#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 n GLU 2 N 0.00 0.00 -0.34 -1.24 -0.58 -1.26 -4.73 120.64 112.49 1ss3 n GLU 2 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1ss3 n GLU 2 Cb 0.00 -0.41 0.21 0.00 -0.57 0.00 0.00 31.44 30.67 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ss3 h ALA 3 N 0.00 1.39 -1.07 0.62 0.00 -2.04 0.18 119.26 118.33 1ss3 h ALA 3 Ca 0.00 0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.22 1ss3 h ALA 3 Cb 0.39 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1ss3 h ALA 3 CO 0.00 0.21 0.71 -0.56 0.00 0.00 0.00 179.25 179.62 1ss3 h GLN 4 N 0.95 0.26 0.06 0.00 3.07 -1.99 0.29 115.11 117.75 1ss3 h GLN 4 Ca 0.46 -0.02 -0.26 0.00 0.09 0.00 0.00 58.65 58.92 1ss3 h GLN 4 Cb 0.40 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 1ss3 h GLN 4 CO -0.25 0.17 -1.39 0.35 0.09 0.00 0.00 178.83 177.80 1ss3 h PHE 5 N 0.27 0.24 -0.59 0.06 3.04 -1.18 -3.16 116.94 115.61 1ss3 h PHE 5 Ca 0.58 -0.17 0.13 0.00 3.98 0.00 0.00 57.97 62.48 1ss3 h PHE 5 Cb 1.71 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 40.18 1ss3 h PHE 5 CO -0.00 1.55 0.41 -0.22 -2.02 0.00 0.00 178.31 178.02 1ss3 h LYS 6 N -0.56 0.24 0.00 1.11 3.64 0.05 0.46 116.57 121.51 1ss3 h LYS 6 Ca -0.33 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 58.79 1ss3 h LYS 6 Cb 1.58 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.35 1ss3 h LYS 6 CO -0.05 0.16 -0.99 1.49 -2.27 0.00 0.00 179.45 177.79 1ss3 h GLU 7 N 0.25 0.53 -0.28 1.90 4.81 -0.61 -1.33 114.58 119.86 1ss3 h GLU 7 Ca 0.28 -0.57 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 1ss3 h GLU 7 Cb 0.77 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1ss3 h GLU 7 CO -0.06 1.20 -0.22 0.00 -0.73 0.00 0.00 179.01 179.20 1ss3 h TYR 9 N 0.36 -0.33 0.15 0.00 5.03 -0.22 0.65 116.97 122.62 1ss3 h TYR 9 Ca 0.05 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1ss3 h TYR 9 Cb 0.77 0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1ss3 h TYR 9 CO 0.07 -0.14 -0.07 0.22 -1.32 0.00 0.00 178.16 176.92 1ss3 h ASP 10 N -0.45 -0.17 -0.35 -2.11 1.82 -1.29 0.18 116.42 114.05 1ss3 h ASP 10 Ca -0.04 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.51 1ss3 h ASP 10 Cb 0.34 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1ss3 h ASP 10 CO 0.06 -0.07 0.03 0.74 -1.61 0.00 0.00 179.24 178.39 1ss3 h THR 11 N -0.26 1.25 -0.44 2.25 2.02 -1.10 -1.61 112.91 115.01 1ss3 h THR 11 Ca -0.02 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.29 1ss3 h THR 11 Cb 0.21 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1ss3 h THR 11 CO 0.03 0.30 0.21 0.00 0.37 0.00 0.00 175.52 176.44 1ss3 h HIS 13 N 0.42 0.70 0.10 0.00 6.17 -0.13 0.52 115.15 122.93 1ss3 h HIS 13 Ca 0.19 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.29 1ss3 h HIS 13 Cb 0.12 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.83 1ss3 h HIS 13 CO -0.11 0.26 -0.05 -0.22 0.71 0.00 0.00 177.93 178.52 1ss3 h LYS 14 N 0.59 -0.13 