#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 -4.48 0.00 -1.24 1.02 -1.26 -5.05 120.64 109.64 1ss3 n GLU 2 Ca 0.00 3.33 0.00 0.00 -0.02 0.00 0.00 57.16 60.47 1ss3 n GLU 2 Cb 0.00 -4.29 0.00 0.00 -0.02 0.00 0.00 31.44 27.13 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ss3 n ALA 3 N 1.59 0.29 0.14 0.62 0.00 -1.26 -4.63 120.51 117.26 1ss3 n ALA 3 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.56 1ss3 n ALA 3 Cb 0.12 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.34 1ss3 n ALA 3 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ss3 h GLN 4 N 0.00 0.00 0.07 0.00 4.20 -1.99 0.20 115.11 117.60 1ss3 h GLN 4 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1ss3 h GLN 4 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1ss3 h GLN 4 CO 0.00 0.00 -1.65 0.35 -0.67 0.00 0.00 178.83 176.86 1ss3 h PHE 5 N 0.00 0.27 -0.08 2.96 3.04 -1.96 -3.19 116.94 117.98 1ss3 h PHE 5 Ca 0.15 -0.20 0.02 0.00 3.98 0.00 0.00 57.97 61.92 1ss3 h PHE 5 Cb 0.85 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.35 1ss3 h PHE 5 CO 0.00 1.65 0.06 -0.22 -2.02 0.00 0.00 178.31 177.78 1ss3 h LYS 6 N -0.43 0.00 -0.01 1.11 3.11 -1.30 0.32 116.57 119.38 1ss3 h LYS 6 Ca -0.39 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.21 1ss3 h LYS 6 Cb 1.70 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.94 1ss3 h LYS 6 CO -0.05 0.00 -0.97 0.93 -2.81 0.00 0.00 179.45 176.55 1ss3 h GLU 7 N 0.00 0.56 -0.24 1.90 5.08 -0.86 -1.57 114.58 119.45 1ss3 h GLU 7 Ca 0.04 -0.59 -0.11 0.00 -1.00 0.00 0.00 59.36 57.70 1ss3 h GLU 7 Cb 0.15 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ss3 h GLU 7 CO -0.00 1.21 -0.29 0.00 -1.00 0.00 0.00 179.01 178.93 1ss3 h TYR 9 N 0.33 -0.19 0.22 0.00 5.03 -0.48 0.66 116.97 122.55 1ss3 h TYR 9 Ca 0.03 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1ss3 h TYR 9 Cb 0.86 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.20 1ss3 h TYR 9 CO 0.08 -0.06 -0.11 0.22 -1.32 0.00 0.00 178.16 176.97 1ss3 h ASP 10 N -0.28 -0.25 -0.36 -2.11 3.58 -1.33 0.93 116.42 116.61 1ss3 h ASP 10 Ca -0.02 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1ss3 h ASP 10 Cb 0.22 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1ss3 h ASP 10 CO 0.03 -0.08 0.10 0.74 -2.88 0.00 0.00 179.24 177.16 1ss3 h THR 11 N -0.41 1.21 -0.40 2.25 2.02 -1.07 -1.94 112.91 114.58 1ss3 h THR 11 Ca -0.03 -0.71 0.05 0.00 0.77 0.00 0.00 66.41 66.49 1ss3 h THR 11 Cb 0.31 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1ss3 h THR 11 CO 0.05 0.24 0.12 0.00 0.37 0.00 0.00 175.52 176.30 1ss3 h HIS 13 N 0.27 0.99 0.20 0.00 6.17 -0.27 0.47 115.15 122.97 1ss3 h HIS 13 Ca 0.19 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.29 1ss3 h HIS 13 Cb 0.19 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 29.80 1ss3 h HIS 13 CO -0.17 0.30 -0.23 -0.22 0.71 0.00 0.00 177.93 178.32 1ss3 h LYS 14 N 0.78 -0.42 0.00 5.26 3.64 -0.48 0.35 116.57 125.70 1ss3 h LYS 14 Ca 0.52 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1ss3 h LYS 14 Cb 0.79 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1ss3 h LYS 14 CO -0.30 -0.28 0.00 -1.91 -2.27 0.00 0.00 179.45 174.70 1ss3 n GLU 15 N -3.73 0.02 -0.06 1.90 2.13 -0.88 -2.53 120.64 117.49 1ss3 n GLU 15 Ca -0.05 0.41 -0.02 0.00 0.66 0.00 0.00 57.16 58.17 1ss3 n GLU 15 Cb 0.20 -1.55 -0.01 0.00 0.27 0.00 0.00 