#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmr s LYS 2 N 0.00 2.79 -0.01 1.97 2.20 -1.26 -4.96 119.74 120.48 2kmr s LYS 2 Ca 0.00 -0.08 -0.05 0.00 -0.36 0.00 0.00 55.97 55.48 2kmr s LYS 2 Cb 0.00 -4.76 0.00 0.00 -1.51 0.00 0.00 37.83 31.56 2kmr s LYS 2 CO 0.00 -2.85 0.10 0.54 -0.36 0.00 0.00 175.35 172.78 2kmr s VAL 3 N 8.52 0.06 -0.23 4.02 0.11 -1.26 -5.13 120.40 126.50 2kmr s VAL 3 Ca 0.62 -0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 2kmr s VAL 3 Cb -0.08 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2kmr s VAL 3 CO 0.07 -0.29 1.79 0.00 -3.33 0.00 0.00 175.10 173.34 2kmr n ALA 5 N 9.37 6.09 -1.29 0.00 0.00 -1.26 -4.96 120.51 128.46 2kmr n ALA 5 Ca 0.22 -2.60 -0.31 0.00 0.00 0.00 0.00 53.44 50.75 2kmr n ALA 5 Cb 0.45 -3.06 0.09 0.00 0.00 0.00 0.00 19.45 16.93 2kmr n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmr s PRO 7 N -4.79 1.38 0.41 0.00 0.04 -1.26 -4.98 135.00 125.79 2kmr s PRO 7 Ca 0.62 0.74 0.18 0.00 0.04 0.00 0.00 61.00 62.58 2kmr s PRO 7 Cb -0.18 -1.83 0.88 0.00 0.04 0.00 0.00 34.50 33.41 2kmr s PRO 7 CO 0.54 -2.14 1.85 1.57 0.04 0.00 0.00 177.00 178.87 2kmr h LYS 8 N -1.47 0.00 -7.24 4.56 2.10 -2.04 -3.45 116.57 109.03 2kmr h LYS 8 Ca -0.49 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.65 2kmr h LYS 8 Cb 1.28 0.00 0.20 0.00 -0.90 0.00 0.00 32.23 32.82 2kmr h LYS 8 CO 0.56 0.32 0.17 0.42 -2.00 0.00 0.00 179.45 178.92 2kmr s ILE 9 N -4.00 2.01 -0.27 0.07 -1.09 -1.26 -5.06 121.20 111.59 2kmr s ILE 9 Ca -0.02 0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.37 2kmr s ILE 9 Cb 0.13 -2.01 0.10 0.00 -1.58 0.00 0.00 42.46 39.11 2kmr s ILE 9 CO 0.68 -0.00 0.17 -0.22 -1.23 0.00 0.00 174.94 174.34 2kmr s LEU 10 N -6.77 0.30 -0.70 2.97 2.96 -1.26 -4.97 118.68 111.20 2kmr s LEU 10 Ca 0.67 -1.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2kmr s LEU 10 Cb -0.24 -0.09 0.17 0.00 0.50 0.00 0.00 46.19 46.53 2kmr s LEU 10 CO 0.59 -0.41 0.51 -0.54 -1.32 0.00 0.00 176.35 175.18 2kmr s LYS 11 N 2.18 2.61 -1.21 1.98 1.02 -1.18 -5.05 119.74 120.09 2kmr s LYS 11 Ca 0.08 -2.97 -0.21 0.00 0.02 0.00 0.00 55.97 52.89 2kmr s LYS 11 Cb -0.16 -3.63 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 2kmr s LYS 11 CO -0.31 -1.22 1.83 -1.25 -0.92 0.00 0.00 175.35 173.48 2kmr s PRO 12 N -0.83 3.17 0.59 -1.68 0.04 -1.23 -3.92 135.00 131.13 2kmr s PRO 12 Ca 0.22 -1.47 -0.06 0.00 0.04 0.00 0.00 61.00 59.73 2kmr s PRO 12 Cb -0.14 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.04 2kmr s PRO 12 CO -0.09 -3.15 0.91 0.14 0.04 0.00 0.00 177.00 174.85 2kmr s VAL 13 N 7.86 3.78 1.14 -0.36 -7.23 -0.88 -4.86 120.40 119.86 2kmr s VAL 13 Ca 0.61 0.07 -0.16 0.00 -1.81 0.00 0.00 61.98 60.69 2kmr s VAL 13 Cb 0.01 -3.50 0.26 0.00 0.56 0.00 0.00 36.38 33.71 2kmr s VAL 13 CO 0.09 -0.52 1.08 0.00 -0.31 0.00 0.00 175.10 175.44 2kmr s GLY 15 N -3.53 -0.04 0.38 0.00 0.00 -0.47 -4.58 107.32 99.09 2kmr s GLY 15 Ca 0.68 -0.20 0.08 0.00 0.00 0.00 0.00 44.72 45.28 2kmr s GLY 15 CO 0.58 -0.40 1.96 0.23 0.00 0.00 0.00 173.10 175.47 2kmr h SER 16 N 3.18 0.58 0.54 1.64 0.87 -1.83 -1.23 113.55 117.30 2kmr h SER 16 Ca -0.32 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2kmr h SER 16 Cb 1.20 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2kmr h SER 16 CO 0.49 