#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmo s LYS 2 N 0.00 3.79 0.02 1.97 3.01 -1.26 -5.11 119.74 122.17 2kmo s LYS 2 Ca 0.00 0.40 -0.06 0.00 -1.01 0.00 0.00 55.97 55.31 2kmo s LYS 2 Cb 0.00 -2.46 -0.05 0.00 -1.01 0.00 0.00 37.83 34.31 2kmo s LYS 2 CO 0.00 0.07 0.27 0.08 0.51 0.00 0.00 175.35 176.28 2kmo s VAL 3 N -2.21 5.30 0.39 3.17 1.01 -1.26 -5.09 120.40 121.72 2kmo s VAL 3 Ca 0.50 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 2kmo s VAL 3 Cb -0.10 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2kmo s VAL 3 CO 0.28 0.31 1.29 0.00 0.00 0.00 0.00 175.10 176.98 2kmo s ALA 5 N -1.24 2.28 0.18 0.00 0.00 -1.26 -4.93 121.76 116.80 2kmo s ALA 5 Ca 0.55 -2.12 0.07 0.00 0.00 0.00 0.00 51.96 50.46 2kmo s ALA 5 Cb -0.38 -4.59 -0.05 0.00 0.00 0.00 0.00 23.12 18.10 2kmo s ALA 5 CO 0.49 -4.31 -0.13 0.00 0.00 0.00 0.00 175.76 171.81 2kmo s PRO 7 N -3.62 3.16 0.00 0.00 0.04 -1.26 -4.98 135.00 128.34 2kmo s PRO 7 Ca 0.20 0.79 0.22 0.00 0.04 0.00 0.00 61.00 62.25 2kmo s PRO 7 Cb -0.00 -2.03 0.96 0.00 0.04 0.00 0.00 34.50 33.47 2kmo s PRO 7 CO 0.05 -0.90 1.71 1.17 0.04 0.00 0.00 177.00 179.06 2kmo n LYS 8 N -2.97 0.03 -1.74 4.56 3.00 -1.26 -4.92 118.16 114.87 2kmo n LYS 8 Ca 0.07 0.12 -0.42 0.00 -0.00 0.00 0.00 58.31 58.08 2kmo n LYS 8 Cb 0.54 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.05 2kmo n LYS 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kmo s ILE 9 N -2.95 2.01 -1.54 3.15 1.01 -1.26 -4.91 121.20 116.70 2kmo s ILE 9 Ca 0.12 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 2kmo s ILE 9 Cb 0.14 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2kmo s ILE 9 CO 0.39 0.00 2.64 0.00 0.00 0.00 0.00 174.94 177.98 2kmo n LEU 10 N 3.33 8.00 -3.44 2.97 -0.00 -1.26 -4.63 117.00 121.98 2kmo n LEU 10 Ca 0.13 -4.32 -0.27 0.00 -0.00 0.00 0.00 56.01 51.55 2kmo n LEU 10 Cb 0.36 -1.58 -0.08 0.00 -0.00 0.00 0.00 43.42 42.11 2kmo n LEU 10 CO 0.64 1.71 0.01 0.29 -0.00 0.00 0.00 177.39 180.04 2kmo n LYS 11 N 4.40 2.19 -0.90 1.47 4.76 -1.19 -5.09 118.16 123.81 2kmo n LYS 11 Ca 0.67 -4.45 -0.30 0.00 -2.87 0.00 0.00 58.31 51.37 2kmo n LYS 11 Cb 0.29 -2.12 0.17 0.00 -1.84 0.00 0.00 35.03 31.54 2kmo n LYS 11 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kmo s PRO 12 N -2.17 0.65 0.01 1.97 0.04 -1.04 -3.94 135.00 130.51 2kmo s PRO 12 Ca 0.38 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.37 2kmo s PRO 12 Cb 0.13 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2kmo s PRO 12 CO -0.04 -2.72 0.16 0.14 0.04 0.00 0.00 177.00 174.58 2kmo s VAL 13 N -2.73 0.09 -0.31 -0.36 -7.23 -1.22 -0.56 120.40 108.07 2kmo s VAL 13 Ca 0.66 -0.76 -0.19 0.00 -1.81 0.00 0.00 61.98 59.88 2kmo s VAL 13 Cb -0.21 -0.60 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 2kmo s VAL 13 CO 0.59 -0.42 0.54 0.00 -0.31 0.00 0.00 175.10 175.50 2kmo s GLY 15 N 1.67 1.60 0.42 0.00 0.00 0.08 -0.56 107.32 110.54 2kmo s GLY 15 Ca 0.21 -0.03 0.11 0.00 0.00 0.00 0.00 44.72 45.00 2kmo s GLY 15 CO 0.12 0.52 2.01 0.23 0.00 0.00 0.00 173.10 175.98 2kmo h SER 16 N -1.90 0.42 1.63 1.64 0.87 -1.25 -1.48 113.55 113.47 2kmo h SER 16 Ca -0.52 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2kmo h SER 16 Cb 1.30 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kmo