#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmq s LYS 2 N 0.00 1.82 -0.02 1.97 -0.14 -1.26 -5.09 119.74 117.02 2kmq s LYS 2 Ca 0.00 -2.69 -0.08 0.00 -1.36 0.00 0.00 55.97 51.84 2kmq s LYS 2 Cb 0.00 -2.76 0.01 0.00 -1.68 0.00 0.00 37.83 33.40 2kmq s LYS 2 CO 0.00 -1.25 0.16 0.54 -0.76 0.00 0.00 175.35 174.04 2kmq s VAL 3 N -0.58 0.06 -0.12 3.17 0.11 -1.26 -5.14 120.40 116.65 2kmq s VAL 3 Ca 0.24 -0.51 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 2kmq s VAL 3 Cb -0.10 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2kmq s VAL 3 CO -0.11 -0.28 1.60 0.00 -3.33 0.00 0.00 175.10 172.98 2kmq s ALA 5 N 4.36 1.60 0.13 0.00 0.00 -1.26 -5.03 121.76 121.56 2kmq s ALA 5 Ca 0.71 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.25 2kmq s ALA 5 Cb -0.30 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2kmq s ALA 5 CO 0.28 -2.40 -0.18 0.00 0.00 0.00 0.00 175.76 173.45 2kmq s PRO 7 N -2.38 -0.01 0.00 0.00 0.04 -1.26 -5.04 135.00 126.35 2kmq s PRO 7 Ca 0.10 -0.42 0.10 0.00 0.04 0.00 0.00 61.00 60.82 2kmq s PRO 7 Cb -0.07 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.72 2kmq s PRO 7 CO 0.05 -2.85 0.70 1.63 0.04 0.00 0.00 177.00 176.57 2kmq n LYS 8 N -4.07 1.46 -2.18 4.56 4.76 -1.26 -4.94 118.16 116.49 2kmq n LYS 8 Ca 0.16 -0.79 -0.41 0.00 -2.87 0.00 0.00 58.31 54.39 2kmq n LYS 8 Cb 0.59 -1.12 -0.03 0.00 -1.84 0.00 0.00 35.03 32.63 2kmq n LYS 8 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kmq s ILE 9 N -1.15 3.10 0.00 -0.18 1.09 -1.26 -4.94 121.20 117.86 2kmq s ILE 9 Ca 0.10 0.91 -0.04 0.00 -1.10 0.00 0.00 60.65 60.51 2kmq s ILE 9 Cb 0.08 -3.58 -0.19 0.00 -1.06 0.00 0.00 42.46 37.71 2kmq s ILE 9 CO 0.20 0.14 2.94 0.18 -0.10 0.00 0.00 174.94 178.30 2kmq n LEU 10 N 2.53 4.63 -3.27 2.97 7.99 -1.26 -4.57 117.00 126.02 2kmq n LEU 10 Ca 0.06 -2.70 -0.25 0.00 -0.01 0.00 0.00 56.01 53.11 2kmq n LEU 10 Cb 0.42 -1.20 -0.07 0.00 -0.11 0.00 0.00 43.42 42.47 2kmq n LEU 10 CO 0.58 1.32 -0.10 0.29 -1.51 0.00 0.00 177.39 177.97 2kmq n LYS 11 N 2.35 1.67 -0.89 3.23 4.76 -1.26 -5.11 118.16 122.92 2kmq n LYS 11 Ca 0.30 -3.96 -0.28 0.00 -2.87 0.00 0.00 58.31 51.49 2kmq n LYS 11 Cb 0.73 -1.76 0.22 0.00 -1.84 0.00 0.00 35.03 32.38 2kmq n LYS 11 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kmq s PRO 12 N -1.96 -0.38 0.25 1.97 0.04 -1.24 -4.64 135.00 129.04 2kmq s PRO 12 Ca 0.38 0.57 0.01 0.00 0.04 0.00 0.00 61.00 62.01 2kmq s PRO 12 Cb 0.18 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 33.04 2kmq s PRO 12 CO -0.07 -3.30 0.13 0.14 0.04 0.00 0.00 177.00 173.94 2kmq s VAL 13 N -2.75 0.29 -0.22 -0.36 -7.23 -0.01 -2.17 120.40 107.95 2kmq s VAL 13 Ca 0.67 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2kmq s VAL 13 Cb -0.21 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.18 2kmq s VAL 13 CO 0.61 0.00 -0.09 0.00 -0.31 0.00 0.00 175.10 175.31 2kmq s GLY 15 N 1.38 1.59 0.10 0.00 0.00 -0.12 -2.03 107.32 108.24 2kmq s GLY 15 Ca 0.04 -0.21 0.25 0.00 0.00 0.00 0.00 44.72 44.79 2kmq s GLY 15 CO -0.06 0.33 1.78 -1.26 0.00 0.00 0.00 173.10 173.89 2kmq n SER 16 N -4.01 0.35 0.11 1.64 2.88 0.11 -1.73 113.62 112.97 2kmq n SER 16 Ca 0.06 0.55 0.13 0.00 -1.33 0.00 0.00 58.87 58.28 2kmq n SER 16 Cb 0.56 -0.64 0.43 0.00 -0.75 0.00 0.00 64.21 63.82 2kmq n SER 16 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kmq n ASP 17 N -1.84 0.75 0.00 -3.46 2.03 -1.26 -4.94 116.55 107.82 2kmq n ASP 17 Ca 0.05 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2kmq n ASP 17 Cb 0.33 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2kmq n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmq n GLY 18 N 0.95 1.12 3.37 0.27 0.00 -0.70 -5.10 105.19 105.08 2kmq n GLY 18 Ca 0.05 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 2kmq n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kmq s ARG 19 N -1.48 1.35 0.30 1.61 3.52 -1.25 -4.97 118.95 118.03 2kmq s ARG 19 Ca 0.00 -1.37 -0.26 0.00 -0.13 0.00 0.00 55.73 53.97 2kmq s ARG 19 Cb 0.00 -1.68 -0.10 0.00 -1.56 0.00 0.00 34.95 31.61 2kmq s ARG 19 CO 0.00 0.38 0.92 0.99 -0.81 0.00 0.00 175.30 176.78 2kmq s THR 20 N -1.42 4.24 0.00 4.11 2.01 -1.26 -0.94 115.64 122.38 2kmq s THR 20 Ca 0.15 1.79 0.02 0.00 0.31 0.00 0.00 61.69 63.96 2kmq s THR 20 Cb -0.09 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2kmq s THR 20 CO 0.07 0.18 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.79 2kmq s TYR 21 N -1.56 0.70 0.60 4.92 2.02 -0.04 -4.92 117.35 119.06 2kmq s TYR 21 Ca 0.48 -0.17 0.31 0.00 -0.37 0.00 0.00 57.07 57.33 2kmq s TYR 21 Cb -0.19 -0.44 1.89 0.00 -0.40 0.00 0.00 41.96 42.82 2kmq s TYR 21 CO 0.24 -0.01 2.27 0.00 -1.57 0.00 0.00 175.55 176.48 2kmq h ALA 22 N 5.79 1.46 -2.95 3.71 0.00 -1.93 0.01 119.26 125.35 2kmq h ALA 22 Ca -0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2kmq h ALA 22 Cb 1.19 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kmq h ALA 22 CO 0.49 0.00 0.25 -1.71 0.00 0.00 0.00 179.25 178.28 2kmq n ASN 23 N -3.76 -2.14 0.28 0.00 5.15 -1.26 -3.59 115.26 109.94 2kmq n ASN 23 Ca -0.03 -2.50 0.15 0.00 -0.60 0.00 0.00 54.58 51.60 2kmq n ASN 23 Cb 0.08 3.57 0.83 0.00 -0.53 0.00 0.00 39.78 43.73 2kmq n ASN 23 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2kmq h SER 24 N 1.85 0.00 0.27 1.20 4.64 -1.92 -3.33 113.55 116.28 2kmq h SER 24 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2kmq h SER 24 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2kmq h SER 24 CO 0.40 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 2kmq n ILE 26 N -2.23 0.29 -0.35 0.00 -5.35 -1.25 -4.08 119.36 106.40 2kmq n ILE 26 Ca -0.00 -0.10 0.15 0.00 -0.27 0.00 0.00 62.75 62.53 2kmq n ILE 26 Cb 0.11 -0.91 0.36 0.00 -1.74 0.00 0.00 39.64 37.45 2kmq n ILE 26 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kmq h ALA 27 N -0.05 1.74 0.00 -1.28 0.00 -1.71 -2.01 119.26 115.94 2kmq h ALA 27 Ca -0.12 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2kmq h ALA 27 Cb 1.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2kmq h ALA 27 CO -0.04 -0.17 -0.85 0.00 0.00 0.00 0.00 179.25 178.19 2kmq h ARG 28 N 0.67 0.00 0.00 0.00 2.47 -1.58 -0.47 114.38 115.46 2kmq h ARG 28 Ca 0.62 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 59.26 2kmq h ARG 28 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 2kmq h ARG 28 CO -0.43 0.85 -0.36 0.00 0.56 0.00 0.00 179.97 180.59 2kmq h ASN 30 N 0.00 0.00 0.00 0.00 2.35 -1.26 -3.49 115.58 113.18 2kmq h ASN 30 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kmq