0.36 0.00 -0.67 -0.53 0.00 0.00 176.83 176.48 2kmr n ASP 17 N -4.48 0.00 0.00 6.23 2.03 -1.26 -4.86 116.55 114.21 2kmr n ASP 17 Ca 0.11 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2kmr n ASP 17 Cb 0.28 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2kmr n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmr n GLY 18 N 0.27 1.22 3.24 0.27 0.00 -0.47 -5.12 105.19 104.60 2kmr n GLY 18 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2kmr n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmr s ARG 19 N -0.49 2.50 0.52 1.61 0.52 -1.20 -4.91 118.95 117.49 2kmr s ARG 19 Ca 0.00 -0.85 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 2kmr s ARG 19 Cb 0.00 -2.08 -0.07 0.00 0.52 0.00 0.00 34.95 33.32 2kmr s ARG 19 CO 0.00 0.33 1.04 0.95 0.02 0.00 0.00 175.30 177.63 2kmr s THR 20 N -0.05 3.86 0.02 0.02 -4.23 -1.26 -1.37 115.64 112.62 2kmr s THR 20 Ca -0.06 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 2kmr s THR 20 Cb -0.14 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 2kmr s THR 20 CO 0.04 -0.34 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.44 2kmr s TYR 21 N -2.15 0.27 0.26 3.99 2.02 0.02 -4.90 117.35 116.85 2kmr s TYR 21 Ca 0.66 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 2kmr s TYR 21 Cb -0.16 -0.19 0.33 0.00 -0.40 0.00 0.00 41.96 41.54 2kmr s TYR 21 CO 0.25 -0.16 1.63 0.00 -1.57 0.00 0.00 175.55 175.70 2kmr h ALA 22 N 4.78 0.96 -2.73 3.71 0.00 -1.86 -2.33 119.26 121.80 2kmr h ALA 22 Ca -0.32 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 53.98 2kmr h ALA 22 Cb 1.21 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 2kmr h ALA 22 CO 0.42 0.64 -0.36 -0.80 0.00 0.00 0.00 179.25 179.14 2kmr s ASN 23 N -6.87 0.14 0.37 0.00 0.01 -1.25 -3.10 114.94 104.23 2kmr s ASN 23 Ca -0.05 -1.20 0.05 0.00 -0.71 0.00 0.00 52.86 50.94 2kmr s ASN 23 Cb 0.13 0.50 0.73 0.00 0.41 0.00 0.00 41.25 43.02 2kmr s ASN 23 CO 0.80 -1.01 2.02 0.77 -1.51 0.00 0.00 177.10 178.16 2kmr h SER 24 N 2.41 0.63 0.20 -1.22 4.64 -1.87 -2.99 113.55 115.35 2kmr h SER 24 Ca -0.31 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2kmr h SER 24 Cb 1.25 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2kmr h SER 24 CO 0.44 0.45 -0.35 0.00 -0.87 0.00 0.00 176.83 176.49 2kmr h ILE 26 N -0.59 1.09 0.46 0.00 6.09 -1.96 0.50 117.51 123.11 2kmr h ILE 26 Ca -0.02 -0.32 -0.02 0.00 -1.37 0.00 0.00 64.86 63.13 2kmr h ILE 26 Cb 0.55 0.09 0.00 0.00 0.47 0.00 0.00 36.82 37.94 2kmr h ILE 26 CO -0.12 0.17 -0.23 0.00 -3.07 0.00 0.00 178.15 174.90 2kmr h ALA 27 N 1.56 -0.63 -0.91 0.18 0.00 -1.41 -0.92 119.26 117.13 2kmr h ALA 27 Ca 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2kmr h ALA 27 Cb 0.11 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2kmr h ALA 27 CO -0.10 -0.85 0.50 0.00 0.00 0.00 0.00 179.25 178.80 2kmr h ARG 28 N -0.63 1.27 -0.53 0.00 2.47 -0.81 0.07 114.38 116.22 2kmr h ARG 28 Ca -0.06 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 2kmr h ARG 28 Cb 0.48 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2kmr h ARG 28 CO 0.10 0.92 0.27 0.00 0.56 0.00 0.00 179.97 181.82 2kmr h ASN 30 N 0.71 0.35 0.00 0.00 -0.73 -0.86 -3.48 115.58 111.56 2kmr h ASN 30 Ca 0.18 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 57.92 2kmr h ASN 30 Cb 