#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jn7 s SER 2 N 0.00 6.91 -0.30 1.61 0.15 -1.26 -5.06 113.70 115.75 1jn7 s SER 2 Ca 0.00 1.61 -0.01 0.00 0.70 0.00 0.00 55.95 58.25 1jn7 s SER 2 Cb 0.00 -2.51 0.13 0.00 -1.71 0.00 0.00 66.02 61.93 1jn7 s SER 2 CO 0.00 -0.33 0.26 0.00 1.20 0.00 0.00 173.24 174.37 1jn7 s ALA 3 N -2.14 -0.08 -0.23 5.45 0.00 -1.26 -5.01 121.76 118.49 1jn7 s ALA 3 Ca 0.60 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.69 1jn7 s ALA 3 Cb -0.09 -1.71 -0.17 0.00 0.00 0.00 0.00 23.12 21.15 1jn7 s ALA 3 CO 0.14 -1.77 0.01 0.00 0.00 0.00 0.00 175.76 174.14 1jn7 n ALA 4 N 5.09 0.95 0.00 0.00 0.00 -1.26 -4.98 120.51 120.31 1jn7 n ALA 4 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1jn7 n ALA 4 Cb 0.44 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1jn7 n ALA 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1jn7 n GLU 5 N -4.30 0.00 -1.20 0.00 0.28 -1.26 -5.04 120.64 109.13 1jn7 n GLU 5 Ca -0.40 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.36 1jn7 n GLU 5 Cb 0.78 0.00 0.18 0.00 1.43 0.00 0.00 31.44 33.82 1jn7 n GLU 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1jn7 n VAL 6 N 0.00 3.15 -2.94 3.84 0.31 -1.26 -4.90 118.33 116.53 1jn7 n VAL 6 Ca 0.00 -1.87 -0.43 0.00 -0.01 0.00 0.00 64.34 62.03 1jn7 n VAL 6 Cb 0.00 -0.48 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 1jn7 n VAL 6 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1jn7 s MET 7 N -3.21 3.26 0.35 5.55 -1.94 -1.26 -4.99 119.30 117.06 1jn7 s MET 7 Ca 0.55 -0.47 -0.02 0.00 -1.71 0.00 0.00 55.69 54.05 1jn7 s MET 7 Cb 0.47 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 33.24 1jn7 s MET 7 CO 0.11 -1.41 0.48 -1.59 -0.01 0.00 0.00 175.02 172.60 1jn7 s LYS 8 N 3.54 1.93 -0.58 2.03 0.00 -1.26 -4.97 119.74 120.43 1jn7 s LYS 8 Ca 0.25 -1.78 -0.00 0.00 0.00 0.00 0.00 55.97 54.44 1jn7 s LYS 8 Cb -0.15 0.44 0.00 0.00 0.00 0.00 0.00 37.83 38.13 1jn7 s LYS 8 CO 0.17 -0.80 0.48 1.63 0.00 0.00 0.00 175.35 176.83 1jn7 n LYS 9 N -0.58 -3.21 -3.67 1.78 5.02 -1.26 -4.82 118.16 111.42 1jn7 n LYS 9 Ca 0.01 0.41 -0.09 0.00 -2.02 0.00 0.00 58.31 56.62 1jn7 n LYS 9 Cb 0.61 -4.11 -0.09 0.00 -0.02 0.00 0.00 35.03 31.42 1jn7 n LYS 9 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1jn7 s TYR 10 N -3.17 -0.82 -0.23 2.13 6.14 -1.26 0.11 117.35 120.25 1jn7 s TYR 10 Ca 0.02 1.67 -0.15 0.00 0.64 0.00 0.00 57.07 59.24 1jn7 s TYR 10 Cb -0.01 0.43 -0.04 0.00 0.42 0.00 0.00 41.96 42.76 1jn7 s TYR 10 CO 0.35 -0.43 0.37 0.00 0.64 0.00 0.00 175.55 176.48 1jn7 h SER 12 N 7.65 0.00 0.21 0.00 4.64 -1.96 0.32 113.55 124.41 1jn7 h SER 12 Ca -0.35 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.66 1jn7 h SER 12 Cb 1.16 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1jn7 h SER 12 CO 0.69 0.22 -1.45 0.74 -0.87 0.00 0.00 176.83 176.16 1jn7 h THR 13 N 0.00 1.21 -0.02 2.95 2.02 -1.97 -3.34 112.91 113.76 1jn7 h THR 13 Ca -0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1jn7 h THR 13 Cb 1.12 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.51 