#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zjd h VAL 4 N 0.00 1.09 -0.38 6.31 3.04 -1.98 -3.31 116.25 121.02 1zjd h VAL 4 Ca 0.00 -2.78 -0.01 0.00 -1.01 0.00 0.00 66.70 62.90 1zjd h VAL 4 Cb 0.00 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.96 1zjd h VAL 4 CO 0.00 0.78 0.01 0.00 -1.01 0.00 0.00 177.57 177.35 1zjd n SER 6 N -0.15 0.17 -4.79 0.00 3.41 -1.26 -4.70 113.62 106.29 1zjd n SER 6 Ca 0.24 -0.54 -0.36 0.00 -0.26 0.00 0.00 58.87 57.96 1zjd n SER 6 Cb 1.01 0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 65.15 1zjd n SER 6 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1zjd s GLU 7 N -0.24 4.23 0.48 4.33 2.56 -1.25 -4.84 118.70 123.98 1zjd s GLU 7 Ca 0.00 1.38 -0.21 0.00 0.00 0.00 0.00 54.97 56.14 1zjd s GLU 7 Cb 0.00 -2.48 -0.08 0.00 2.00 0.00 0.00 34.13 33.57 1zjd s GLU 7 CO 0.00 -0.06 1.09 -0.65 -0.56 0.00 0.00 175.26 175.08 1zjd s GLN 8 N -2.60 3.75 0.02 4.30 -0.21 -1.26 -4.87 119.66 118.78 1zjd s GLN 8 Ca 0.58 1.53 -0.30 0.00 0.02 0.00 0.00 55.36 57.18 1zjd s GLN 8 Cb -0.18 -2.21 -0.08 0.00 1.00 0.00 0.00 33.01 31.54 1zjd s GLN 8 CO 0.23 -0.51 1.79 0.00 -2.12 0.00 0.00 175.29 174.69 1zjd s ALA 9 N -1.79 3.63 -0.14 6.09 0.00 -1.26 -4.91 121.76 123.37 1zjd s ALA 9 Ca 0.66 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.82 1zjd s ALA 9 Cb -0.21 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1zjd s ALA 9 CO 0.26 -1.40 -0.19 -1.21 0.00 0.00 0.00 175.76 173.22 1zjd s GLU 10 N 3.83 3.10 0.31 0.00 2.02 -1.26 -5.01 118.70 121.69 1zjd s GLU 10 Ca 0.80 -0.81 0.14 0.00 0.02 0.00 0.00 54.97 55.11 1zjd s GLU 10 Cb -0.39 -2.51 0.46 0.00 0.10 0.00 0.00 34.13 31.79 1zjd s GLU 10 CO 0.35 0.00 1.65 1.79 0.02 0.00 0.00 175.26 179.07 1zjd h THR 11 N 5.76 1.23 0.00 3.63 1.35 -1.93 -3.42 112.91 119.52 1zjd h THR 11 Ca -0.32 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1zjd h THR 11 Cb 1.19 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1zjd h THR 11 CO 0.56 0.52 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 1zjd n GLY 12 N 0.29 -0.19 0.22 5.82 0.00 -1.26 0.53 105.19 110.60 1zjd n GLY 12 Ca -0.01 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.34 1zjd n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1zjd h PRO 13 N 0.00 0.00 -7.06 1.61 0.11 -1.96 -3.44 132.00 121.26 1zjd h PRO 13 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1zjd h PRO 13 Cb 0.00 0.00 0.10 0.00 0.11 0.00 0.00 31.00 31.21 1zjd h PRO 13 CO 0.00 0.21 0.50 0.00 -0.21 0.00 0.00 178.00 178.50 1zjd n ARG 15 N -1.16 2.86 -3.58 0.00 3.00 -1.24 -4.34 116.66 112.20 1zjd n ARG 15 Ca 0.11 -3.51 -0.21 0.00 -0.01 0.00 0.00 57.85 54.24 1zjd n ARG 15 Cb 0.48 -2.28 -0.03 0.00 0.00 0.00 0.00 32.46 30.63 1zjd n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zjd s ALA 16 N -3.84 4.05 -0.89 7.54 0.00 -0.10 -5.07 121.76 123.46 1zjd s ALA 16 Ca 0.60 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 1zjd s ALA 16 Cb 0.48 -1.03 0.22 0.00 0.00 0.00 0.00 23.12 22.79 1zjd s ALA 16 CO -0.09 -0.21 0.78 -1.64 0.00 0.00 0.00 175.76 174.59 1zjd s MET 17 N -4.12 3.27 -0.29 0.00 -1.94 -1.26 -4.16 119.30 110.79 1zjd s MET 17 Ca 0.48 -3.27 -0.08 0.00 -1.71 0.00 0.00 55.69 51.10 1zjd s MET 17 Cb -0.03 -3.95 -0.00 0.00 2.01 0.00 0.00 34.83 32.85 1zjd s MET 17 CO 0.28 -1.26 0.11 0.42 -0.01 0.00 0.00 175.02 174.56 1zjd s ILE 18 N -1.34 4.31 -0.17 2.53 1.01 -0.53 -4.95 121.20 122.06 1zjd s ILE 18 Ca 0.27 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 1zjd s ILE 18 Cb -0.07 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1zjd s ILE 18 CO -0.12 0.12 1.58 -0.44 0.00 0.00 0.00 174.94 176.08 1zjd s SER 19 N 1.57 6.52 0.37 3.58 0.01 -1.26 -0.33 113.70 124.16 1zjd s SER 19 Ca 0.04 1.78 0.06 0.00 1.31 0.00 0.00 55.95 59.15 1zjd s SER 19 Cb -0.17 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1zjd s SER 19 CO 0.04 -1.11 0.23 -0.13 0.41 0.00 0.00 173.24 172.68 1zjd s ARG 20 N 4.37 1.86 0.07 12.44 0.52 -0.47 -4.91 118.95 132.83 1zjd s ARG 20 Ca 0.70 -2.11 0.06 0.00 -0.52 0.00 0.00 55.73 53.86 1zjd s ARG 20 Cb -0.27 -0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.17 1zjd s ARG 20 CO 0.27 -0.62 -0.16 -1.58 0.02 0.00 0.00 175.30 173.24 1zjd s TRP 21 N -3.32 1.37 0.04 -0.53 0.52 0.10 -1.44 118.94 115.68 1zjd s TRP 21 Ca 0.34 -0.43 -0.04 0.00 0.02 0.00 0.00 56.10 55.98 1zjd s TRP 21 Cb 0.02 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 1zjd s TRP 21 CO 0.23 0.09 0.06 1.52 0.02 0.00 0.00 176.95 178.88 1zjd s TYR 22 N -1.16 0.26 -0.19 -1.98 -0.85 -0.49 0.76 117.35 113.69 1zjd s TYR 22 Ca 0.01 -0.60 -0.19 0.00 -0.52 0.00 0.00 57.07 55.77 1zjd s TYR 22 Cb -0.10 -0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 1zjd s TYR 22 CO 0.03 -0.35 0.54 0.12 -1.52 0.00 0.00 175.55 174.36 1zjd s PHE 23 N -2.72 3.38 -0.33 -3.49 5.36 -1.26 -0.61 117.98 118.31 1zjd s PHE 23 Ca -0.04 0.82 -0.18 0.00 -0.96 0.00 0.00 56.93 56.57 1zjd s PHE 23 Cb -0.01 -2.69 -0.01 0.00 -0.34 0.00 0.00 43.02 39.97 1zjd s PHE 23 CO -0.05 -0.10 0.50 0.34 -1.46 0.00 0.00 175.22 174.45 1zjd s ASP 24 N 1.13 6.33 0.18 6.13 2.15 -0.65 -4.75 116.67 127.19 1zjd s ASP 24 Ca 0.25 0.09 -0.09 0.00 0.43 0.00 0.00 52.55 53.23 1zjd s ASP 24 Cb -0.16 -2.27 0.06 0.00 -0.30 0.00 0.00 42.92 40.26 1zjd s ASP 24 CO 0.10 -0.42 1.64 -0.37 -0.17 0.00 0.00 175.17 175.94 1zjd h VAL 25 N 5.56 