h SER 16 CO 0.52 0.27 0.00 -0.78 -0.53 0.00 0.00 176.83 176.32 2kmo h ASP 17 N 0.48 0.00 0.00 6.23 3.58 -1.93 -3.48 116.42 121.30 2kmo h ASP 17 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2kmo h ASP 17 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kmo h ASP 17 CO -0.06 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.91 2kmo n GLY 18 N 0.81 0.31 3.75 -0.78 0.00 -0.56 -5.10 105.19 103.62 2kmo n GLY 18 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2kmo n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kmo s ARG 19 N -0.93 2.03 -0.04 1.61 3.52 -1.26 -4.64 118.95 119.23 2kmo s ARG 19 Ca 0.00 1.23 0.05 0.00 -0.13 0.00 0.00 55.73 56.88 2kmo s ARG 19 Cb 0.00 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.50 2kmo s ARG 19 CO 0.00 -1.82 -0.20 0.99 -0.81 0.00 0.00 175.30 173.46 2kmo s THR 20 N -2.86 2.57 0.37 4.11 2.01 -1.26 -0.74 115.64 119.84 2kmo s THR 20 Ca 0.62 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.76 2kmo s THR 20 Cb -0.18 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 2kmo s THR 20 CO 0.56 0.58 0.13 -0.31 -0.69 0.00 0.00 174.62 174.90 2kmo s TYR 21 N -0.56 1.77 0.10 4.92 2.02 -1.22 -5.02 117.35 119.36 2kmo s TYR 21 Ca 0.08 -1.27 -0.26 0.00 -0.37 0.00 0.00 57.07 55.24 2kmo s TYR 21 Cb -0.11 -1.10 -0.12 0.00 -0.40 0.00 0.00 41.96 40.24 2kmo s TYR 21 CO 0.01 -0.32 1.67 0.00 -1.57 0.00 0.00 175.55 175.33 2kmo h ALA 22 N 1.93 -0.34 -2.84 3.71 0.00 -1.92 -3.28 119.26 116.52 2kmo h ALA 22 Ca -0.35 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.56 2kmo h ALA 22 Cb 1.26 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2kmo h ALA 22 CO 0.57 -0.72 0.37 0.54 0.00 0.00 0.00 179.25 180.01 2kmo s ASN 23 N -4.88 -0.01 0.00 0.00 2.20 -1.25 -2.50 114.94 108.49 2kmo s ASN 23 Ca -0.15 -0.96 0.00 0.00 -0.94 0.00 0.00 52.86 50.81 2kmo s ASN 23 Cb 0.07 0.73 0.00 0.00 -2.00 0.00 0.00 41.25 40.05 2kmo s ASN 23 CO 0.65 -1.44 0.37 -1.54 -2.94 0.00 0.00 177.10 172.20 2kmo n SER 24 N -1.28 1.05 -0.00 3.54 3.41 -1.26 -2.47 113.62 116.62 2kmo n SER 24 Ca -0.06 -0.85 -0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2kmo n SER 24 Cb 0.60 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2kmo n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kmo h ILE 26 N -0.00 1.28 0.07 0.00 6.09 -1.89 -2.74 117.51 120.31 2kmo h ILE 26 Ca -0.00 -1.44 0.02 0.00 -1.37 0.00 0.00 64.86 62.06 2kmo h ILE 26 Cb 1.01 1.34 -0.03 0.00 0.47 0.00 0.00 36.82 39.60 2kmo h ILE 26 CO -0.00 0.48 -0.20 0.00 -3.07 0.00 0.00 178.15 175.36 2kmo h ALA 27 N 0.79 -0.30 -0.71 0.18 0.00 -1.84 0.08 119.26 117.46 2kmo h ALA 27 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2kmo h ALA 27 Cb 0.86 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2kmo h ALA 27 CO 0.08 -0.71 0.47 0.00 0.00 0.00 0.00 179.25 179.08 2kmo h ARG 28 N -0.35 0.82 0.00 0.00 3.08 -1.53 -1.75 114.38 114.65 2kmo h ARG 28 Ca 0.04 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 2kmo h ARG 28 Cb 0.39 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2kmo h ARG 28 CO -0.14 0.54 -0.84 0.00 -1.07 0.00 0.00 179.97 178.47 2kmo h ASN 30 N 0.00 0.00 0.00 0.00 2.35 -0.55 -3.48 115.58 113.91 2kmo h ASN 30 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2kmo h ASN 30 Cb 1.