1jn7 h THR 13 CO 0.03 0.80 -0.16 0.00 0.37 0.00 0.00 175.52 176.56 1jn7 n ASP 15 N 0.83 -4.61 -4.75 0.00 9.92 0.11 -4.96 116.55 113.08 1jn7 n ASP 15 Ca 0.12 -0.69 -0.22 0.00 -0.53 0.00 0.00 54.79 53.46 1jn7 n ASP 15 Cb 0.53 -3.71 -0.06 0.00 -0.64 0.00 0.00 41.12 37.25 1jn7 n ASP 15 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1jn7 s ILE 16 N -3.22 3.49 0.18 0.53 -1.09 -0.93 -4.92 121.20 115.24 1jn7 s ILE 16 Ca 0.60 -1.63 0.06 0.00 -2.23 0.00 0.00 60.65 57.45 1jn7 s ILE 16 Cb -0.31 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 1jn7 s ILE 16 CO 0.74 -0.26 -0.12 -0.94 -1.23 0.00 0.00 174.94 173.13 1jn7 s SER 17 N -3.83 2.20 -0.03 3.58 1.04 -1.26 -0.04 113.70 115.36 1jn7 s SER 17 Ca 0.36 -1.02 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 1jn7 s SER 17 Cb -0.05 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1jn7 s SER 17 CO 0.23 -0.26 0.07 -0.36 0.98 0.00 0.00 173.24 173.91 1jn7 s PHE 18 N -3.15 -0.08 -1.04 5.02 0.08 0.30 -4.92 117.98 114.20 1jn7 s PHE 18 Ca 0.20 0.21 0.13 0.00 0.12 0.00 0.00 56.93 57.59 1jn7 s PHE 18 Cb 0.01 0.01 0.58 0.00 -0.57 0.00 0.00 43.02 43.05 1jn7 s PHE 18 CO 0.04 -0.05 1.44 0.09 -0.10 0.00 0.00 175.22 176.64 1jn7 n ASN 19 N 3.17 4.02 -3.60 1.36 3.02 -1.26 -4.63 115.26 117.34 1jn7 n ASN 19 Ca -0.14 -2.44 -0.06 0.00 -0.03 0.00 0.00 54.58 51.91 1jn7 n ASN 19 Cb 0.59 -0.54 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 1jn7 n ASN 19 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1jn7 s TYR 20 N -1.92 -0.95 0.57 3.10 2.02 -1.26 -5.01 117.35 113.89 1jn7 s TYR 20 Ca 0.40 1.63 0.31 0.00 -0.37 0.00 0.00 57.07 59.04 1jn7 s TYR 20 Cb 0.27 0.39 1.45 0.00 -0.40 0.00 0.00 41.96 43.67 1jn7 s TYR 20 CO 0.17 -0.56 1.83 0.28 -1.57 0.00 0.00 175.55 175.70 1jn7 h VAL 21 N 6.13 0.40 -0.62 0.71 2.07 -1.96 0.41 116.25 123.39 1jn7 h VAL 21 Ca -0.17 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1jn7 h VAL 21 Cb 1.11 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1jn7 h VAL 21 CO 0.14 0.00 0.06 0.11 0.02 0.00 0.00 177.57 177.90 1jn7 h LYS 22 N 0.00 1.04 -0.48 1.57 6.56 -1.99 -1.63 116.57 121.65 1jn7 h LYS 22 Ca 0.37 -0.30 -0.14 0.00 -1.06 0.00 0.00 60.65 59.52 1jn7 h LYS 22 Cb 1.70 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 33.23 1jn7 h LYS 22 CO -0.00 0.99 -0.23 1.15 -2.06 0.00 0.00 179.45 179.30 1jn7 h THR 23 N 0.95 1.27 -0.08 -0.16 2.02 -0.61 -0.16 112.91 116.14 1jn7 h THR 23 Ca 0.18 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1jn7 h THR 23 Cb 0.48 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1jn7 h THR 23 CO 0.02 0.48 -0.10 0.22 0.37 0.00 0.00 175.52 176.51 1jn7 h TYR 24 N 0.85 0.11 -0.01 3.16 3.20 -1.24 0.14 116.97 123.18 1jn7 h TYR 24 Ca 0.11 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.79 1jn7 h TYR 24 Cb 0.82 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 39.06 1jn7 h TYR 24 CO 0.05 0.22 -0.71 -0.07 -1.64 0.00 0.00 178.16 176.02 1jn7 h LEU 25 N 0.11 0.64 -1.42 2.82 3.38 -0.90 -2.95 115.31 116.99 1jn7 h LEU 25 Ca 0.02 -0.74 -0.05 0.00 0.09 0.00 0.00 57.88 57.20 1jn7 h LEU 25 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1jn7 h LEU 25 CO 0.02 1.30 -0.12 0.00 0.09 0.00 0.00 178.44 179.72 1jn7 h ALA 26 N 0.35 1.53 -0.40 1.53 0.00 -0.42 -0.37 119.26 121.48 1jn7 h ALA 26 Ca -0.09 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1jn7 h ALA 26 Cb 1.