#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 -0.36 -2.38 1.61 7.64 -1.26 -5.14 113.62 113.74 2knx n SER 2 Ca 0.00 0.16 -0.01 0.00 1.01 0.00 0.00 58.87 60.04 2knx n SER 2 Cb 0.00 0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2knx n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2knx n GLU 3 N -2.15 -5.17 0.00 1.43 -0.58 -1.26 -4.94 120.64 107.96 2knx n GLU 3 Ca 0.00 3.76 0.00 0.00 -0.42 0.00 0.00 57.16 60.50 2knx n GLU 3 Cb 0.00 -4.79 0.00 0.00 -0.57 0.00 0.00 31.44 26.08 2knx n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2knx n GLY 4 N 1.83 -0.31 5.18 0.62 0.00 -1.26 -5.01 105.19 106.25 2knx n GLY 4 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.00 0.00 0.00 1.61 3.00 -1.26 -4.84 118.16 116.67 2knx n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2knx n LYS 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -3.29 3.15 -2.24 -1.26 -2.71 114.28 107.93 2knx n THR 6 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2knx n THR 6 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.85 -3.29 0.38 0.00 0.00 -1.10 -4.70 105.19 97.32 2knx n GLY 8 Ca 0.30 -1.10 0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.65 1.61 0.13 -1.98 -3.25 132.00 125.86 2knx h PRO 9 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 2knx h PRO 9 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2knx h PRO 9 CO 0.00 0.00 -0.84 -1.54 -0.23 0.00 0.00 178.00 175.39 2knx s SER 10 N -4.99 2.95 0.26 1.44 1.04 -1.26 -5.09 113.70 108.04 2knx s SER 10 Ca -0.04 -2.42 0.07 0.00 0.48 0.00 0.00 55.95 54.04 2knx s SER 10 Cb 0.13 -0.56 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 2knx s SER 10 CO 0.47 -0.28 0.21 -0.94 0.98 0.00 0.00 173.24 173.68 2knx s SER 11 N 0.75 5.54 -0.02 7.02 1.04 -1.23 0.93 113.70 127.73 2knx s SER 11 Ca 0.20 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.40 2knx s SER 11 Cb -0.20 -1.39 -0.00 0.00 0.10 0.00 0.00 66.02 64.54 2knx s SER 11 CO -0.02 -0.07 -0.09 0.12 0.98 0.00 0.00 173.24 174.16 2knx s PHE 12 N -2.14 0.92 -0.28 5.02 5.36 0.16 -4.88 117.98 122.14 2knx s PHE 12 Ca 0.34 -0.21 -0.08 0.00 -0.96 0.00 0.00 56.93 56.02 2knx s PHE 12 Cb -0.08 -0.64 -0.01 0.00 -0.34 0.00 0.00 43.02 41.95 2knx s PHE 12 CO 0.25 -0.07 0.09 -1.54 -1.46 0.00 0.00 175.22 172.49 2knx s SER 13 N 0.07 5.20 0.27 6.13 1.04 -1.26 -1.52 113.70 123.62 2knx s SER 13 Ca -0.01 -0.44 -0.29 0.00 0.48 0.00 0.00 55.95 55.70 2knx s SER 13 Cb -0.07 -1.92 -0.14 0.00 0.10 0.00 0.00 66.02 63.98 2knx s SER 13 CO 0.00 -0.12 1.00 0.00 0.98 0.00 0.00 173.24 175.10 2knx n PRO 15 N 0.90 1.63 -1.90 0.00 -0.04 -1.26 -0.66 135.00 133.66 2knx n PRO 15 Ca 0.11 0.58 -0.18 0.00 -0.04 0.00 0.00 63.50 63.98 2knx n PRO 15 Cb 0.30 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 2knx n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2knx n GLY 16 N 2.30 0.73 2.98 0.55 0.00 -1.26 -4.94 105.19 105.55 2knx n GLY 16 Ca 0.14 0.00 -0.10 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 -2.66 0.07 -2.49 2.61 2.01 0.16 -5.03 115.64 110.31 2knx s THR 17 Ca 0.00 -0.55 0.26 0.00 0.31 0.00 0.00 61.69 61.71 2knx s THR 17 Cb 0.00 -0.22 0.49 0.00 0.01 0.00 0.00 72.50 72.78 2knx s THR 17 CO 0.00 -0.30 1.65 1.57 -0.69 0.00 0.00 174.62 176.84 2knx n HIS 18 N 2.10 0.06 -1.10 4.92 -0.00 -1.26 -4.06 115.22 115.88 2knx n HIS 18 Ca -0.20 -0.03 -0.33 0.00 0.46 0.00 0.00 57.72 57.62 2knx n HIS 18 Cb 0.57 0.00 0.13 0.00 -0.12 0.00 0.00 29.99 30.56 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 -1.94 2.18 0.20 3.57 0.11 -1.26 -4.93 120.40 118.33 2knx s VAL 19 Ca 0.36 0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.58 2knx s VAL 19 Cb 0.20 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 2knx s VAL 19 CO 0.32 -0.06 -0.20 0.00 -3.33 0.00 0.00 175.10 171.82 2knx s VAL 21 N -2.06 -0.98 0.51 0.00 0.11 -0.58 -4.95 120.40 112.45 2knx s VAL 21 Ca 0.20 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 59.03 2knx s VAL 21 Cb -0.06 -0.