#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 0.57 0.44 1.97 1.02 -1.26 -5.06 119.74 117.41 2kmq s LYS 2 Ca 0.00 -0.79 0.24 0.00 0.02 0.00 0.00 55.97 55.44 2kmq s LYS 2 Cb 0.00 -0.35 0.83 0.00 -0.52 0.00 0.00 37.83 37.80 2kmq s LYS 2 CO 0.00 0.06 1.79 -0.39 -0.92 0.00 0.00 175.35 175.89 2kmq h VAL 3 N 4.44 0.45 0.00 3.17 -1.51 -2.01 -3.35 116.25 117.44 2kmq h VAL 3 Ca -0.36 -1.14 -0.27 0.00 -1.23 0.00 0.00 66.70 63.69 2kmq h VAL 3 Cb 1.20 1.82 -0.04 0.00 -2.13 0.00 0.00 31.29 32.14 2kmq h VAL 3 CO 0.41 0.20 -1.81 0.00 -1.23 0.00 0.00 177.57 175.14 2kmq n ALA 5 N -4.18 -0.79 -3.12 0.00 0.00 -1.26 -3.38 120.51 107.78 2kmq n ALA 5 Ca -0.37 0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 2kmq n ALA 5 Cb 0.71 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.83 2kmq n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmq s PRO 7 N -2.09 0.10 -0.49 0.00 0.04 -1.22 -5.05 135.00 126.29 2kmq s PRO 7 Ca 0.21 0.04 0.06 0.00 0.04 0.00 0.00 61.00 61.34 2kmq s PRO 7 Cb -0.04 -1.74 0.21 0.00 0.04 0.00 0.00 34.50 32.97 2kmq s PRO 7 CO 0.67 -2.85 0.48 1.17 0.04 0.00 0.00 177.00 176.51 2kmq n LYS 8 N -4.17 0.96 -4.62 4.56 4.81 -1.26 -4.92 118.16 113.51 2kmq n LYS 8 Ca 0.11 -3.63 -0.22 0.00 -0.87 0.00 0.00 58.31 53.69 2kmq n LYS 8 Cb 0.59 -1.72 -0.15 0.00 0.02 0.00 0.00 35.03 33.77 2kmq n LYS 8 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2kmq s ILE 9 N -0.94 1.09 1.13 3.15 1.09 -1.26 -5.17 121.20 120.29 2kmq s ILE 9 Ca 0.33 -0.57 -0.18 0.00 -1.10 0.00 0.00 60.65 59.13 2kmq s ILE 9 Cb 0.08 -0.92 0.26 0.00 -1.06 0.00 0.00 42.46 40.82 2kmq s ILE 9 CO -0.14 0.31 1.19 -0.76 -0.10 0.00 0.00 174.94 175.44 2kmq s LEU 10 N -0.16 1.37 -0.78 2.97 2.01 -1.26 -4.68 118.68 118.14 2kmq s LEU 10 Ca 0.02 0.47 -0.01 0.00 0.01 0.00 0.00 54.13 54.62 2kmq s LEU 10 Cb -0.07 -2.28 -0.01 0.00 0.01 0.00 0.00 46.19 43.84 2kmq s LEU 10 CO 0.00 -3.70 0.71 0.29 1.01 0.00 0.00 176.35 174.66 2kmq n LYS 11 N -4.45 -1.42 -0.86 1.70 5.02 -1.26 -4.98 118.16 111.91 2kmq n LYS 11 Ca 0.14 1.35 -0.29 0.00 -2.02 0.00 0.00 58.31 57.49 2kmq n LYS 11 Cb 0.60 -5.39 0.23 0.00 -0.02 0.00 0.00 35.03 30.44 2kmq n LYS 11 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kmq s PRO 12 N -3.38 -0.77 0.27 1.97 0.04 -1.26 -4.85 135.00 127.01 2kmq s PRO 12 Ca 0.05 0.44 0.02 0.00 0.04 0.00 0.00 61.00 61.55 2kmq s PRO 12 Cb -0.01 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2kmq s PRO 12 CO 0.77 -3.52 0.16 0.14 0.04 0.00 0.00 177.00 174.59 2kmq s VAL 13 N -2.73 0.17 -0.21 -0.36 -7.23 -0.07 -1.80 120.40 108.17 2kmq s VAL 13 Ca 0.68 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2kmq s VAL 13 Cb -0.18 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.25 2kmq s VAL 13 CO 0.60 0.00 -0.12 0.00 -0.31 0.00 0.00 175.10 175.27 2kmq s GLY 15 N 1.36 1.57 0.00 0.00 0.00 -0.25 -2.39 107.32 107.61 2kmq s GLY 15 Ca 0.04 -0.31 0.27 0.00 0.00 0.00 0.00 44.72 44.73 2kmq s GLY 15 CO -0.08 0.30 1.89 -1.14 0.00 0.00 0.00 173.10 174.08 2kmq n SER 16 N -4.23 0.00 0.07 1.64 3.41 0.94 -1.69 113.62 113.76 2kmq n SER 16 Ca 0.05 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 