h ASN 30 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2kmq h ASN 30 CO 0.05 0.42 0.00 0.61 -1.65 0.00 0.00 177.43 176.86 2kmq n GLY 31 N 1.31 0.91 3.80 2.83 0.00 -0.65 -5.11 105.19 108.29 2kmq n GLY 31 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2kmq n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kmq s VAL 32 N -2.00 3.80 0.04 1.61 1.01 -0.28 -4.95 120.40 119.63 2kmq s VAL 32 Ca 0.00 0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.70 2kmq s VAL 32 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2kmq s VAL 32 CO 0.00 -0.70 -0.17 -0.94 0.00 0.00 0.00 175.10 173.28 2kmq s SER 33 N -3.45 3.86 0.32 3.32 1.04 -1.26 -3.57 113.70 113.96 2kmq s SER 33 Ca 0.60 -0.40 -0.29 0.00 0.48 0.00 0.00 55.95 56.34 2kmq s SER 33 Cb -0.15 -0.65 -0.11 0.00 0.10 0.00 0.00 66.02 65.21 2kmq s SER 33 CO 0.51 0.26 1.44 -0.51 0.98 0.00 0.00 173.24 175.92 2kmq s ILE 34 N -0.93 2.40 0.05 -1.02 -1.16 -1.26 0.03 121.20 119.31 2kmq s ILE 34 Ca 0.15 0.37 -0.02 0.00 -0.51 0.00 0.00 60.65 60.64 2kmq s ILE 34 Cb -0.11 -3.24 -0.01 0.00 0.61 0.00 0.00 42.46 39.72 2kmq s ILE 34 CO 0.05 0.08 -0.03 1.17 -2.81 0.00 0.00 174.94 173.40 2kmq n LYS 35 N 1.30 0.05 -4.42 3.50 0.00 -0.86 -4.75 118.16 112.97 2kmq n LYS 35 Ca 0.03 0.02 -0.20 0.00 0.00 0.00 0.00 58.31 58.16 2kmq n LYS 35 Cb 0.40 -0.59 -0.15 0.00 0.00 0.00 0.00 35.03 34.69 2kmq n LYS 35 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2kmq s SER 36 N -5.83 1.25 0.82 3.14 1.04 -1.10 -5.06 113.70 107.96 2kmq s SER 36 Ca -0.03 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 2kmq s SER 36 Cb 0.01 -0.29 0.08 0.00 0.10 0.00 0.00 66.02 65.92 2kmq s SER 36 CO 0.04 0.08 1.09 -1.61 0.98 0.00 0.00 173.24 173.82 2kmq s GLU 37 N 0.08 1.90 0.06 4.02 2.02 -1.26 -0.50 118.70 125.02 2kmq s GLU 37 Ca -0.01 1.00 0.00 0.00 0.02 0.00 0.00 54.97 55.97 2kmq s GLU 37 Cb -0.08 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2kmq s GLU 37 CO 0.00 -1.84 0.00 0.41 0.02 0.00 0.00 175.26 173.85 2kmq n GLY 38 N -1.27 -2.52 3.73 -1.39 0.00 -0.92 -4.67 105.19 98.14 2kmq n GLY 38 Ca 0.08 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2kmq n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kmq s SER 39 N -4.58 6.42 0.28 1.61 0.15 -1.24 -2.61 113.70 113.74 2kmq s SER 39 Ca 0.00 2.84 -0.29 0.00 0.70 0.00 0.00 55.95 59.20 2kmq s SER 39 Cb 0.00 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.61 2kmq s SER 39 CO 0.00 -0.93 1.08 0.00 1.20 0.00 0.00 173.24 174.59 2kmq s PRO 41 N -1.49 1.25 0.08 0.00 0.04 -1.26 -4.84 135.00 128.77 2kmq s PRO 41 Ca 0.45 0.71 0.20 0.00 0.04 0.00 0.00 61.00 62.41 2kmq s PRO 41 Cb -0.31 -1.82 0.84 0.00 0.04 0.00 0.00 34.50 33.25 2kmq s PRO 41 CO 0.39 -2.22 1.64 0.25 0.04 0.00 0.00 177.00 177.10 2kmq n THR 42 N -3.85 0.73 0.00 1.26 -2.24 -1.26 -4.83 114.28 104.09 2kmq n THR 42 Ca 0.07 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2kmq n THR 42 Cb 0.56 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2kmq n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kmq n GLY 43 N 0.40 0.67 0.00 3.38 0.00 -1.26 -5.26 105.19 103.12 2kmq n GLY 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kmq n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83