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.75 2knx s VAL 21 CO 0.09 0.00 1.38 -2.84 -3.33 0.00 0.00 175.10 170.40 2knx s PRO 22 N 2.88 3.34 0.43 1.54 0.02 -0.96 -0.66 135.00 141.59 2knx s PRO 22 Ca -0.02 2.28 0.24 0.00 0.02 0.00 0.00 61.00 63.53 2knx s PRO 22 Cb -0.12 -2.39 1.25 0.00 0.02 0.00 0.00 34.50 33.25 2knx s PRO 22 CO -0.19 -1.05 1.74 1.49 -0.33 0.00 0.00 177.00 178.67 2knx h GLU 23 N 1.76 0.25 -0.26 5.54 4.81 0.21 0.89 114.58 127.79 2knx h GLU 23 Ca -0.51 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2knx h GLU 23 Cb 1.29 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2knx h GLU 23 CO 0.59 0.17 0.17 -0.09 -0.73 0.00 0.00 179.01 179.11 2knx h ARG 24 N 0.26 0.28 0.00 1.92 2.43 -1.89 -0.95 114.38 116.43 2knx h ARG 24 Ca 0.64 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.76 2knx h ARG 24 Cb 1.88 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.36 2knx h ARG 24 CO -0.27 0.19 -0.91 -1.49 -1.51 0.00 0.00 179.97 175.97 2knx h TRP 25 N 0.29 0.00 -2.07 2.20 4.06 0.42 -3.42 115.95 117.44 2knx h TRP 25 Ca 0.10 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.47 2knx h TRP 25 Cb 0.05 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.21 2knx h TRP 25 CO -0.00 0.10 1.41 1.28 -3.56 0.00 0.00 178.44 177.67 2knx n LEU 26 N -2.78 3.51 -3.83 -4.49 7.99 -0.36 -2.68 117.00 114.35 2knx n LEU 26 Ca -0.01 0.44 -0.31 0.00 -0.01 0.00 0.00 56.01 56.12 2knx n LEU 26 Cb 0.60 -1.53 0.02 0.00 -0.11 0.00 0.00 43.42 42.39 2knx n LEU 26 CO 0.40 -0.41 -0.14 0.00 -1.51 0.00 0.00 177.39 175.73 2knx n ASP 28 N -2.73 0.92 0.00 0.00 5.75 -1.09 -4.97 116.55 114.43 2knx n ASP 28 Ca -0.18 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 2knx n ASP 28 Cb 0.62 1.37 0.00 0.00 -1.03 0.00 0.00 41.12 42.08 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 1.46 1.99 3.23 6.12 0.00 -1.26 -5.11 105.19 111.62 2knx n GLY 29 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.33 -1.06 1.61 1.11 -1.26 -5.07 116.67 109.66 2knx s ASP 30 Ca 0.00 0.90 -0.26 0.00 0.18 0.00 0.00 52.55 53.37 2knx s ASP 30 Cb 0.00 1.47 -0.19 0.00 1.07 0.00 0.00 42.92 45.27 2knx s ASP 30 CO 0.00 -0.25 2.12 -0.54 1.18 0.00 0.00 175.17 177.68 2knx s LYS 31 N 2.65 1.48 0.21 8.23 1.02 -1.26 -4.61 119.74 127.46 2knx s LYS 31 Ca 0.02 -0.45 0.14 0.00 0.02 0.00 0.00 55.97 55.71 2knx s LYS 31 Cb -0.13 -5.00 -0.02 0.00 -0.52 0.00 0.00 37.83 32.16 2knx s LYS 31 CO -0.15 -5.08 1.30 -0.44 -0.92 0.00 0.00 175.35 170.07 2knx h ASP 32 N 11.41 0.00 -4.55 2.83 3.32 -1.93 -3.46 116.42 124.05 2knx h ASP 32 Ca 0.05 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.62 2knx h ASP 32 Cb 0.99 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.63 2knx h ASP 32 CO 1.05 0.60 0.41 0.00 -1.72 0.00 0.00 179.24 179.58 2knx h ALA 34 N -0.86 1.17 -0.27 0.00 0.00 -1.99 -3.08 119.26 114.23 2knx h ALA 34 Ca -0.45 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.03 2knx h ALA 34 Cb 1.29 -0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.64 2knx h ALA 34 CO 0.65 0.57 -0.72 -0.25 0.00 0.00 0.00 179.25 179.49 2knx n ASP 35 N -4.26 2.59 -1.86 0.00 8.00 -1.26 -4.95 116.55 114.81 