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.89 2kmo h ASN 30 CO 0.11 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 176.58 2kmo n GLY 31 N 0.03 1.12 3.45 2.83 0.00 -0.77 -5.09 105.19 106.76 2kmo n GLY 31 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2kmo n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kmo s VAL 32 N -2.00 3.24 0.80 1.61 -7.23 -0.73 -4.99 120.40 111.11 2kmo s VAL 32 Ca 0.00 -0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2kmo s VAL 32 Cb 0.00 -2.34 0.09 0.00 0.56 0.00 0.00 36.38 34.69 2kmo s VAL 32 CO 0.00 0.55 1.16 -0.94 -0.31 0.00 0.00 175.10 175.56 2kmo s SER 33 N -0.15 4.46 0.09 4.85 1.04 -1.26 -2.94 113.70 119.79 2kmo s SER 33 Ca -0.00 0.67 0.07 0.00 0.48 0.00 0.00 55.95 57.17 2kmo s SER 33 Cb -0.13 -1.16 -0.04 0.00 0.10 0.00 0.00 66.02 64.79 2kmo s SER 33 CO 0.03 -1.91 -0.10 0.27 0.98 0.00 0.00 173.24 172.51 2kmo s ILE 34 N -3.54 3.35 -0.07 -1.02 -5.25 -1.26 -0.78 121.20 112.63 2kmo s ILE 34 Ca 0.63 -1.23 0.09 0.00 -0.99 0.00 0.00 60.65 59.15 2kmo s ILE 34 Cb -0.10 -2.55 -0.14 0.00 2.95 0.00 0.00 42.46 42.62 2kmo s ILE 34 CO 0.48 0.15 0.10 1.17 -1.79 0.00 0.00 174.94 175.05 2kmo n LYS 35 N 0.82 1.74 -3.83 0.37 3.00 0.28 -4.76 118.16 115.77 2kmo n LYS 35 Ca -0.14 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.31 58.08 2kmo n LYS 35 Cb 0.52 -1.26 -0.02 0.00 0.00 0.00 0.00 35.03 34.28 2kmo n LYS 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2kmo s SER 36 N -3.92 -0.23 0.60 3.14 0.15 -1.20 -5.04 113.70 107.20 2kmo s SER 36 Ca -0.05 -0.57 -0.15 0.00 0.70 0.00 0.00 55.95 55.89 2kmo s SER 36 Cb 0.04 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 2kmo s SER 36 CO 0.42 -1.23 1.05 -1.61 1.20 0.00 0.00 173.24 173.06 2kmo s GLU 37 N -3.69 3.36 0.02 5.44 0.41 -1.26 -1.03 118.70 121.95 2kmo s GLU 37 Ca 0.12 1.11 0.00 0.00 -0.41 0.00 0.00 54.97 55.79 2kmo s GLU 37 Cb -0.05 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2kmo s GLU 37 CO 0.06 -0.77 0.00 0.41 -0.49 0.00 0.00 175.26 174.47 2kmo n GLY 38 N -1.28 -2.32 3.75 -1.39 0.00 0.27 -4.58 105.19 99.64 2kmo n GLY 38 Ca 0.08 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 2kmo n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kmo s SER 39 N -4.61 6.53 0.44 1.61 0.01 -1.26 -1.76 113.70 114.66 2kmo s SER 39 Ca 0.00 2.82 -0.22 0.00 1.31 0.00 0.00 55.95 59.86 2kmo s SER 39 Cb 0.00 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2kmo s SER 39 CO 0.00 -0.78 1.03 0.00 0.41 0.00 0.00 173.24 173.90 2kmo s PRO 41 N -2.95 2.22 0.48 0.00 0.04 -1.26 -4.96 135.00 128.57 2kmo s PRO 41 Ca 0.63 0.90 0.32 0.00 0.04 0.00 0.00 61.00 62.89 2kmo s PRO 41 Cb -0.17 -1.91 1.37 0.00 0.04 0.00 0.00 34.50 33.83 2kmo s PRO 41 CO 0.22 -1.59 1.95 1.15 0.04 0.00 0.00 177.00 178.76 2kmo h THR 42 N -1.08 0.00 -0.38 1.26 2.02 -1.97 -3.41 112.91 109.35 2kmo h THR 42 Ca -0.46 -0.38 0.20 0.00 0.77 0.00 0.00 66.41 66.54 2kmo h THR 42 Cb 1.24 1.30 -0.20 0.00 -1.74 0.00 0.00 68.15 68.75 2kmo h THR 42 CO 0.56 0.00 -0.02 -0.83 0.37 0.00 0.00 175.52 175.60 2kmo s GLY 43 N -4.00 -0.79 0.00 2.16 0.00 -1.26 -5.24 107.32 98.19 2kmo s GLY 43 Ca 0.01 2.19 0.00 0.00 0.00 0.00 0.00 44.72 46.92 2kmo s GLY 43 CO 0.48 3.95 0.42 4.51 0.00 0.00 0.00 173.10 182.46