#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkd n LYS 2 N 0.00 0.00 -1.93 0.03 3.00 -1.26 -5.07 118.16 112.93 2kkd n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2kkd n LYS 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2kkd n LYS 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kkd n LYS 3 N 0.75 -4.80 -1.69 1.64 4.01 -1.26 -4.85 118.16 111.96 2kkd n LYS 3 Ca 0.00 3.48 -0.05 0.00 -0.51 0.00 0.00 58.31 61.23 2kkd n LYS 3 Cb 0.00 -3.82 0.01 0.00 -0.51 0.00 0.00 35.03 30.71 2kkd n LYS 3 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2kkd n TYR 4 N 1.64 -2.28 -3.79 2.13 4.02 -1.23 -4.17 117.16 113.49 2kkd n TYR 4 Ca 0.00 -0.54 -0.10 0.00 -0.01 0.00 0.00 57.90 57.25 2kkd n TYR 4 Cb 0.00 -0.13 -0.07 0.00 -0.02 0.00 0.00 39.34 39.12 2kkd n TYR 4 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2kkd s VAL 5 N -0.16 0.10 0.19 -0.72 0.11 -1.10 -2.26 120.40 116.56 2kkd s VAL 5 Ca 0.12 -0.84 -0.25 0.00 -2.93 0.00 0.00 61.98 58.08 2kkd s VAL 5 Cb -0.01 -1.04 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 2kkd s VAL 5 CO 0.08 -0.47 0.78 0.00 -3.33 0.00 0.00 175.10 172.17 2kkd n THR 7 N 1.41 3.19 0.00 0.00 -2.24 0.39 -2.72 114.28 114.31 2kkd n THR 7 Ca -0.05 -2.33 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 2kkd n THR 7 Cb 0.49 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2kkd n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kkd n VAL 8 N -0.20 0.00 0.00 2.28 0.31 -1.26 -4.99 118.33 114.46 2kkd n VAL 8 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 2kkd n VAL 8 Cb 0.60 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2kkd n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kkd n GLY 10 N 2.39 1.15 2.50 0.00 0.00 -1.10 -4.94 105.19 105.20 2kkd n GLY 10 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2kkd n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2kkd n TYR 11 N 0.00 0.00 -2.18 1.61 9.36 -1.26 0.17 117.16 124.86 2kkd n TYR 11 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 2kkd n TYR 11 Cb 0.00 -0.76 -0.03 0.00 -0.63 0.00 0.00 39.34 37.92 2kkd n TYR 11 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2kkd s GLU 12 N -0.59 4.31 0.23 2.98 8.01 -1.26 -3.96 118.70 128.42 2kkd s GLU 12 Ca 0.00 2.05 -0.18 0.00 0.01 0.00 0.00 54.97 56.85 2kkd s GLU 12 Cb 0.00 -3.35 -0.08 0.00 -4.31 0.00 0.00 34.13 26.38 2kkd s GLU 12 CO 0.00 -0.48 0.70 -0.47 0.01 0.00 0.00 175.26 175.02 2kkd s TYR 13 N 1.51 3.58 -0.33 1.61 5.04 -0.96 -4.94 117.35 122.86 2kkd s TYR 13 Ca 0.65 1.29 -0.04 0.00 -2.44 0.00 0.00 57.07 56.53 2kkd s TYR 13 Cb -0.35 -2.56 0.05 0.00 0.35 0.00 0.00 41.96 39.45 2kkd s TYR 13 CO 0.29 0.29 0.07 -0.51 -1.34 0.00 0.00 175.55 174.36 2kkd s ASP 14 N -1.81 5.14 0.20 4.32 1.11 -1.26 -3.53 116.67 120.83 2kkd s ASP 14 Ca 0.45 -1.29 0.06 0.00 0.18 0.00 0.00 52.55 51.94 2kkd s ASP 14 Cb -0.15 -1.80 0.10 0.00 1.07 0.00 0.00 42.92 42.14 2kkd s ASP 14 CO 0.20 -0.33 1.45 1.55 1.18 0.00 0.00 175.17 179.23 2kkd h PRO 15 N 8.12 0.12 0.00 8.23 0.13 -1.85 0.31 132.00 147.05 2kkd h PRO 15 Ca -0.21 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kkd h PRO 15 Cb 1.07 