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1jn7 h ALA 26 CO 0.14 0.34 -0.22 1.25 0.00 0.00 0.00 179.25 180.76 1jn7 h HIS 27 N 0.22 0.98 -0.07 0.00 -0.00 -0.74 0.34 115.15 115.88 1jn7 h HIS 27 Ca 0.05 -0.25 -0.19 0.00 -0.00 0.00 0.00 60.37 59.97 1jn7 h HIS 27 Cb 0.35 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1jn7 h HIS 27 CO 0.01 1.03 -0.75 -0.22 -0.00 0.00 0.00 177.93 177.99 1jn7 h LYS 28 N 0.66 0.41 0.00 5.26 1.63 -1.30 1.12 116.57 124.35 1jn7 h LYS 28 Ca 0.08 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1jn7 h LYS 28 Cb 0.79 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1jn7 h LYS 28 CO 0.06 0.99 -0.33 0.94 -3.45 0.00 0.00 179.45 177.66 1jn7 n GLN 29 N -3.83 0.18 -0.03 1.90 7.27 -0.18 0.11 117.38 122.79 1jn7 n GLN 29 Ca -0.05 0.09 -0.07 0.00 0.07 0.00 0.00 57.00 57.04 1jn7 n GLN 29 Cb 0.72 -1.65 -0.02 0.00 2.41 0.00 0.00 30.24 31.70 1jn7 n GLN 29 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1jn7 n PHE 30 N -1.92 0.00 -0.00 3.69 -0.00 0.12 -3.29 117.46 116.06 1jn7 n PHE 30 Ca 0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.33 1jn7 n PHE 30 Cb 0.40 -0.25 -0.10 0.00 -0.00 0.00 0.00 39.48 39.53 1jn7 n PHE 30 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1jn7 h TYR 31 N -0.25 0.72 -0.59 -5.13 3.20 0.12 -3.25 116.97 111.79 1jn7 h TYR 31 Ca -0.18 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1jn7 h TYR 31 Cb 1.15 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1jn7 h TYR 31 CO -0.02 1.17 0.00 0.72 -1.64 0.00 0.00 178.16 178.38 1jn7 n HIS 32 N -4.17 2.01 -4.25 -3.82 8.25 -0.84 -4.93 115.22 107.48 1jn7 n HIS 32 Ca -0.09 -0.71 -0.36 0.00 -0.26 0.00 0.00 57.72 56.30 1jn7 n HIS 32 Cb 0.68 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 1jn7 n HIS 32 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1jn7 n LYS 33 N 0.70 -2.80 -2.42 -0.41 3.00 -1.16 0.55 118.16 115.61 1jn7 n LYS 33 Ca 0.27 0.34 -0.12 0.00 -0.00 0.00 0.00 58.31 58.80 1jn7 n LYS 33 Cb 1.16 -4.95 -0.01 0.00 0.00 0.00 0.00 35.03 31.23 1jn7 n LYS 33 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1jn7 n ASN 34 N -2.67 -3.77 -3.74 3.14 5.15 0.30 -4.92 115.26 108.75 1jn7 n ASN 34 Ca 0.03 0.21 -0.14 0.00 -0.60 0.00 0.00 54.58 54.09 1jn7 n ASN 34 Cb 0.51 -3.22 -0.08 0.00 -0.53 0.00 0.00 39.78 36.46 1jn7 n ASN 34 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1jn7 s LYS 35 N -4.98 0.69 0.00 1.20 0.00 0.19 -4.94 119.74 111.89 1jn7 s LYS 35 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 55.97 56.01 1jn7 s LYS 35 Cb 0.00 0.31 0.92 0.00 0.00 0.00 0.00 37.83 39.06 1jn7 s LYS 35 CO 0.00 -0.19 1.34 -0.35 0.00 0.00 0.00 175.35 176.15