#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk6 s LYS 3 N -3.98 1.35 0.00 0.00 3.01 -1.26 -4.90 119.74 113.96 1qk6 s LYS 3 Ca 0.37 -0.61 0.00 0.00 -1.01 0.00 0.00 55.97 54.71 1qk6 s LYS 3 Cb 0.05 -2.09 0.00 0.00 -1.01 0.00 0.00 37.83 34.78 1qk6 s LYS 3 CO 0.14 -1.82 0.00 0.41 0.51 0.00 0.00 175.35 174.60 1qk6 n GLY 4 N -3.26 1.41 3.93 -3.33 0.00 -1.26 -4.51 105.19 98.17 1qk6 n GLY 4 Ca 0.13 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 1qk6 n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qk6 s VAL 5 N 1.85 4.94 -1.53 1.61 1.01 -1.26 -4.29 120.40 122.72 1qk6 s VAL 5 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 1qk6 s VAL 5 Cb 0.00 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1qk6 s VAL 5 CO 0.00 -0.67 0.85 0.33 0.00 0.00 0.00 175.10 175.61 1qk6 n PHE 6 N -2.02 -2.07 -3.56 5.22 7.35 0.17 -4.93 117.46 117.62 1qk6 n PHE 6 Ca -0.02 0.86 -0.41 0.00 -0.76 0.00 0.00 57.45 57.12 1qk6 n PHE 6 Cb 0.56 -3.78 -0.11 0.00 0.35 0.00 0.00 39.48 36.50 1qk6 n PHE 6 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1qk6 s ASP 7 N -3.54 5.83 -0.18 -2.13 -1.08 -1.13 -4.76 116.67 109.67 1qk6 s ASP 7 Ca 0.54 -0.99 -0.38 0.00 -0.52 0.00 0.00 52.55 51.20 1qk6 s ASP 7 Cb -0.28 -2.06 -0.15 0.00 -1.46 0.00 0.00 42.92 38.98 1qk6 s ASP 7 CO 0.86 -0.41 1.74 0.00 0.52 0.00 0.00 175.17 177.88 1qk6 n ALA 8 N 5.04 0.08 -2.32 3.66 0.00 -1.26 0.43 120.51 126.14 1qk6 n ALA 8 Ca -0.12 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 1qk6 n ALA 8 Cb 0.46 -2.29 -0.09 0.00 0.00 0.00 0.00 19.45 17.53 1qk6 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qk6 s THR 10 N -4.12 5.11 0.17 0.00 2.01 -1.26 -4.38 115.64 113.17 1qk6 s THR 10 Ca 0.37 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.21 1qk6 s THR 10 Cb 0.06 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 1qk6 s THR 10 CO 0.12 0.32 1.08 -2.16 -0.69 0.00 0.00 174.62 173.29 1qk6 s PRO 11 N 0.57 4.61 0.00 4.92 0.04 -1.26 -3.03 135.00 140.84 1qk6 s PRO 11 Ca 0.30 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1qk6 s PRO 11 Cb -0.16 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1qk6 s PRO 11 CO 0.14 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1qk6 n GLY 12 N 2.07 3.31 0.05 0.56 0.00 -1.26 -4.83 105.19 105.09 1qk6 n GLY 12 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1qk6 n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qk6 n LYS 13 N -2.00 0.58 -3.06 1.61 5.02 -1.17 -5.02 118.16 114.12 1qk6 n LYS 13 Ca 0.00 -0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.21 1qk6 n LYS 13 Cb 0.00 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.39 1qk6 n LYS 13 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1qk6 n ASN 14 N -2.35 -7.53 -3.82 4.39 5.15 -1.24 -4.93 115.26 104.93 1qk6 n ASN 14 Ca -0.02 -0.17 -0.40 0.00 -0.60 0.00 0.00 54.58 53.39 1qk6 n ASN 14 Cb 0.54 -5.22 0.00 0.00 -0.53 0.00 0.00 39.78 34.57 1qk6 n ASN 14 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1qk6 n GLU 15 N -1.98 4.46 -3.60 1.20 -0.58 -1.26 -4.96 120.64 113.93 1qk6 n GLU 15 Ca -0.01 -4.61 -0.02 0.00 -0.42 0.00 0.00 57.16 52.11 1qk6 n GLU 15 Cb 0.52 -2.47 0.02 0.00 -0.57 0.00 0.00 31.44 28.94 1qk6 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qk6 h PRO 18 N -1.93 0.41 0.00 0.00 0.13 -2.00 -3.16 132.00 125.45 1qk6 h PRO 18 Ca -0.52 -0.37 -0.12 0.00 -0.87 0.00 0.00 66.00 64.12 1qk6 h PRO 18 Cb 1.32 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.53 1qk6 