1.27 0.18 1.11 -1.51 -1.85 0.12 116.25 121.12 1zjd h VAL 25 Ca -0.28 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 1zjd h VAL 25 Cb 1.13 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1zjd h VAL 25 CO 0.75 0.42 -0.16 0.74 -1.23 0.00 0.00 177.57 178.09 1zjd h THR 26 N 0.96 0.66 0.00 7.19 2.02 -1.95 -2.22 112.91 119.57 1zjd h THR 26 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1zjd h THR 26 Cb 0.55 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1zjd h THR 26 CO 0.03 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.59 1zjd h GLU 27 N -0.35 0.00 -1.36 6.66 4.39 -1.97 -3.46 114.58 118.48 1zjd h GLU 27 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1zjd h GLU 27 Cb 0.33 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.91 1zjd h GLU 27 CO -0.03 0.00 -0.31 0.41 -1.16 0.00 0.00 179.01 177.92 1zjd n GLY 28 N 0.29 0.61 3.54 -3.84 0.00 0.38 -4.97 105.19 101.21 1zjd n GLY 28 Ca 0.02 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1zjd n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zjd s LYS 29 N -3.97 1.41 0.46 1.61 -2.85 -1.05 -4.82 119.74 110.53 1zjd s LYS 29 Ca 0.00 -0.68 -0.22 0.00 -1.00 0.00 0.00 55.97 54.07 1zjd s LYS 29 Cb 0.00 0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 36.26 1zjd s LYS 29 CO 0.00 -0.62 1.04 0.00 0.10 0.00 0.00 175.35 175.87 1zjd s ALA 31 N -1.86 0.25 0.71 0.00 0.00 0.22 -4.88 121.76 116.20 1zjd s ALA 31 Ca 0.64 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1zjd s ALA 31 Cb -0.18 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1zjd s ALA 31 CO 0.23 -0.39 1.07 -2.14 0.00 0.00 0.00 175.76 174.52 1zjd s PRO 32 N -3.70 2.79 -0.22 0.00 0.02 -1.26 -1.39 135.00 131.24 1zjd s PRO 32 Ca 0.05 0.81 -0.30 0.00 0.02 0.00 0.00 61.00 61.58 1zjd s PRO 32 Cb 0.06 -1.98 0.16 0.00 0.02 0.00 0.00 34.50 32.75 1zjd s PRO 32 CO -0.09 -1.17 1.17 -0.59 -0.33 0.00 0.00 177.00 175.98 1zjd s PHE 33 N -3.11 -0.21 -0.22 6.54 -0.12 -0.52 -4.84 117.98 115.49 1zjd s PHE 33 Ca 0.58 0.36 -0.19 0.00 -0.05 0.00 0.00 56.93 57.63 1zjd s PHE 33 Cb -0.14 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1zjd s PHE 33 CO 0.54 -0.20 0.57 -0.06 -0.05 0.00 0.00 175.22 176.02 1zjd s PHE 34 N -1.11 3.33 -0.09 3.49 0.40 -1.26 -1.37 117.98 121.38 1zjd s PHE 34 Ca 0.03 0.80 -0.10 0.00 -0.60 0.00 0.00 56.93 57.06 1zjd s PHE 34 Cb -0.01 -2.75 -0.05 0.00 0.51 0.00 0.00 43.02 40.73 1zjd s PHE 34 CO -0.03 -0.20 0.23 -0.47 0.70 0.00 0.00 175.22 175.45 1zjd s TYR 35 N 2.01 3.63 -0.04 0.36 5.04 0.55 -4.45 117.35 124.45 1zjd s TYR 35 Ca 0.25 0.67 0.30 0.00 -2.44 0.00 0.00 57.07 55.85 1zjd s TYR 35 Cb -0.16 -2.08 1.04 0.00 0.35 0.00 0.00 41.96 