0.00 5.26 3.64 -0.31 0.22 116.57 125.84 1ss3 h LYS 14 Ca 0.42 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1ss3 h LYS 14 Cb 0.77 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1ss3 h LYS 14 CO -0.17 -0.09 0.12 1.49 -2.27 0.00 0.00 179.45 178.53 1ss3 h GLU 15 N -0.14 0.00 0.06 1.90 4.22 -1.22 -0.62 114.58 118.79 1ss3 h GLU 15 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 1ss3 h GLU 15 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ss3 h GLU 15 CO 0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 179.01 176.82 1ss3 h SER 17 N -0.49 0.00 -0.89 0.00 0.87 -0.47 -0.88 113.55 111.70 1ss3 h SER 17 Ca -0.01 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.71 1ss3 h SER 17 Cb 0.07 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.96 1ss3 h SER 17 CO 0.01 0.00 0.57 -0.78 -0.53 0.00 0.00 176.83 176.11 1ss3 h ASP 18 N 0.00 0.59 0.00 6.23 3.58 -1.19 -0.79 116.42 124.84 1ss3 h ASP 18 Ca 0.01 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1ss3 h ASP 18 Cb 0.19 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1ss3 h ASP 18 CO -0.00 0.28 0.05 0.29 -2.88 0.00 0.00 179.24 176.98 1ss3 n LYS 19 N -4.56 0.05 -0.95 0.28 4.76 -0.33 -4.79 118.16 112.62 1ss3 n LYS 19 Ca 0.18 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 1ss3 n LYS 19 Cb 0.53 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1ss3 n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ss3 n GLY 20 N -1.40 0.43 3.84 0.72 0.00 -0.30 -5.06 105.19 103.42 1ss3 n GLY 20 Ca -0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1ss3 n GLY 20 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ss3 s ASN 21 N -2.78 2.69 0.46 1.61 0.01 -1.25 -5.06 114.94 110.62 1ss3 s ASN 21 Ca 0.00 0.44 -0.21 0.00 -0.71 0.00 0.00 52.86 52.38 1ss3 s ASN 21 Cb 0.00 -0.60 -0.09 0.00 0.41 0.00 0.00 41.25 40.97 1ss3 s ASN 21 CO 0.00 -3.01 1.04 -0.83 -1.51 0.00 0.00 177.10 172.78 1ss3 s GLY 22 N -4.56 2.56 0.10 0.66 0.00 -1.26 -4.84 107.32 99.98 1ss3 s GLY 22 Ca 0.72 0.62 -0.30 0.00 0.00 0.00 0.00 44.72 45.76 1ss3 s GLY 22 CO 0.54 0.97 1.62 0.74 0.00 0.00 0.00 173.10 176.96 1ss3 h PHE 23 N 1.82 -0.88 0.01 1.90 0.04 -1.97 0.12 116.94 117.98 1ss3 h PHE 23 Ca -0.49 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.31 1ss3 h PHE 23 Cb 1.22 0.35 -0.06 0.00 2.20 0.00 0.00 35.95 39.66 1ss3 h PHE 23 CO 0.57 -0.46 -0.43 1.15 -0.60 0.00 0.00 178.31 178.54 1ss3 h THR 24 N -0.67 0.13 -0.46 -1.55 2.02 -1.97 0.43 112.91 110.84 1ss3 h THR 24 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 1ss3 h THR 24 Cb 0.62 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1ss3 h THR 24 CO -0.07 0.00 0.08 0.15 0.37 0.00 0.00 175.52 176.04 1ss3 h PHE 25 N -0.59 0.12 -0.84 3.16 3.57 -1.94 0.21 116.94 120.63 1ss3 h PHE 25 Ca 0.04 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1ss3 h PHE 25 Cb 0.66 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1ss3 h PHE 25 CO -0.43 -0.01 0.55 0.00 -2.23 0.00 0.00 