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kkd h PRO 15 CO 0.59 0.84 0.00 0.00 -0.23 0.00 0.00 178.00 179.20 2kkd n ALA 16 N -2.44 2.04 -0.03 -0.56 0.00 -1.26 0.59 120.51 118.85 2kkd n ALA 16 Ca -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 2kkd n ALA 16 Cb 0.75 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 2kkd n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kkd n GLU 17 N -1.36 0.27 0.00 0.00 4.07 -1.03 -2.24 120.64 120.35 2kkd n GLU 17 Ca 0.08 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 2kkd n GLU 17 Cb 0.19 -0.97 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 2kkd n GLU 17 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kkd n GLY 18 N 2.40 0.14 3.15 8.31 0.00 0.10 -0.57 105.19 118.72 2kkd n GLY 18 Ca -0.12 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.41 2kkd n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kkd s ASP 19 N -4.00 -0.28 0.12 1.61 -1.08 -1.24 -4.48 116.67 107.32 2kkd s ASP 19 Ca 0.00 0.16 -0.07 0.00 -0.52 0.00 0.00 52.55 52.12 2kkd s ASP 19 Cb 0.00 1.23 -0.11 0.00 -1.46 0.00 0.00 42.92 42.58 2kkd s ASP 19 CO 0.00 -0.05 1.30 1.55 0.52 0.00 0.00 175.17 178.49 2kkd h PRO 20 N 7.92 0.55 -0.94 4.34 0.13 -1.92 1.45 132.00 143.52 2kkd h PRO 20 Ca -0.12 -0.53 0.26 0.00 -0.87 0.00 0.00 66.00 64.75 2kkd h PRO 20 Cb 1.18 0.14 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 2kkd h PRO 20 CO -0.16 1.16 0.03 -3.47 -0.23 0.00 0.00 178.00 175.33 2kkd n ASP 21 N -3.82 -0.10 -0.08 1.44 -0.08 -1.26 -0.97 116.55 111.68 2kkd n ASP 21 Ca -0.07 1.60 -0.08 0.00 -1.51 0.00 0.00 54.79 54.73 2kkd n ASP 21 Cb 0.81 -0.59 -0.12 0.00 2.34 0.00 0.00 41.12 43.55 2kkd n ASP 21 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2kkd n ASN 22 N -5.39 1.15 0.00 1.67 3.02 -1.23 -5.07 115.26 109.41 2kkd n ASN 22 Ca 0.23 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2kkd n ASN 22 Cb 0.74 0.86 0.00 0.00 -0.61 0.00 0.00 39.78 40.76 2kkd n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kkd n GLY 23 N 2.04 0.21 3.16 7.41 0.00 0.27 -5.11 105.19 113.18 2kkd n GLY 23 Ca -0.26 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2kkd n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kkd s VAL 24 N 0.00 0.67 0.26 1.61 1.01 0.42 -4.90 120.40 119.48 2kkd s VAL 24 Ca 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 61.98 60.18 2kkd s VAL 24 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2kkd s VAL 24 CO 0.00 -0.83 0.37 -1.59 0.00 0.00 0.00 175.10 173.05 2kkd s LYS 25 N -3.63 3.35 0.39 2.72 -2.85 -1.26 -3.60 119.74 114.86 2kkd s LYS 25 Ca 0.10 -0.82 -0.24 0.00 -1.00 0.00 0.00 55.97 54.00 2kkd s LYS 25 Cb 0.04 -2.86 -0.09 0.00 -2.06 0.00 0.00 37.83 32.86 2kkd s LYS 25 CO -0.04 0.36 1.06 -1.25 0.10 0.00 0.00 175.35 175.57 2kkd s PRO 26 N -4.01 4.20 0.00 1.78 0.04 0.27 -3.42 135.00 133.86 2kkd s PRO 26 Ca 0.36 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2kkd s PRO 26 Cb -0.09 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2kkd s PRO 26 CO 0.29 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2kkd n GLY 27 N 0.42 0.76 3.90 0.56 0.00 0.43 -4.83 105.19 106.44 2kkd n