2kmq n SER 16 Cb 0.57 -0.45 0.48 0.00 -0.26 0.00 0.00 64.21 64.54 2kmq n SER 16 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2kmq n ASP 17 N -1.45 0.53 -0.18 4.04 2.03 -1.26 -4.95 116.55 115.31 2kmq n ASP 17 Ca 0.08 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.94 2kmq n ASP 17 Cb 0.30 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 1.30 0.85 3.37 0.27 0.00 -0.68 -5.10 105.19 105.20 2kmq n GLY 18 Ca 0.06 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.56 1.40 -0.14 1.61 6.06 -1.25 -4.96 118.95 118.10 2kmq s ARG 19 Ca 0.00 -1.61 -0.08 0.00 -2.50 0.00 0.00 55.73 51.54 2kmq s ARG 19 Cb 0.00 -1.29 -0.04 0.00 0.06 0.00 0.00 34.95 33.68 2kmq s ARG 19 CO 0.00 0.23 0.13 0.99 -2.50 0.00 0.00 175.30 174.15 2kmq s THR 20 N -2.77 5.44 0.03 4.11 2.01 -1.26 -1.09 115.64 122.10 2kmq s THR 20 Ca 0.23 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.43 2kmq s THR 20 Cb -0.02 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2kmq s THR 20 CO 0.09 0.56 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.22 2kmq s TYR 21 N -0.58 0.39 0.44 4.92 2.02 -0.61 -4.97 117.35 118.96 2kmq s TYR 21 Ca 0.13 -0.53 0.31 0.00 -0.37 0.00 0.00 57.07 56.61 2kmq s TYR 21 Cb -0.12 -0.26 1.65 0.00 -0.40 0.00 0.00 41.96 42.83 2kmq s TYR 21 CO 0.02 -0.16 2.13 0.00 -1.57 0.00 0.00 175.55 175.97 2kmq h ALA 22 N 4.57 1.23 -2.96 3.71 0.00 -1.89 -0.16 119.26 123.75 2kmq h ALA 22 Ca -0.33 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kmq h ALA 22 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2kmq h ALA 22 CO 0.42 0.09 0.14 -0.80 0.00 0.00 0.00 179.25 179.10 2kmq s ASN 23 N -5.93 -0.22 0.53 0.00 0.01 -1.26 -4.22 114.94 103.85 2kmq s ASN 23 Ca -0.03 -0.69 0.18 0.00 -0.71 0.00 0.00 52.86 51.61 2kmq s ASN 23 Cb 0.13 0.70 1.34 0.00 0.41 0.00 0.00 41.25 43.83 2kmq s ASN 23 CO 0.55 -1.30 2.15 0.28 -1.51 0.00 0.00 177.10 177.27 2kmq h SER 24 N 2.06 0.00 -0.18 -1.22 0.02 -1.96 -3.25 113.55 109.03 2kmq h SER 24 Ca -0.21 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2kmq h SER 24 Cb 1.25 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 2kmq h SER 24 CO 0.26 0.00 -0.12 0.00 -1.14 0.00 0.00 176.83 175.84 2kmq h ILE 26 N -0.11 1.08 -0.54 0.00 5.03 -1.95 0.60 117.51 121.63 2kmq h ILE 26 Ca 0.10 -0.21 0.09 0.00 -0.12 0.00 0.00 64.86 64.72 2kmq h ILE 26 Cb 0.27 0.91 -0.07 0.00 -3.03 0.00 0.00 36.82 34.90 2kmq h ILE 26 CO -0.25 0.08 0.15 0.00 -0.68 0.00 0.00 178.15 177.45 2kmq h ALA 27 N 1.01 0.64 0.00 1.87 0.00 -1.68 -2.39 119.26 118.72 2kmq h ALA 27 Ca 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2kmq h ALA 27 Cb 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kmq h ALA 27 CO -0.01 -0.27 -0.27 0.00 0.00 0.00 0.00 179.25 178.70 2kmq h ARG 28 N 0.30 0.00 0.00 0.00 3.08 -0.79 -1.61 114.38 115.36 2kmq h ARG 28 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2kmq h ARG 28 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2kmq h ARG 28 CO -0.32 0.27 0.00 0.00 -1.07 0.00 0.00 179.97 178.85 2kmq n ASN 30 N -2.77 1.43 0.00 0.00 3.02 -0.86 -5.01 115.26 111.07 2kmq n ASN 30 Ca -0.01 