#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6x s GLY 3 N -3.73 2.07 0.55 0.00 0.00 0.64 -4.75 107.32 102.10 1s6x s GLY 3 Ca 0.36 0.31 -0.15 0.00 0.00 0.00 0.00 44.72 45.24 1s6x s GLY 3 CO 0.19 2.05 1.01 1.25 0.00 0.00 0.00 173.10 177.59 1s6x s LYS 4 N 2.52 3.76 0.56 2.90 2.47 -1.26 -1.39 119.74 129.30 1s6x s LYS 4 Ca 0.47 0.93 -0.18 0.00 -1.56 0.00 0.00 55.97 55.64 1s6x s LYS 4 Cb -0.17 -2.11 -0.14 0.00 -1.46 0.00 0.00 37.83 33.96 1s6x s LYS 4 CO 0.13 -0.43 -0.04 0.34 0.16 0.00 0.00 175.35 175.51 1s6x n PHE 5 N -1.96 -2.63 -0.94 4.03 7.35 -1.26 -1.15 117.46 120.91 1s6x n PHE 5 Ca 0.07 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1s6x n PHE 5 Cb 0.54 -1.72 0.00 0.00 0.35 0.00 0.00 39.48 38.65 1s6x n PHE 5 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 1s6x n MET 6 N 1.24 -0.28 -3.43 -4.13 1.56 -1.20 -4.90 117.12 105.97 1s6x n MET 6 Ca 0.08 0.07 -0.37 0.00 -0.27 0.00 0.00 57.70 57.20 1s6x n MET 6 Cb 0.48 -3.30 -0.06 0.00 2.15 0.00 0.00 33.22 32.49 1s6x n MET 6 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1s6x s TRP 7 N -2.42 3.56 0.26 1.12 0.52 -0.30 -4.85 118.94 116.83 1s6x s TRP 7 Ca 0.00 0.84 -0.31 0.00 0.02 0.00 0.00 56.10 56.65 1s6x s TRP 7 Cb 0.00 -2.42 -0.12 0.00 -1.15 0.00 0.00 33.47 29.78 1s6x s TRP 7 CO 0.00 0.32 1.59 1.63 0.02 0.00 0.00 176.95 180.51 1s6x n LYS 8 N 3.12 2.57 -4.47 4.98 5.02 -1.26 -2.45 118.16 125.67 1s6x n LYS 8 Ca -0.10 0.92 -0.24 0.00 -2.02 0.00 0.00 58.31 56.86 1s6x n LYS 8 Cb 0.52 -2.69 -0.08 0.00 -0.02 0.00 0.00 35.03 32.76 1s6x n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s6x n LYS 10 N -0.84 0.68 0.00 0.00 -0.00 -1.26 -4.95 118.16 111.78 1s6x n LYS 10 Ca -0.04 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1s6x n LYS 10 Cb 0.65 -1.60 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 1s6x n LYS 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1s6x n ASN 11 N -3.03 0.00 0.00 -5.58 4.13 -1.26 -5.00 115.26 104.53 1s6x n ASN 11 Ca -0.33 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.93 1s6x n ASN 11 Cb 1.08 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.32 1s6x n ASN 11 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1s6x n SER 12 N 0.00 0.00 0.00 6.41 7.64 -1.26 -3.62 113.62 122.79 1s6x n SER 12 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 1s6x n SER 12 Cb 0.00 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.43 1s6x n SER 12 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1s6x n ASN 13 N 0.00 0.00 0.00 6.43 2.85 -1.26 -3.01 115.26 120.27 1s6x n ASN 13 Ca 0.00 -1.43 0.00 0.00 -0.11 0.00 0.00 54.58 53.04 1s6x n ASN 13 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1s6x n ASN 13 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1s6x n ASP 14 N -0.65 0.56 -4.72 1.20 8.00 -1.26 -5.00 116.55 114.68 1s6x n ASP 14 Ca 0.06 -0.99 -0.39 0.00 0.71 0.00 0.00 54.79 54.18 1s6x n ASP 14 Cb 0.03 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 1s6x n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s6x n LYS 17 N -1.02 0.63 -2.06 0.00 4.81 -1.26 -0.80 118.16 118.46 1s6x n LYS 17 Ca 0.01 0.25 -0.17 0.00 -0.87 0.00 0.00 58.31 57.53 1s6x n LYS 17 Cb 0.63 -1.94 -0.03 0.00 0.02 0.00 0.00 35.03 33.71 1s6x n LYS 17 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s6x n ASP 18 N -0.28 -4.71 -4.03 3.14 9.92 -1.26 -4.92 116.55 114.40 1s6x n ASP 18 Ca 0.13 0.21 -0.14 0.00 -0.53 0.00 0.00 54.79 54.46 1s6x n ASP 18 Cb 0.48 -4.07 -0.12 0.00 -0.64 0.00 0.00 41.12 36.77 1s6x n ASP 18 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1s6x s LEU 19 N -5.20 2.17 0.02 0.64 2.96 0.02 0.08 