GLY 27 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2kkd n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kkd s THR 28 N -2.07 4.99 0.02 2.61 2.01 0.20 -4.84 115.64 118.55 2kkd s THR 28 Ca 0.00 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2kkd s THR 28 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2kkd s THR 28 CO 0.00 -0.41 0.08 -0.55 -0.69 0.00 0.00 174.62 173.05 2kkd s SER 29 N -3.31 5.64 0.18 3.53 0.15 -1.26 -4.11 113.70 114.53 2kkd s SER 29 Ca 0.45 0.11 -0.20 0.00 0.70 0.00 0.00 55.95 57.00 2kkd s SER 29 Cb -0.10 -1.59 0.12 0.00 -1.71 0.00 0.00 66.02 62.73 2kkd s SER 29 CO 0.32 0.25 1.60 0.15 1.20 0.00 0.00 173.24 176.75 2kkd h PHE 30 N 3.88 -0.81 -1.28 3.44 3.04 -1.96 0.73 116.94 123.98 2kkd h PHE 30 Ca -0.48 0.06 0.38 0.00 3.98 0.00 0.00 57.97 61.91 2kkd h PHE 30 Cb 1.18 0.43 -0.09 0.00 2.56 0.00 0.00 35.95 40.03 2kkd h PHE 30 CO 0.63 -0.36 0.87 0.22 -2.02 0.00 0.00 178.31 177.65 2kkd h ASP 31 N -0.16 0.19 -0.49 0.41 1.82 -1.99 1.55 116.42 117.75 2kkd h ASP 31 Ca 0.23 0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.86 2kkd h ASP 31 Cb 0.53 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.56 2kkd h ASP 31 CO -0.63 -0.03 0.05 -0.78 -1.61 0.00 0.00 179.24 176.25 2kkd h ASP 32 N 0.13 0.81 -1.98 2.28 1.82 0.07 -3.45 116.42 116.11 2kkd h ASP 32 Ca 0.69 -0.28 -0.59 0.00 -0.39 0.00 0.00 57.03 56.46 2kkd h ASP 32 Cb 2.33 -0.22 0.18 0.00 0.68 0.00 0.00 39.33 42.31 2kkd h ASP 32 CO -0.20 0.89 -1.16 0.18 -1.61 0.00 0.00 179.24 177.34 2kkd n LEU 33 N -4.38 -3.67 -4.77 2.28 4.77 0.53 -4.93 117.00 106.83 2kkd n LEU 33 Ca 0.01 0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 56.33 2kkd n LEU 33 Cb 0.28 -0.84 0.21 0.00 -2.33 0.00 0.00 43.42 40.74 2kkd n LEU 33 CO 0.41 -4.76 0.75 -2.16 -1.33 0.00 0.00 177.39 170.31 2kkd s PRO 34 N -1.01 -0.25 -0.06 3.23 0.04 -1.26 -4.98 135.00 130.70 2kkd s PRO 34 Ca 0.56 -0.23 -0.10 0.00 0.04 0.00 0.00 61.00 61.26 2kkd s PRO 34 Cb -0.49 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 2kkd s PRO 34 CO 0.66 -3.04 0.41 0.00 0.04 0.00 0.00 177.00 175.07 2kkd h ALA 35 N -2.09 -0.32 -0.68 8.56 0.00 -1.96 -3.15 119.26 119.61 2kkd h ALA 35 Ca -0.45 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 54.57 2kkd h ALA 35 Cb 1.26 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2kkd h ALA 35 CO 0.37 -0.30 0.85 0.38 0.00 0.00 0.00 179.25 180.54 2kkd h ASP 36 N -1.08 0.00 -3.72 0.00 2.03 -2.03 -3.40 116.42 108.22 2kkd h ASP 36 Ca -0.03 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.72 2kkd h ASP 36 Cb 0.28 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 38.89 2kkd h ASP 36 CO 0.05 0.00 0.67 1.87 -1.03 0.00 0.00 179.24 180.80 2kkd n TRP 37 N -3.37 2.69 -3.48 4.15 -0.00 -1.19 -4.99 117.44 111.24 2kkd n TRP 37 Ca 0.14 0.48 -0.14 0.00 -0.00 0.00 0.00 57.50 57.98 2kkd n TRP 37 Cb 1.08 -2.48 -0.04 0.00 -0.00 0.00 0.00 31.31 29.87 2kkd n TRP 37 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 2kkd s VAL 38 N -1.13 0.01 -0.77 5.87 -7.23 -1.26 -3.94 120.40 111.95 2kkd s VAL 38 Ca 0.55 -0.06 -0.36 0.00 -1.81 0.00 0.00 61.98 60.30 2kkd s VAL 38 Cb -0.50 -1.00 -0.20 