178.31 176.19 1ss3 h GLU 27 N 1.06 -0.20 -1.06 0.00 5.08 0.13 0.26 114.58 119.84 1ss3 h GLU 27 Ca 0.33 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 59.01 1ss3 h GLU 27 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1ss3 h GLU 27 CO -0.09 -0.14 0.81 0.52 -1.00 0.00 0.00 179.01 179.11 1ss3 h MET 28 N -0.27 0.00 0.01 2.33 2.86 -0.65 0.33 114.93 119.54 1ss3 h MET 28 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ss3 h MET 28 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1ss3 h MET 28 CO 0.04 0.00 -0.00 -0.22 1.06 0.00 0.00 176.91 177.78 1ss3 h LYS 29 N 0.00 -0.01 -0.96 1.72 1.63 -1.24 -3.26 116.57 114.44 1ss3 h LYS 29 Ca 0.50 0.00 0.28 0.00 -0.85 0.00 0.00 60.65 60.58 1ss3 h LYS 29 Cb 2.12 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.71 1ss3 h LYS 29 CO -0.01 -0.01 0.83 0.00 -3.45 0.00 0.00 179.45 176.82 1ss3 h ASP 31 N 0.00 -0.70 0.99 0.00 3.58 -0.54 -2.98 116.42 116.77 1ss3 h ASP 31 Ca 0.46 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.89 1ss3 h ASP 31 Cb 2.11 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 43.34 1ss3 h ASP 31 CO -0.00 -0.47 -0.19 0.74 -2.88 0.00 0.00 179.24 176.44 1ss3 h THR 32 N -0.89 0.45 0.00 2.25 2.02 -1.29 -3.34 112.91 112.11 1ss3 h THR 32 Ca -0.08 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1ss3 h THR 32 Cb 0.64 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1ss3 h THR 32 CO 0.14 0.18 0.00 -0.67 0.37 0.00 0.00 175.52 175.54 1ss3 n ASP 33 N -3.33 0.00 -1.96 4.18 2.03 0.16 -2.83 116.55 114.79 1ss3 n ASP 33 Ca 0.00 0.98 -0.12 0.00 0.52 0.00 0.00 54.79 56.18 1ss3 n ASP 33 Cb 0.42 -0.48 -0.12 0.00 -0.72 0.00 0.00 41.12 40.21 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ss3 s SER 35 N 1.78 -0.67 1.04 0.00 0.15 -1.13 -4.98 113.70 109.89 1ss3 s SER 35 Ca 0.53 -0.93 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1ss3 s SER 35 Cb 0.27 1.52 0.04 0.00 -1.71 0.00 0.00 66.02 66.14 1ss3 s SER 35 CO -0.02 -0.21 0.09 0.55 1.20 0.00 0.00 173.24 174.84 1ss3 n VAL 36 N 4.48 0.00 -3.19 4.45 3.14 -1.26 -4.84 118.33 121.11 1ss3 n VAL 36 Ca 0.10 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.50 1ss3 n VAL 36 Cb 0.53 -0.10 -0.01 0.00 -1.06 0.00 0.00 33.84 33.20 1ss3 n VAL 36 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1ss3 s LYS 37 N -3.17 0.72 -0.17 1.45 2.20 -1.26 -5.12 119.74 114.39 1ss3 s LYS 37 Ca 0.07 0.05 -0.07 0.00 -0.36 0.00 0.00 55.97 55.66 1ss3 s LYS 37 Cb -0.01 0.16 0.08 0.00 -1.51 0.00 0.00 37.83 36.54 1ss3 s LYS 37 CO 0.06 -1.13 0.37 0.34 -0.36 0.00 0.00 175.35 174.63 1ss3 s ASP 38 N 2.22 -0.18 -0.49 1.43 2.15 -1.26 -5.08 116.67 115.46 1ss3 s ASP 38 Ca 0.14 0.85 0.05 0.00 0.43 0.00 0.00 52.55 54.02 1ss3 s ASP 38 Cb -0.06 1.02 0.19 0.00 -0.30 0.00 0.00 42.92 43.77 1ss3 s ASP 38 CO -0.14 -0.22 0.44 0.52 -0.17 0.00 0.00 175.17 175.59 1ss3 n VAL 39 N 5.06 -0.27 -1.63 1.11 0.31 -1.26 -5.10 118.33 116.56 1ss3 n VAL 39 Ca -0.12 -3.96 -0.58 0.00 -0.01 0.00 0.00 