2knx n ASP 35 Ca 0.04 -3.44 -0.18 0.00 0.71 0.00 0.00 54.79 51.92 2knx n ASP 35 Cb 0.23 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 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 -0.73 0.83 0.29 0.44 0.00 -1.16 -4.84 105.19 100.00 2knx n GLY 36 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.33 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 0.59 1.12 -0.04 4.61 0.00 -1.92 0.68 119.26 124.31 2knx h ALA 37 Ca -0.38 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2knx h ALA 37 Cb 1.21 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2knx h ALA 37 CO 0.51 -0.29 0.06 0.38 0.00 0.00 0.00 179.25 179.91 2knx h ASP 38 N 0.37 0.00 -0.39 0.00 2.03 -1.94 0.17 116.42 116.67 2knx h ASP 38 Ca 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 2knx h ASP 38 Cb 0.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 2knx h ASP 38 CO -0.48 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.11 2knx n GLU 39 N -3.59 2.25 -4.47 4.15 -0.58 0.24 0.95 120.64 119.60 2knx n GLU 39 Ca -0.02 -1.54 -0.22 0.00 -0.42 0.00 0.00 57.16 54.96 2knx n GLU 39 Cb 0.14 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.44 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 -0.85 2.48 0.63 1.62 0.01 0.59 -4.73 113.70 113.45 2knx s SER 40 Ca 0.28 -1.41 0.37 0.00 1.31 0.00 0.00 55.95 56.50 2knx s SER 40 Cb 0.16 -0.03 2.07 0.00 0.21 0.00 0.00 66.02 68.44 2knx s SER 40 CO 0.16 -0.64 2.26 0.40 0.41 0.00 0.00 173.24 175.84 2knx h ILE 41 N 2.06 0.23 -0.85 1.44 5.03 -1.87 -1.86 117.51 121.69 2knx h ILE 41 Ca -0.40 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.52 2knx h ILE 41 Cb 1.25 0.95 -0.06 0.00 -3.03 0.00 0.00 36.82 35.93 2knx h ILE 41 CO 0.69 0.00 0.57 0.00 -0.68 0.00 0.00 178.15 178.73 2knx h ALA 42 N 1.91 2.21 0.00 1.87 0.00 -1.95 0.24 119.26 123.54 2knx h ALA 42 Ca 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2knx h ALA 42 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2knx h ALA 42 CO -0.00 -0.47 -0.75 0.00 0.00 0.00 0.00 179.25 178.03 2knx h ALA 43 N 1.62 0.68 0.00 0.00 0.00 -1.40 -3.48 119.26 116.68 2knx h ALA 43 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2knx h ALA 43 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2knx h ALA 43 CO -0.15 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2knx n GLY 44 N 1.21 1.98 0.07 0.00 0.00 0.83 -5.02 105.19 104.26 2knx n GLY 44 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.38 0.00 -4.95 0.00 4.77 -1.26 -4.82 117.00 107.36 2knx n LEU 46 Ca -0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 2knx n LEU 46 Cb 0.90 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 42.14 2knx n LEU 46 CO 0.46 0.00 0.75 -0.72 -1.33 0.00 0.00 177.39 176.55 2knx s TYR 47 N 0.00 1.86 0.07 -1.77 1.13 -1.26 -4.83 117.35 112.55 2knx s TYR 47 Ca 0.00 0.20 0.02 0.00 -1.41 0.00 0.00 57.07 55.88 2knx s TYR 47 Cb 0.00 -3.65 -0.04 0.00 -1.10 0.00 0.00 41.96 37.17 2knx s TYR 47 CO 0.00 -2.17 0.15 0.54 -2.51 0.00 0.00 175.55 171.56 2knx s ASN 48 N -4.78 5.94 -0.05 -0.18 4.22 -1.26 -4.79 114.94 114.05 2knx s ASN 48 Ca 0.69 0.12 0.15 0.00 -2.14 0.00 0.00 52.86 51.68 2knx s ASN 48 Cb -0.06 -1.72 0.27 0.00 1.28 0.00 0.00 41.25 41.02 2knx s ASN 48 CO 0.49 0.16 1.13 -0.24 -2.04 0.00 0.00 177.10 176.60 2knx n SER 49 N 0.33 0.08 0.00 3.54 2.88 -1.26 -5.20 113.62 113.99 2knx n SER 49 Ca -0.07 -2.02 0.15 0.00 -1.33 0.00 0.00 58.87 55.61 2knx n SER 49 Cb 0.51 -0.01 0.90 0.00 -0.75 0.00 0.00 64.21 64.87 2knx n SER 49 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22