0.00 0.56 0.00 0.00 36.38 35.24 2kkd s VAL 38 CO 0.62 -0.03 2.46 0.00 -0.31 0.00 0.00 175.10 177.84 2kkd n PRO 40 N 8.12 1.46 0.16 0.00 -0.04 -1.26 -0.24 135.00 143.20 2kkd n PRO 40 Ca 0.60 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2kkd n PRO 40 Cb 0.02 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2kkd n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kkd n VAL 41 N 2.57 0.00 -0.02 0.52 0.31 -1.26 -4.92 118.33 115.53 2kkd n VAL 41 Ca 0.31 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.68 2kkd n VAL 41 Cb 0.67 -0.39 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 2kkd n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kkd n GLY 43 N 1.80 0.57 3.51 0.00 0.00 0.67 -5.05 105.19 106.70 2kkd n GLY 43 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2kkd n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkd n ALA 44 N -1.68 -1.05 -1.79 4.61 0.00 -1.24 -4.36 120.51 115.00 2kkd n ALA 44 Ca 0.00 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 2kkd n ALA 44 Cb 0.00 -1.87 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 2kkd n ALA 44 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kkd s PRO 45 N -1.53 3.93 0.66 0.00 0.04 -1.26 0.20 135.00 137.04 2kkd s PRO 45 Ca 0.62 1.43 0.29 0.00 0.04 0.00 0.00 61.00 63.37 2kkd s PRO 45 Cb -0.68 -2.26 1.55 0.00 0.04 0.00 0.00 34.50 33.15 2kkd s PRO 45 CO 0.58 -0.33 1.88 1.57 0.04 0.00 0.00 177.00 180.75 2kkd h LYS 46 N 1.91 0.00 0.00 4.56 2.10 -1.87 1.88 116.57 125.16 2kkd h LYS 46 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2kkd h LYS 46 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2kkd h LYS 46 CO 0.60 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.92 2kkd n SER 47 N -2.93 0.34 -2.12 7.07 3.41 -1.26 -2.71 113.62 115.42 2kkd n SER 47 Ca -0.01 0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 58.92 2kkd n SER 47 Cb 0.42 -0.64 0.16 0.00 -0.26 0.00 0.00 64.21 63.90 2kkd n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kkd n GLU 48 N -1.84 2.30 -4.81 4.33 1.02 0.64 -4.91 120.64 117.36 2kkd n GLU 48 Ca 0.05 -3.10 -0.26 0.00 -0.02 0.00 0.00 57.16 53.83 2kkd n GLU 48 Cb 0.30 -2.16 -0.16 0.00 -0.02 0.00 0.00 31.44 29.40 2kkd n GLU 48 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2kkd s PHE 49 N -3.39 1.66 -0.08 -0.32 0.08 -1.10 0.15 117.98 114.98 2kkd s PHE 49 Ca 0.57 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.05 2kkd s PHE 49 Cb 0.48 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.83 2kkd s PHE 49 CO 0.07 -0.15 0.29 -2.00 -0.10 0.00 0.00 175.22 173.33 2kkd s GLU 50 N 0.01 0.42 0.01 0.44 2.12 -0.94 -4.97 118.70 115.79 2kkd s GLU 50 Ca -0.03 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 2kkd s GLU 50 Cb -0.11 0.20 -0.08 0.00 0.26 0.00 0.00 34.13 34.40 2kkd s GLU 50 CO 0.02 -0.08 1.81 0.00 -0.54 0.00 0.00 175.26 176.48 2kkd s ALA 51 N -0.26 3.61 0.00 6.30 0.00 -1.26 -2.72 121.76 127.43 2kkd s ALA 51 Ca -0.04 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2kkd s ALA 51 Cb -0.03 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2kkd s ALA 51 CO 0.01 -1.45 0.00 0.00 0.00 0.00 0.00 175.76 174.32