118.68 119.37 1s6x s LEU 19 Ca 0.00 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1s6x s LEU 19 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.46 1s6x s LEU 19 CO 0.00 -0.11 -0.04 0.68 -1.32 0.00 0.00 176.35 175.56 1s6x s VAL 20 N -0.96 0.24 0.41 1.68 -7.23 -0.71 -4.55 120.40 109.28 1s6x s VAL 20 Ca -0.06 -0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 59.15 1s6x s VAL 20 Cb -0.07 -0.32 -0.08 0.00 0.56 0.00 0.00 36.38 36.46 1s6x s VAL 20 CO 0.00 -0.31 1.20 0.00 -0.31 0.00 0.00 175.10 175.69 1s6x s SER 22 N -1.06 2.49 0.58 0.00 0.01 -0.31 -4.77 113.70 110.64 1s6x s SER 22 Ca 0.58 -0.65 0.31 0.00 1.31 0.00 0.00 55.95 57.49 1s6x s SER 22 Cb -0.32 -0.37 1.78 0.00 0.21 0.00 0.00 66.02 67.32 1s6x s SER 22 CO 0.41 -0.33 2.21 -1.28 0.41 0.00 0.00 173.24 174.65 1s6x h SER 23 N 8.36 0.00 0.11 2.44 0.87 -1.94 1.62 113.55 125.01 1s6x h SER 23 Ca -0.15 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.22 1s6x h SER 23 Cb 1.14 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1s6x h SER 23 CO 0.30 0.04 -0.78 -0.09 -0.53 0.00 0.00 176.83 175.77 1s6x h ARG 24 N 0.00 0.33 0.00 2.24 2.43 -1.94 -3.22 114.38 114.22 1s6x h ARG 24 Ca -0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1s6x h ARG 24 Cb 0.12 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1s6x h ARG 24 CO 0.01 1.22 -0.15 0.91 -1.51 0.00 0.00 179.97 180.45 1s6x n TRP 25 N -4.14 0.26 -1.73 2.20 7.02 -0.78 -4.92 117.44 115.35 1s6x n TRP 25 Ca -0.13 0.08 -0.12 0.00 -1.02 0.00 0.00 57.50 56.31 1s6x n TRP 25 Cb 0.80 -0.57 -0.03 0.00 -2.42 0.00 0.00 31.31 29.09 1s6x n TRP 25 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 1s6x n LYS 26 N -1.73 -0.87 0.00 -0.99 2.85 0.55 -4.94 118.16 113.02 1s6x n LYS 26 Ca 0.06 0.76 0.00 0.00 -1.05 0.00 0.00 58.31 58.08 1s6x n LYS 26 Cb 0.37 -4.83 0.00 0.00 -0.65 0.00 0.00 35.03 29.92 1s6x n LYS 26 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1s6x n TRP 27 N -3.26 0.00 -1.84 5.58 2.14 -0.92 -4.48 117.44 114.66 1s6x n TRP 27 Ca -0.13 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.05 1s6x n TRP 27 Cb 0.48 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.96 1s6x n TRP 27 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1s6x s VAL 29 N 9.19 4.83 0.01 0.00 -7.23 0.30 -3.27 120.40 124.23 1s6x s VAL 29 Ca 0.83 0.60 -0.36 0.00 -1.81 0.00 0.00 61.98 61.24 1s6x s VAL 29 Cb -0.19 -3.66 -0.14 0.00 0.56 0.00 0.00 36.38 32.95 1s6x s VAL 29 CO 0.28 -0.25 1.61 0.18 -0.31 0.00 0.00 175.10 176.61 1s6x n LEU 30 N -0.59 2.66 -2.36 1.32 4.77 -1.26 -1.74 117.00 119.80 1s6x n LEU 30 Ca 0.02 1.07 -0.28 0.00 -0.03 0.00 0.00 56.01 56.78 1s6x n LEU 30 Cb 0.53 -1.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.34 1s6x n LEU 30 CO 0.45 -0.47 1.44 0.00 -1.33 0.00 0.00 177.39 177.48 1s6x n ALA 31 N 4.23 6.06 -3.25 -1.18 0.00 0.11 -4.82 120.51 121.67 1s6x n ALA 31 Ca 0.20 -2.95 -0.10 0.00 0.00 0.00 0.00 53.44 50.59 1s6x n ALA 31 Cb 0.24 -1.81 0.01 0.00 0.00 0.00 0.00 19.45 17.89 1s6x n ALA 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s6x n SER 32 N 0.03 -6.36 -3.17 0.00 2.88 -1.26 -4.70 113.62 101.04 1s6x n SER 32 Ca 0.48 0.30 -0.34 0.00 -1.33 0.00 0.00 58.87 57.97 1s6x n SER 32 Cb 0.53 -1.74 -0.04 0.00 -0.75 0.00 0.00 64.21 62.20 1s6x n SER 32 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1s6x n PRO 33 N 0.90 3.34 0.00 -1.46 -0.04 -1.26 -5.08 135.00 131.40 1s6x n PRO 33 Ca -0.02 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1s6x n PRO 33 Cb 0.53 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1s6x n PRO 33 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43