41.11 1zjd s TYR 35 CO 0.09 0.67 1.86 0.78 -1.34 0.00 0.00 175.55 177.61 1zjd h GLY 36 N 5.05 0.00 0.00 8.97 0.00 -0.08 -1.41 103.07 115.60 1zjd h GLY 36 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1zjd h GLY 36 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1zjd n GLY 37 N 0.34 1.27 3.23 4.60 0.00 -1.26 -0.92 105.19 112.45 1zjd n GLY 37 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1zjd n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zjd n GLY 39 N -0.10 1.33 7.00 0.00 0.00 -1.26 -4.15 105.19 108.01 1zjd n GLY 39 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1zjd n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zjd n GLY 40 N 0.00 -0.20 3.24 -0.02 0.00 -1.26 -4.93 105.19 102.02 1zjd n GLY 40 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1zjd n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zjd s ASN 41 N -4.00 0.80 0.64 1.61 2.20 -1.26 -5.04 114.94 109.89 1zjd s ASN 41 Ca 0.00 -1.54 0.33 0.00 -0.94 0.00 0.00 52.86 50.70 1zjd s ASN 41 Cb 0.00 0.46 1.80 0.00 -2.00 0.00 0.00 41.25 41.51 1zjd s ASN 41 CO 0.00 -0.94 2.06 0.03 -2.94 0.00 0.00 177.10 175.31 1zjd h ARG 42 N 2.41 0.00 -3.40 3.55 2.47 -1.88 -3.25 114.38 114.29 1zjd h ARG 42 Ca -0.31 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 57.70 1zjd h ARG 42 Cb 1.24 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.51 1zjd h ARG 42 CO 0.46 0.00 3.03 -1.71 0.56 0.00 0.00 179.97 182.30 1zjd n ASN 43 N -3.21 6.19 -3.38 7.04 2.85 -1.20 -4.73 115.26 118.82 1zjd n ASN 43 Ca -0.00 -2.86 -0.13 0.00 -0.11 0.00 0.00 54.58 51.48 1zjd n ASN 43 Cb 0.33 -1.55 -0.09 0.00 1.24 0.00 0.00 39.78 39.71 1zjd n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1zjd s ASN 44 N 2.00 0.78 0.21 1.20 3.84 -1.23 -4.47 114.94 117.27 1zjd s ASN 44 Ca 0.53 -0.15 0.11 0.00 0.21 0.00 0.00 52.86 53.56 1zjd s ASN 44 Cb 0.15 0.85 -0.05 0.00 -0.55 0.00 0.00 41.25 41.65 1zjd s ASN 44 CO -0.06 -0.33 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.35 1zjd s PHE 45 N 2.46 2.14 0.13 0.43 0.40 0.23 -4.92 117.98 118.86 1zjd s PHE 45 Ca 0.10 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 55.94 1zjd s PHE 45 Cb -0.15 -1.02 -0.08 0.00 0.51 0.00 0.00 43.02 42.28 1zjd s PHE 45 CO -0.21 0.50 1.38 0.22 0.70 0.00 0.00 175.22 177.82 1zjd h ASP 46 N 2.95 0.89 -3.55 1.36 3.58 -1.91 0.29 116.42 120.02 1zjd h ASP 46 Ca -0.43 -0.52 -0.39 0.00 0.42 0.00 0.00 57.03 56.10 1zjd h ASP 46 Cb 1.22 -0.26 -0.14 0.00 1.72 0.00 0.00 39.33 41.87 1zjd h ASP 46 CO 0.52 1.31 -0.72 0.42 -2.88 0.00 0.00 179.24 177.89 1zjd s THR 47 N -3.93 1.47 0.11 2.25 -4.23 -1.26 -4.65 115.64 105.41 1zjd s THR 47 Ca -0.10 -2.14 -0.17 0.00 -1.18 