0.10 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2kmr h ASN 30 CO -0.03 0.71 0.00 0.61 -0.37 0.00 0.00 177.43 178.35 2kmr n GLY 31 N 0.06 0.39 3.35 1.57 0.00 -0.25 -5.10 105.19 105.21 2kmr n GLY 31 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2kmr n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kmr s VAL 32 N -0.39 1.92 0.37 1.61 1.01 -0.15 -5.00 120.40 119.76 2kmr s VAL 32 Ca 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 61.98 60.02 2kmr s VAL 32 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2kmr s VAL 32 CO 0.00 -0.34 0.18 -0.55 0.00 0.00 0.00 175.10 174.39 2kmr s SER 33 N -2.82 2.21 -0.21 3.32 0.15 -1.26 -2.62 113.70 112.47 2kmr s SER 33 Ca 0.18 -1.68 -0.04 0.00 0.70 0.00 0.00 55.95 55.11 2kmr s SER 33 Cb -0.05 0.51 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 2kmr s SER 33 CO 0.08 -0.97 0.14 -0.63 1.20 0.00 0.00 173.24 173.06 2kmr s ILE 34 N -3.36 -0.16 0.51 6.45 1.01 -1.26 -3.79 121.20 120.60 2kmr s ILE 34 Ca 0.31 -0.31 0.22 0.00 0.00 0.00 0.00 60.65 60.87 2kmr s ILE 34 Cb 0.03 -0.71 0.28 0.00 0.01 0.00 0.00 42.46 42.06 2kmr s ILE 34 CO 0.19 -0.38 2.13 0.50 0.00 0.00 0.00 174.94 177.39 2kmr h LYS 35 N 8.38 0.00 -0.25 2.79 1.63 -1.99 -3.17 116.57 123.97 2kmr h LYS 35 Ca -0.16 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 2kmr h LYS 35 Cb 1.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2kmr h LYS 35 CO 0.32 0.06 0.12 1.03 -3.45 0.00 0.00 179.45 177.54 2kmr h SER 36 N 0.00 0.32 -3.25 4.20 0.87 -2.01 -3.45 113.55 110.23 2kmr h SER 36 Ca -0.00 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.35 2kmr h SER 36 Cb 0.13 -0.08 -0.25 0.00 -0.44 0.00 0.00 62.40 61.76 2kmr h SER 36 CO 0.01 0.35 -0.22 -1.83 -0.53 0.00 0.00 176.83 174.62 2kmr s GLU 37 N -5.72 0.48 0.00 2.24 -1.05 -1.20 -5.07 118.70 108.38 2kmr s GLU 37 Ca -0.13 0.87 0.00 0.00 -0.15 0.00 0.00 54.97 55.55 2kmr s GLU 37 Cb 0.08 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2kmr s GLU 37 CO 0.71 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 177.19 2kmr n GLY 38 N 4.11 -1.34 3.74 -3.83 0.00 -1.26 -4.63 105.19 101.98 2kmr n GLY 38 Ca -0.22 0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 2kmr n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kmr s SER 39 N 0.00 4.00 0.66 1.61 1.04 -1.26 -5.05 113.70 114.70 2kmr s SER 39 Ca 0.00 1.88 -0.14 0.00 0.48 0.00 0.00 55.95 58.17 2kmr s SER 39 Cb 0.00 -2.50 -0.00 0.00 0.10 0.00 0.00 66.02 63.62 2kmr s SER 39 CO 0.00 -2.37 1.09 0.00 0.98 0.00 0.00 173.24 172.94 2kmr s PRO 41 N -4.30 1.71 0.27 0.00 0.04 -1.26 -4.98 135.00 126.48 2kmr s PRO 41 Ca 0.64 0.79 0.26 0.00 0.04 0.00 0.00 61.00 62.73 2kmr s PRO 41 Cb -0.18 -1.86 0.82 0.00 0.04 0.00 0.00 34.50 33.32 2kmr s PRO 41 CO 0.44 -1.92 1.75 1.79 0.04 0.00 0.00 177.00 179.10 2kmr h THR 42 N -1.32 0.00 -2.54 1.26 1.35 -2.08 -3.46 112.91 106.12 2kmr h THR 42 Ca -0.48 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2kmr h THR 42 Cb 1.27 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2kmr h THR 42 CO 0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 2kmr n GLY 43 N 0.92 5.46 0.65 5.82 0.00 -1.26 -5.38 105.19 111.40 2kmr n GLY 43 Ca 0.04 -1.99 0.08 0.00 0.00 0.00 0.00 46.02 44.15 2kmr n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71