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 2kmq n ASN 30 Cb 0.16 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2kmq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kmq n GLY 31 N 0.59 0.78 3.79 7.41 0.00 -1.04 -5.07 105.19 111.64 2kmq n GLY 31 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.97 3.49 0.37 1.61 1.01 -0.66 -4.96 120.40 118.29 2kmq s VAL 32 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.54 2kmq s VAL 32 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 2kmq s VAL 32 CO 0.00 -0.63 -0.04 -0.94 0.00 0.00 0.00 175.10 173.49 2kmq s SER 33 N -3.61 3.66 0.27 3.32 1.04 -1.26 -3.14 113.70 113.98 2kmq s SER 33 Ca 0.60 -1.28 -0.29 0.00 0.48 0.00 0.00 55.95 55.46 2kmq s SER 33 Cb -0.16 -0.35 -0.09 0.00 0.10 0.00 0.00 66.02 65.53 2kmq s SER 33 CO 0.56 -0.33 1.00 -0.51 0.98 0.00 0.00 173.24 174.93 2kmq s ILE 34 N -2.71 3.88 0.12 -1.02 -1.16 -1.26 -0.04 121.20 119.01 2kmq s ILE 34 Ca 0.34 1.82 0.00 0.00 -0.51 0.00 0.00 60.65 62.30 2kmq s ILE 34 Cb 0.06 -4.13 0.00 0.00 0.61 0.00 0.00 42.46 38.99 2kmq s ILE 34 CO 0.17 0.38 0.00 1.17 -2.81 0.00 0.00 174.94 173.85 2kmq n LYS 35 N 1.20 0.00 -4.25 3.50 0.00 -1.04 -4.72 118.16 112.85 2kmq n LYS 35 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.16 2kmq n LYS 35 Cb 0.47 -0.36 -0.10 0.00 0.00 0.00 0.00 35.03 35.03 2kmq n LYS 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2kmq s SER 36 N -5.70 1.21 0.47 3.14 0.15 -1.01 -5.06 113.70 106.91 2kmq s SER 36 Ca 0.00 -1.19 0.04 0.00 0.70 0.00 0.00 55.95 55.49 2kmq s SER 36 Cb 0.00 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 2kmq s SER 36 CO 0.00 -0.58 0.67 -1.61 1.20 0.00 0.00 173.24 172.91 2kmq s GLU 37 N -3.93 2.77 0.17 5.44 2.02 -1.26 -0.74 118.70 123.17 2kmq s GLU 37 Ca 0.25 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2kmq s GLU 37 Cb 0.06 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2kmq s GLU 37 CO 0.05 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.30 2kmq n GLY 38 N -2.08 -2.83 3.68 -1.39 0.00 -0.74 -4.58 105.19 97.24 2kmq n GLY 38 Ca 0.06 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 2kmq n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kmq s SER 39 N -4.91 6.60 0.50 1.61 1.04 -1.24 -2.80 113.70 114.50 2kmq s SER 39 Ca 0.00 2.44 -0.20 0.00 0.48 0.00 0.00 55.95 58.67 2kmq s SER 39 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 2kmq s SER 39 CO 0.00 -0.93 1.08 0.00 0.98 0.00 0.00 173.24 174.37 2kmq s PRO 41 N -3.19 2.93 -0.01 0.00 0.04 -1.26 -4.81 135.00 128.69 2kmq s PRO 41 Ca 0.69 0.99 0.19 0.00 0.04 0.00 0.00 61.00 62.91 2kmq s PRO 41 Cb -0.20 -1.99 -0.24 0.00 0.04 0.00 0.00 34.50 32.12 2kmq s PRO 41 CO 0.23 -1.11 0.70 0.25 0.04 0.00 0.00 177.00 177.11 2kmq n THR 42 N -3.06 0.00 0.00 1.26 -2.24 -1.26 -4.97 114.28 104.01 2kmq n THR 42 Ca 0.08 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2kmq n THR 42 Cb 0.53 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.43 1.26 0.00 3.38 0.00 -1.26 -5.24 105.19 104.75 2kmq n GLY 43 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2kmq n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71