0.62 -1.27 -0.08 0.00 0.12 0.00 0.00 29.99 29.39 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 -4.05 4.63 0.22 0.61 0.11 -1.26 -4.99 120.40 115.67 2knx s VAL 19 Ca 0.56 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 59.31 2knx s VAL 19 Cb 0.45 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 32.17 2knx s VAL 19 CO 0.01 0.41 -0.13 0.00 -3.33 0.00 0.00 175.10 172.06 2knx s VAL 21 N -2.97 -0.04 0.63 0.00 0.11 0.01 -4.47 120.40 113.67 2knx s VAL 21 Ca 0.24 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.26 2knx s VAL 21 Cb 0.00 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 2knx s VAL 21 CO 0.08 0.06 1.28 -2.65 -3.33 0.00 0.00 175.10 170.55 2knx n PRO 22 N 4.10 1.19 -0.35 1.54 -0.02 -1.26 -1.31 135.00 138.89 2knx n PRO 22 Ca -0.25 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 2knx n PRO 22 Cb 0.53 -2.52 0.32 0.00 -0.02 0.00 0.00 33.50 31.80 2knx n PRO 22 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2knx h GLU 23 N 0.66 0.77 0.00 -0.52 4.57 -1.93 0.57 114.58 118.71 2knx h GLU 23 Ca -0.51 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 2knx h GLU 23 Cb 1.34 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2knx h GLU 23 CO 0.53 0.51 -0.05 -0.09 -1.18 0.00 0.00 179.01 178.73 2knx h ARG 24 N 0.79 0.00 0.00 1.92 9.65 -1.92 -1.39 114.38 123.43 2knx h ARG 24 Ca 0.55 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.37 2knx h ARG 24 Cb 0.83 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 2knx h ARG 24 CO -0.34 0.05 -1.34 0.91 2.80 0.00 0.00 179.97 182.05 2knx n TRP 25 N -4.02 0.79 -1.68 2.20 7.02 0.17 -4.73 117.44 117.18 2knx n TRP 25 Ca -0.03 0.24 -0.52 0.00 -1.02 0.00 0.00 57.50 56.18 2knx n TRP 25 Cb 0.14 -0.93 -0.06 0.00 -2.42 0.00 0.00 31.31 28.04 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 -2.68 2.87 -4.16 -0.99 7.99 0.43 -2.15 117.00 118.31 2knx n LEU 26 Ca -0.05 1.03 -0.43 0.00 -0.01 0.00 0.00 56.01 56.55 2knx n LEU 26 Cb 0.67 -1.28 -0.01 0.00 -0.11 0.00 0.00 43.42 42.68 2knx n LEU 26 CO 0.42 -0.30 -0.25 0.00 -1.51 0.00 0.00 177.39 175.74 2knx n ASP 28 N -2.32 1.30 0.00 0.00 5.75 -0.91 -4.97 116.55 115.39 2knx n ASP 28 Ca -0.17 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 2knx n ASP 28 Cb 0.60 0.69 0.00 0.00 -1.03 0.00 0.00 41.12 41.38 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 1.27 1.86 3.30 6.12 0.00 -1.26 -5.07 105.19 111.41 2knx n GLY 29 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2knx n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2knx s ASP 30 N -1.75 5.52 -0.63 1.61 -1.08 -1.26 -5.03 116.67 114.05 2knx s ASP 30 Ca 0.00 -1.22 -0.26 0.00 -0.52 0.00 0.00 52.55 50.55 2knx s ASP 30 Cb 0.00 -1.94 -0.11 0.00 -1.46 0.00 0.00 42.92 39.41 2knx s ASP 30 CO 0.00 -0.41 2.44 0.29 0.52 0.00 0.00 175.17 178.02 2knx n LYS 31 N 4.88 0.77 -0.01 4.34 5.02 -1.26 -4.74 118.16 127.17 2knx n LYS 31 Ca -0.11 -0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 55.90 2knx n LYS 31 Cb 0.44 -3.18 -0.14 0.00 -0.02 0.00 0.00 35.03 32.13 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 16.95 0.02 -3.90 4.39 3.32 -1.94 -3.47 116.42 131.79 2knx h ASP 32 Ca -0.16 -0.04 -0.44 0.00 0.02 0.00 0.00 57.03 56.41 2knx h ASP 32 Cb 1.21 -0.01 0.17 0.00 0.22 0.00 0.00 39.33 40.92 2knx h ASP 32 CO 1.17 1.04 0.30 0.00 -1.72 0.00 0.00 179.24 180.03 2knx h ALA 34 N -1.93 -0.55 -0.66 0.00 0.00 -1.93 -3.26 119.26 110.93 2knx h ALA 34 Ca -0.46 -0.18 -0.38 0.00 0.00 0.00 0.00 54.91 53.89 2knx h ALA 34 Cb 1.28 0.21 -0.22 0.00 0.00 0.00 0.00 17.79 19.06 2knx h ALA 34 CO 0.42 -0.67 0.16 -0.25 0.00 0.00 0.00 179.25 178.91 2knx n ASP 35 N -5.22 3.81 -2.18 0.00 9.92 -1.26 -4.90 116.55 116.72 2knx n ASP 35 Ca -0.10 -3.75 -0.18 0.00 -0.53 0.00 0.00 54.79 50.23 2knx n ASP 35 Cb 0.29 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 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 -1.06 -0.35 0.37 0.44 0.00 -1.23 -4.89 105.19 98.47 2knx n GLY 36 Ca 0.46 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.39 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 0.84 1.44 0.00 4.61 0.00 -1.90 -0.40 119.26 123.84 2knx h ALA 37 Ca -0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2knx h ALA 37 Cb 1.31 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2knx h ALA 37 CO 0.49 0.45 -0.02 0.38 0.00 0.00 0.00 179.25 180.55 2knx h ASP 38 N 1.12 0.00 -0.34 0.00 2.03 -1.93 0.17 116.42 117.48 2knx h ASP 38 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 2knx h ASP 38 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2knx h ASP 38 CO -0.13 0.02 0.00 -0.62 -1.03 0.00 0.00 179.24 177.49 2knx n GLU 39 N -3.58 1.85 -4.37 4.15 -0.58 -0.16 0.68 120.64 118.64 2knx n GLU 39 Ca -0.03 -1.24 -0.19 0.00 -0.42 0.00 0.00 57.16 55.29 2knx n GLU 39 Cb 0.11 -1.30 -0.10 0.00 -0.57 0.00 0.00 31.44 29.58 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 -0.96 2.24 0.61 1.62 0.01 0.05 -4.89 113.70 112.38 2knx s SER 40 Ca 0.23 -1.19 0.31 0.00 1.31 0.00 0.00 55.95 56.61 2knx s SER 40 Cb 0.12 -0.07 1.78 0.00 0.21 0.00 0.00 66.02 68.06 2knx s SER 40 CO 0.15 -0.42 2.15 0.40 0.41 0.00 0.00 173.24 175.93 2knx h ILE 41 N 2.42 0.38 -0.88 1.44 1.08 -1.90 -1.59 117.51 118.45 2knx h ILE 41 Ca -0.39 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.34 2knx h ILE 41 Cb 1.22 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 2knx h ILE 41 CO 0.65 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 178.75 2knx h ALA 42 N 1.80 2.80 0.00 1.87 0.00 -1.95 0.51 119.26 124.28 2knx h ALA 42 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2knx h ALA 42 Cb 0.36 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2knx h ALA 42 CO -0.00 -1.06 -0.70 0.00 0.00 0.00 0.00 179.25 177.49 2knx h ALA 43 N 1.56 0.66 0.00 0.00 0.00 -1.35 -3.48 119.26 116.66 2knx h ALA 43 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2knx h ALA 43 Cb 1.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2knx h ALA 43 CO -0.02 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2knx n GLY 44 N 1.17 1.93 0.32 0.00 0.00 0.18 -4.99 105.19 103.80 2knx n GLY 44 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.13 0.00 -4.85 0.00 4.77 -1.26 -4.84 117.00 107.69 2knx n LEU 46 Ca -0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 2knx n LEU 46 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2knx n LEU 46 CO 0.23 0.00 0.67 -0.72 -1.33 0.00 0.00 177.39 176.24 2knx s TYR 47 N 0.00 3.49 0.00 -1.77 1.13 -1.26 -5.00 117.35 113.94 2knx s TYR 47 Ca 0.00 1.41 -0.00 0.00 -1.41 0.00 0.00 57.07 57.06 2knx s TYR 47 Cb 0.00 -2.76 -0.00 0.00 -1.10 0.00 0.00 41.96 38.10 2knx s TYR 47 CO 0.00 -0.42 1.00 -0.91 -2.51 0.00 0.00 175.55 172.72 2knx h ASN 48 N 0.69 -0.01 -1.57 -0.18 2.35 -2.02 -3.46 115.58 111.38 2knx h ASN 48 Ca -0.46 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.04 2knx h ASN 48 Cb 1.19 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 2knx h ASN 48 CO 0.62 -0.00 -0.31 -0.24 -1.65 0.00 0.00 177.43 175.85 2knx n SER 49 N -2.80 -4.08 0.00 5.81 2.88 -1.26 -4.87 113.62 109.30 2knx n SER 49 Ca -0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2knx n SER 49 Cb 0.00 -3.16 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 2knx n SER 49 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22