0.00 0.00 61.69 58.10 1zjd s THR 47 Cb 0.10 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1zjd s THR 47 CO 0.89 -0.66 1.61 -0.08 -0.54 0.00 0.00 174.62 175.84 1zjd h GLU 48 N 2.65 0.54 -0.68 3.99 4.81 -1.97 -1.82 114.58 122.10 1zjd h GLU 48 Ca -0.37 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1zjd h GLU 48 Cb 1.21 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1zjd h GLU 48 CO 0.63 0.60 0.41 0.93 -0.73 0.00 0.00 179.01 180.85 1zjd h GLU 49 N 0.39 0.92 -0.38 1.92 3.07 -1.98 0.18 114.58 118.70 1zjd h GLU 49 Ca 0.10 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1zjd h GLU 49 Cb 0.31 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1zjd h GLU 49 CO 0.00 0.65 0.08 -0.92 -1.40 0.00 0.00 179.01 177.43 1zjd h TYR 50 N 0.92 0.64 -0.44 4.33 3.20 -1.95 0.34 116.97 124.00 1zjd h TYR 50 Ca 0.24 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1zjd h TYR 50 Cb -0.03 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 1zjd h TYR 50 CO -0.02 0.63 0.23 0.00 -1.64 0.00 0.00 178.16 177.37 1zjd h MET 52 N 0.46 0.00 -0.18 0.00 2.86 -0.30 0.21 114.93 117.99 1zjd h MET 52 Ca 0.19 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 1zjd h MET 52 Cb 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1zjd h MET 52 CO -0.12 0.37 -0.38 0.00 1.06 0.00 0.00 176.91 177.84 1zjd h ALA 53 N 1.63 1.02 0.06 6.32 0.00 0.78 1.09 119.26 130.16 1zjd h ALA 53 Ca -0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 1zjd h ALA 53 Cb 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1zjd h ALA 53 CO 0.05 0.60 -1.82 0.28 0.00 0.00 0.00 179.25 178.36 1zjd h VAL 54 N 0.33 0.77 0.00 0.00 2.07 -0.82 -3.42 116.25 115.19 1zjd h VAL 54 Ca 0.03 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1zjd h VAL 54 Cb 0.82 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1zjd h VAL 54 CO 0.07 0.68 -0.64 0.00 0.02 0.00 0.00 177.57 177.69 1zjd s GLY 56 N -1.63 1.51 0.63 0.00 0.00 0.38 -4.96 107.32 103.24 1zjd s GLY 56 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 44.72 44.26 1zjd s GLY 56 CO 0.00 0.37 0.89 -1.35 0.00 0.00 0.00 173.10 173.01 1zjd s SER 57 N -2.94 5.05 -0.49 1.64 1.04 -1.26 -4.90 113.70 111.84 1zjd s SER 57 Ca 0.68 0.23 -0.40 0.00 0.48 0.00 0.00 55.95 56.94 1zjd s SER 57 Cb -0.20 -1.00 -0.17 0.00 0.10 0.00 0.00 66.02 64.76 1zjd s SER 57 CO 0.61 -1.36 2.21 0.00 0.98 0.00 0.00 173.24 175.68 1zjd n ALA 58 N -2.63 0.52 1.16 5.32 0.00 -1.26 -5.04 120.51 118.57 1zjd n ALA 58 Ca 0.08 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1zjd n ALA 58 Cb 0.60 -2.27 0.23 0.00 0.00 0.00 0.00 19.45 18.01 1zjd n ALA 58 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01