64.34 59.67 1ss3 n VAL 39 Cb 0.51 -1.85 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 1ss3 n VAL 39 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ss3 n LYS 40 N 2.25 0.70 -1.68 5.55 2.85 -1.26 -4.86 118.16 121.70 1ss3 n LYS 40 Ca 0.26 0.25 -0.38 0.00 -1.05 0.00 0.00 58.31 57.40 1ss3 n LYS 40 Cb 0.46 -1.85 0.05 0.00 -0.65 0.00 0.00 35.03 33.04 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1ss3 n GLU 41 N 3.27 1.21 -2.05 -1.58 2.13 -1.26 -4.81 120.64 117.55 1ss3 n GLU 41 Ca 0.23 0.46 -0.27 0.00 0.66 0.00 0.00 57.16 58.23 1ss3 n GLU 41 Cb 0.11 -2.36 -0.06 0.00 0.27 0.00 0.00 31.44 29.40 1ss3 n GLU 41 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ss3 s LYS 42 N -2.89 2.48 0.30 5.31 2.20 -1.26 -4.93 119.74 120.96 1ss3 s LYS 42 Ca 0.75 -0.88 -0.27 0.00 -0.36 0.00 0.00 55.97 55.22 1ss3 s LYS 42 Cb -0.42 -5.18 -0.14 0.00 -1.51 0.00 0.00 37.83 30.58 1ss3 s LYS 42 CO 0.47 -3.83 0.93 1.47 -0.36 0.00 0.00 175.35 174.03 1ss3 n LEU 43 N 14.39 1.47 0.00 5.43 -0.00 -1.26 -4.66 117.00 132.37 1ss3 n LEU 43 Ca 0.43 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 57.59 1ss3 n LEU 43 Cb 0.47 -1.25 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 1ss3 n LEU 43 CO 0.65 -1.65 0.00 -0.62 -0.00 0.00 0.00 177.39 175.77 1ss3 n GLU 44 N 0.69 0.00 -1.48 1.47 -0.58 -1.26 -5.14 120.64 114.34 1ss3 n GLU 44 Ca 0.10 0.00 -0.58 0.00 -0.42 0.00 0.00 57.16 56.27 1ss3 n GLU 44 Cb 0.32 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.12 1ss3 n GLU 44 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1ss3 n ASN 45 N 0.00 -0.14 -3.57 1.62 6.94 -1.26 -4.95 115.26 113.89 1ss3 n ASN 45 Ca 0.00 1.15 -0.05 0.00 -0.02 0.00 0.00 54.58 55.66 1ss3 n ASN 45 Cb 0.00 -0.92 -0.02 0.00 -2.36 0.00 0.00 39.78 36.48 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1ss3 s TYR 46 N -0.11 -0.21 0.19 -2.53 1.13 -1.26 -5.17 117.35 109.38 1ss3 s TYR 46 Ca 0.88 0.10 0.10 0.00 -1.41 0.00 0.00 57.07 56.73 1ss3 s TYR 46 Cb -1.23 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 40.13 1ss3 s TYR 46 CO 0.57 -0.42 -0.16 -1.59 -2.51 0.00 0.00 175.55 171.44 1ss3 s LYS 47 N -2.81 1.84 1.04 -3.49 -2.85 -1.26 -5.15 119.74 107.06 1ss3 s LYS 47 Ca 0.08 -1.38 -0.17 0.00 -1.00 0.00 0.00 55.97 53.50 1ss3 s LYS 47 Cb -0.00 -2.03 0.25 0.00 -2.06 0.00 0.00 37.83 33.99 1ss3 s LYS 47 CO -0.06 0.42 1.00 -0.35 0.10 0.00 0.00 175.35 176.46 1ss3 n PRO 48 N 0.13 -2.56 0.09 1.78 -0.04 -1.26 -5.06 135.00 128.08 1ss3 n PRO 48 Ca -0.11 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1ss3 n PRO 48 Cb 0.56 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1ss3 n PRO 48 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ss3 n LYS 49 N -4.26 0.00 0.00 0.54 0.00 -1.26 -5.36 118.16 107.83 1ss3 n LYS 49 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.45 1ss3 n LYS 49 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.47 1ss3 n LYS 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67