#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 -8.28 -0.02 1.61 7.64 -1.26 -5.00 113.62 108.31 2knx n SER 2 Ca 0.00 1.22 -0.01 0.00 1.01 0.00 0.00 58.87 61.09 2knx n SER 2 Cb 0.00 -4.58 -0.00 0.00 -1.01 0.00 0.00 64.21 58.62 2knx n SER 2 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2knx h GLU 3 N 3.63 0.00 -1.80 1.43 3.07 -2.09 -3.46 114.58 115.35 2knx h GLU 3 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.48 2knx h GLU 3 Cb 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.62 2knx h GLU 3 CO 0.00 0.00 -0.73 0.20 -1.40 0.00 0.00 179.01 177.08 2knx s GLY 4 N -2.93 0.04 0.28 -3.84 0.00 -1.26 -4.98 107.32 94.62 2knx s GLY 4 Ca -0.03 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.36 2knx s GLY 4 CO 0.05 2.80 1.77 1.70 0.00 0.00 0.00 173.10 179.42 2knx h LYS 5 N 5.94 0.63 -6.92 2.90 3.11 -1.99 -3.37 116.57 116.86 2knx h LYS 5 Ca 0.13 -0.18 -0.50 0.00 -2.81 0.00 0.00 60.65 57.29 2knx h LYS 5 Cb 1.02 -0.07 0.04 0.00 -1.00 0.00 0.00 32.23 32.22 2knx h LYS 5 CO 0.20 0.71 0.48 0.95 -2.81 0.00 0.00 179.45 178.98 2knx s THR 6 N -4.81 3.35 0.00 1.00 -4.23 -1.26 -4.50 115.64 105.20 2knx s THR 6 Ca -0.08 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2knx s THR 6 Cb 0.14 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.32 2knx s THR 6 CO 0.79 0.13 0.00 0.00 -0.54 0.00 0.00 174.62 175.00 2knx n GLY 8 N 0.00 -1.55 3.64 0.00 0.00 -1.26 -4.10 105.19 101.92 2knx n GLY 8 Ca 0.00 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.57 1.72 -3.16 1.61 -0.04 -1.26 -2.72 135.00 127.58 2knx n PRO 9 Ca 0.01 0.61 -0.14 0.00 -0.04 0.00 0.00 63.50 63.94 2knx n PRO 9 Cb 0.64 -2.16 0.07 0.00 -0.04 0.00 0.00 33.50 32.01 2knx n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2knx n SER 10 N 1.74 -3.33 -4.93 3.54 2.88 -1.26 -4.73 113.62 107.53 2knx n SER 10 Ca 0.11 -0.56 -0.25 0.00 -1.33 0.00 0.00 58.87 56.84 2knx n SER 10 Cb 0.31 -4.51 -0.02 0.00 -0.75 0.00 0.00 64.21 59.24 2knx n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2knx s SER 11 N -3.90 6.33 0.14 -3.46 1.04 -1.10 -3.11 113.70 109.64 2knx s SER 11 Ca 0.13 0.49 0.10 0.00 0.48 0.00 0.00 55.95 57.15 2knx s SER 11 Cb -0.02 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 2knx s SER 11 CO 0.63 -0.26 -0.23 0.12 0.98 0.00 0.00 173.24 174.48 2knx s PHE 12 N -2.24 2.08 -0.18 5.02 5.36 -1.00 -4.96 117.98 122.06 2knx s PHE 12 Ca 0.40 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 2knx s PHE 12 Cb -0.10 -1.09 0.02 0.00 -0.34 0.00 0.00 43.02 41.50 2knx s PHE 12 CO 0.34 0.34 -0.18 0.45 -1.46 0.00 0.00 175.22 174.71 2knx s SER 13 N -2.27 3.27 0.32 6.13 0.15 -1.26 -1.29 113.70 118.75 2knx s SER 13 Ca 0.14 -0.61 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 2knx s SER 13 Cb -0.09 -1.51 -0.10 0.00 -1.71 0.00 0.00 66.02 62.61 2knx s SER 13 CO 0.07 0.00 1.39 0.00 1.20 0.00 0.00 173.24 175.90 2knx s PRO 15 N -1.48 4.47 -0.69 0.00 0.04 -1.26 -3.50 135.00 132.59 2knx s PRO 15 Ca 0.53 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.57 2knx s PRO 15 Cb -0.42 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2knx s PRO 15 CO 0.53 -0.03 0.49 0.41 0.04 0.00 0.00 177.00 178.43 2knx n GLY 16 N 1.09 0.19 0.00 0.56 0.00 -1.26 -4.90 105.19 100.87 2knx n GLY 16 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.76 0.00 -2.01 2.61 5.66 -1.23 -5.04 114.28 110.51 2knx n THR 17 Ca -0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.70 2knx n THR 17 Cb 0.54 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.35 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 -0.03 3.04 -4.59 1.09 -0.00 -1.26 -4.69 115.22 108.78 2knx n HIS 18 Ca 0.00 -2.62 -0.33 0.00 0.46 0.00 0.00 57.72 55.23 2knx n HIS 18 Cb 0.00 -0.56 -0.13 0.00 -0.12 0.00 0.00 29.99 29.17 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 -4.95 3.50 0.31 3.57 0.11 -1.26 -5.02 120.40 116.66 2knx s VAL 19 Ca 0.53 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 59.15 2knx s VAL 19 Cb 0.43 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 2knx s VAL 19 CO -0.08 0.52 0.16 0.00 -3.33 0.00 0.00 175.10 172.37 2knx s VAL 21 N -2.34 -0.31 0.61 0.00 0.11 -0.41 -4.73 120.40 113.33 2knx s VAL 21 Ca 0.37 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.37 2knx s VAL 21 Cb -0.05 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2knx s VAL 21 CO 0.23 0.06 1.24 -2.65 -3.33 0.00 0.00 175.10 170.65 2knx n PRO 22 N 4.81 1.22 -0.33 1.54 -0.02 -1.26 -2.37 135.00 138.59 2knx n PRO 22 Ca -0.16 0.47 0.15 0.00 -2.02 0.00 0.00 63.50 61.94 2knx n PRO 22 Cb 0.52 -2.46 0.38 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.77 0.63 0.00 -0.52 4.81 -1.83 0.72 114.58 119.16 2knx h GLU 23 Ca -0.50 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2knx h GLU 23 Cb 1.34 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2knx h GLU 23 CO 0.54 0.42 -0.03 -0.09 -0.73 0.00 0.00 179.01 179.12 2knx h ARG 24 N 0.65 0.00 0.00 1.92 2.43 -1.90 -1.18 114.38 116.30 2knx h ARG 24 Ca 0.57 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.61 2knx h ARG 24 Cb 1.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2knx h ARG 24 CO -0.34 0.03 -1.26 -1.49 -1.51 0.00 0.00 179.97 175.40 2knx h TRP 25 N 0.00 0.00 -1.89 2.20 4.06 0.01 -3.43 115.95 116.90 2knx h TRP 25 Ca -0.00 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.30 2knx h TRP 25 Cb 0.05 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.23 2knx h TRP 25 CO 0.00 0.45 1.01 1.28 -3.56 0.00 0.00 178.44 177.62 2knx n LEU 26 N -2.87 3.08 -4.12 -4.49 7.99 0.11 -2.26 117.00 114.44 2knx n LEU 26 Ca -0.07 1.01 -0.41 0.00 -0.01 0.00 0.00 56.01 56.53 2knx n LEU 26 Cb 0.77 -1.30 -0.01 0.00 -0.11 0.00 0.00 43.42 42.77 2knx n LEU 26 CO 0.42 -0.20 -0.24 0.00 -1.51 0.00 0.00 177.39 175.86 2knx n ASP 28 N -2.16 0.84 0.00 0.00 5.75 -0.96 -4.96 116.55 115.06 2knx n ASP 28 Ca -0.16 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.91 2knx n ASP 28 Cb 0.57 1.16 0.00 0.00 -1.03 0.00 0.00 41.12 41.82 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 1.42 1.88 2.81 6.12 0.00 -1.26 -5.10 105.19 111.06 2knx n GLY 29 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 1.25 -0.70 1.61 1.01 -1.26 -5.09 116.67 111.48 2knx s ASP 30 Ca 0.00 -0.56 -0.25 0.00 0.71 0.00 0.00 52.55 52.45 2knx s ASP 30 Cb 0.00 0.69 -0.14 0.00 1.01 0.00 0.00 42.92 44.48 2knx s ASP 30 CO 0.00 -0.37 2.43 0.29 0.21 0.00 0.00 175.17 177.73 2knx n LYS 31 N 5.33 0.64 -0.03 8.23 5.02 -1.26 -4.71 118.16 131.38 2knx n LYS 31 Ca -0.02 -0.28 -0.10 0.00 -2.02 0.00 0.00 58.31 55.90 2knx n LYS 31 Cb 0.48 -3.03 -0.14 0.00 -0.02 0.00 0.00 35.03 32.31 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 15.11 0.82 -4.28 4.39 8.00 -1.26 -4.88 116.55 134.45 2knx n ASP 32 Ca 0.47 0.34 -0.29 0.00 0.71 0.00 0.00 54.79 56.02 2knx n ASP 32 Cb 0.40 0.05 0.20 0.00 -0.02 0.00 0.00 41.12 41.75 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 -2.14 0.17 -0.51 0.00 0.00 -1.92 -3.24 119.26 111.62 2knx h ALA 34 Ca -0.49 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 53.93 2knx h ALA 34 Cb 1.31 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.79 2knx h ALA 34 CO 0.47 -0.21 -0.51 -0.25 0.00 0.00 0.00 179.25 178.75 2knx n ASP 35 N -4.86 3.92 -2.65 0.00 8.00 -1.26 -4.92 116.55 114.77 2knx n ASP 35 Ca -0.05 -3.80 -0.21 0.00 0.71 0.00 0.00 54.79 51.43 2knx n ASP 35 Cb 0.15 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.78 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 -0.89 -0.51 0.37 0.44 0.00 -1.22 -4.87 105.19 98.51 2knx n GLY 36 Ca 0.37 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 1.00 1.36 0.00 4.61 0.00 -1.91 -1.06 119.26 123.26 2knx h ALA 37 Ca -0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2knx h ALA 37 Cb 1.36 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2knx h ALA 37 CO 0.57 0.54 -0.01 0.38 0.00 0.00 0.00 179.25 180.73 2knx h ASP 38 N 1.25 0.00 -0.45 0.00 3.04 -1.94 0.56 116.42 118.88 2knx h ASP 38 Ca 0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.19 2knx h ASP 38 Cb 0.02 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.31 2knx h ASP 38 CO -0.13 0.01 0.00 -0.62 -2.04 0.00 0.00 179.24 176.47 2knx n GLU 39 N -4.07 2.58 -4.42 4.15 -0.58 -0.41 0.04 120.64 117.94 2knx n GLU 39 Ca -0.03 -1.85 -0.20 0.00 -0.42 0.00 0.00 57.16 54.66 2knx n GLU 39 Cb 0.10 -1.58 -0.11 0.00 -0.57 0.00 0.00 31.44 29.28 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 -0.84 2.08 0.61 1.62 0.01 0.18 -4.90 113.70 112.47 2knx s SER 40 Ca 0.33 -1.38 0.33 0.00 1.31 0.00 0.00 55.95 56.54 2knx s SER 40 Cb 0.20 -0.02 1.88 0.00 0.21 0.00 0.00 66.02 68.29 2knx s SER 40 CO 0.18 -0.63 2.20 0.40 0.41 0.00 0.00 173.24 175.80 2knx h ILE 41 N 2.18 0.36 -0.50 1.44 5.03 -1.79 -1.52 117.51 122.70 2knx h ILE 41 Ca -0.40 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.48 2knx h ILE 41 Cb 1.24 0.92 -0.02 0.00 -3.03 0.00 0.00 36.82 35.93 2knx h ILE 41 CO 0.67 0.00 0.48 0.00 -0.68 0.00 0.00 178.15 178.62 2knx h ALA 42 N 1.87 2.27 -0.58 1.87 0.00 -1.91 0.56 119.26 123.33 2knx h ALA 42 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2knx h ALA 42 Cb 0.22 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2knx h ALA 42 CO -0.00 -0.74 0.10 0.00 0.00 0.00 0.00 179.25 178.61 2knx n ALA 43 N -2.42 4.03 -1.31 0.00 0.00 -0.57 -4.90 120.51 115.33 2knx n ALA 43 Ca 0.09 -2.20 -0.11 0.00 0.00 0.00 0.00 53.44 51.22 2knx n ALA 43 Cb 0.68 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 0.07 1.19 3.37 0.00 0.00 0.20 -4.92 105.19 105.08 2knx n GLY 44 Ca 0.32 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 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 5.10 2.76 0.00 0.00 -0.00 -1.26 -4.07 117.00 119.54 2knx n LEU 46 Ca 0.36 -3.44 0.08 0.00 -0.00 0.00 0.00 56.01 53.01 2knx n LEU 46 Cb 0.41 -0.49 0.36 0.00 -0.00 0.00 0.00 43.42 43.70 2knx n LEU 46 CO 0.64 1.01 0.76 0.00 -0.00 0.00 0.00 177.39 179.79 2knx n TYR 47 N -1.22 0.00 -1.79 1.47 4.11 -1.26 -4.98 117.16 113.48 2knx n TYR 47 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.09 2knx n TYR 47 Cb 0.71 -0.46 0.00 0.00 -0.00 0.00 0.00 39.34 39.59 2knx n TYR 47 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2knx n ASN 48 N -1.46 -8.50 0.00 9.48 2.85 -1.26 -5.04 115.26 111.33 2knx n ASN 48 Ca 0.05 1.23 0.00 0.00 -0.11 0.00 0.00 54.58 55.74 2knx n ASN 48 Cb 0.18 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 36.64 2knx n ASN 48 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2knx n SER 49 N 1.06 0.00 0.00 1.20 3.41 -1.26 -5.27 113.62 112.77 2knx n SER 49 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2knx n SER 49 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2knx n SER 49 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23