h PRO 18 CO 0.54 1.02 -0.56 -0.91 -0.23 0.00 0.00 178.00 177.86 1qk6 h ASN 19 N 0.26 0.00 -1.74 1.44 4.21 -2.00 -3.44 115.58 114.31 1qk6 h ASN 19 Ca -0.05 0.00 -0.43 0.00 1.21 0.00 0.00 56.30 57.03 1qk6 h ASN 19 Cb 1.41 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.64 1qk6 h ASN 19 CO 0.14 0.56 -0.16 -0.13 -1.29 0.00 0.00 177.43 176.55 1qk6 s ARG 20 N -3.65 2.64 0.03 0.81 0.52 -1.19 -4.48 118.95 113.63 1qk6 s ARG 20 Ca -0.01 -1.13 -0.07 0.00 -0.52 0.00 0.00 55.73 53.99 1qk6 s ARG 20 Cb 0.13 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 1qk6 s ARG 20 CO 0.75 -0.51 0.14 0.14 0.02 0.00 0.00 175.30 175.84 1qk6 s VAL 21 N -2.54 0.11 -0.15 3.52 -7.23 -0.67 -4.58 120.40 108.86 1qk6 s VAL 21 Ca 0.57 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 59.60 1qk6 s VAL 21 Cb -0.09 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 1qk6 s VAL 21 CO 0.36 -0.50 0.67 0.00 -0.31 0.00 0.00 175.10 175.32 1qk6 s SER 23 N 1.02 6.72 -0.22 0.00 0.15 -0.32 -4.86 113.70 116.18 1qk6 s SER 23 Ca 0.33 1.74 -0.17 0.00 0.70 0.00 0.00 55.95 58.55 1qk6 s SER 23 Cb -0.16 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.47 1qk6 s SER 23 CO 0.13 -0.51 -0.07 0.47 1.20 0.00 0.00 173.24 174.45 1qk6 n ASP 24 N -0.87 1.89 0.14 5.45 9.92 -1.26 -2.34 116.55 129.48 1qk6 n ASP 24 Ca 0.08 0.42 -0.01 0.00 -0.53 0.00 0.00 54.79 54.75 1qk6 n ASP 24 Cb 0.54 -0.89 0.21 0.00 -0.64 0.00 0.00 41.12 40.34 1qk6 n ASP 24 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1qk6 h LYS 25 N -1.00 0.02 0.03 -1.24 1.57 -1.99 -3.17 116.57 110.80 1qk6 h LYS 25 Ca -0.38 -0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.08 1qk6 h LYS 25 Cb 1.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1qk6 h LYS 25 CO -0.23 0.58 -1.71 0.45 -0.57 0.00 0.00 179.45 177.97 1qk6 h HIS 26 N 0.02 0.13 -0.31 -1.35 3.86 -1.99 -3.48 115.15 112.03 1qk6 h HIS 26 Ca -0.01 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 58.98 1qk6 h HIS 26 Cb 1.00 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.41 1qk6 h HIS 26 CO 0.00 1.18 -0.12 1.17 0.86 0.00 0.00 177.93 181.02 1qk6 n LYS 27 N -3.18 -0.51 -4.11 2.45 4.81 -0.99 -5.01 118.16 111.62 1qk6 n LYS 27 Ca -0.19 0.71 -0.11 0.00 -0.87 0.00 0.00 58.31 57.85 1qk6 n LYS 27 Cb 1.04 -4.48 -0.11 0.00 0.02 0.00 0.00 35.03 31.50 1qk6 n LYS 27 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 1qk6 s TRP 28 N -2.22 0.74 0.13 5.64 -2.14 -1.25 -1.30 118.94 118.54 1qk6 s TRP 28 Ca 0.00 -0.76 -0.31 0.00 2.66 0.00 0.00 56.10 57.70 1qk6 s TRP 28 Cb 0.00 -0.45 -0.08 0.00 -3.10 0.00 0.00 33.47 29.85 1qk6 s TRP 28 CO 0.00 -0.15 1.32 0.00 -2.66 0.00 0.00 176.95 175.46 1qk6 s LYS 30 N 0.76 1.08 0.91 0.00 0.00 0.46 0.46 119.74 123.41 1qk6 s LYS 30 Ca 0.61 -1.44 -0.12 0.00 0.00 0.00 0.00 55.97 55.02 1qk6 s LYS 30 Cb -0.35 0.29 0.14 0.00 0.00 0.00 0.00 37.83 37.91 1qk6 s LYS 30 CO 0.32 -0.35 1.13 -1.58 0.00 0.00 0.00 175.35 174.87 1qk6 s TRP 31 N -4.06 2.48 -0.15 1.78 0.52 -1.26 -1.66 118.94 116.58 1qk6 s TRP 31 Ca 0.27 0.91 0.18 0.00 0.02 0.00 0.00 56.10 57.48 1qk6 s TRP 31 Cb 0.06 -3.34 -0.25 0.00 -1.15 0.00 0.00 33.47 28.79 1qk6 s TRP 31 CO 0.05 -2.39 0.25 1.63 0.02 0.00 0.00 176.95 176.51 1qk6 n LYS 32 N -3.80 0.67 0.00 4.98 5.02 -1.26 -4.80 118.16 118.97 1qk6 n LYS 32 Ca 0.06 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1qk6 n LYS 32 Cb 0.59 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1qk6 n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77