31.44 30.36 1ss3 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ss3 h SER 17 N -0.98 0.00 -0.92 0.00 0.87 -0.28 0.41 113.55 112.64 1ss3 h SER 17 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 1ss3 h SER 17 Cb 0.20 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.10 1ss3 h SER 17 CO 0.00 0.00 0.62 -0.78 -0.53 0.00 0.00 176.83 176.14 1ss3 h ASP 18 N 0.00 0.30 0.01 6.23 3.58 -1.60 0.83 116.42 125.76 1ss3 h ASP 18 Ca 0.17 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1ss3 h ASP 18 Cb 1.08 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1ss3 h ASP 18 CO -0.00 0.10 0.00 0.29 -2.88 0.00 0.00 179.24 176.75 1ss3 n LYS 19 N -4.46 0.03 -0.94 0.28 4.76 0.13 -4.79 118.16 113.18 1ss3 n LYS 19 Ca 0.20 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 1ss3 n LYS 19 Cb 0.80 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 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 -1.43 0.63 3.72 0.72 0.00 0.29 -5.04 105.19 104.07 1ss3 n GLY 20 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ss3 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ss3 s ASN 21 N -2.23 1.57 0.45 1.61 2.20 -1.25 -5.06 114.94 112.23 1ss3 s ASN 21 Ca 0.00 0.44 -0.13 0.00 -0.94 0.00 0.00 52.86 52.22 1ss3 s ASN 21 Cb 0.00 -0.56 -0.07 0.00 -2.00 0.00 0.00 41.25 38.62 1ss3 s ASN 21 CO 0.00 -3.70 0.87 -0.83 -2.94 0.00 0.00 177.10 170.49 1ss3 s GLY 22 N -4.31 2.02 0.14 0.45 0.00 -1.26 -4.80 107.32 99.55 1ss3 s GLY 22 Ca 0.73 -0.01 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 1ss3 s GLY 22 CO 0.55 0.21 1.71 0.27 0.00 0.00 0.00 173.10 175.85 1ss3 h PHE 23 N 1.16 -0.02 0.46 1.90 -0.00 -1.97 -1.17 116.94 117.30 1ss3 h PHE 23 Ca -0.47 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.50 1ss3 h PHE 23 Cb 1.19 0.05 -0.00 0.00 -0.00 0.00 0.00 35.95 37.18 1ss3 h PHE 23 CO 0.62 -0.05 -0.25 1.15 -0.00 0.00 0.00 178.31 179.78 1ss3 h THR 24 N 0.08 0.48 -0.50 0.88 2.02 -1.98 0.68 112.91 114.57 1ss3 h THR 24 Ca 0.13 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.37 1ss3 h THR 24 Cb 0.16 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1ss3 h THR 24 CO -0.21 0.00 0.17 0.15 0.37 0.00 0.00 175.52 176.00 1ss3 h PHE 25 N -0.67 0.30 -0.30 3.16 3.57 -1.96 -0.29 116.94 120.75 1ss3 h PHE 25 Ca -0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1ss3 h PHE 25 Cb 0.53 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1ss3 h PHE 25 CO -0.07 0.09 0.02 0.00 -2.23 0.00 0.00 178.31 176.12 1ss3 h GLU 27 N 0.44 -1.29 0.00 0.00 5.08 0.20 0.50 114.58 119.49 1ss3 h GLU 27 Ca 0.10 0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ss3 h GLU 27 Cb 0.26 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ss3 h GLU 27 CO 0.00 -0.86 0.00 -1.33 -1.00 0.00 0.00 179.01 175.82 1ss3 n MET 28 N -5.67 0.02 -0.06 2.33 2.81 -0.34 -1.53 117.12 114.70 1ss3 n MET 28 Ca -0.17 0.47 -0.05 0.00 -1.81 0.00 0.00 57.70 56.15 1ss3 n MET 28 Cb 0.53 -1.57 -0.02 0.00 -0.71 0.00 0.00 33.22 31.46 1ss3 n MET 28 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ss3 n LYS 29 N -1.61 0.34 -0.36 0.03 3.00 -0.79 -4.15 118.16 114.62 1ss3 n LYS 29 Ca 0.00 0.27 0.37 0.00 -0.00 0.00 0.00 58.31 58.96 1ss3 n LYS 29 Cb 0.04 -1.25 0.73 0.00 0.00 0.00 0.00 35.03 34.55 1ss3 n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ss3 h ASP 31 N 0.00 -1.06 0.65 0.00 1.82 -1.47 -2.47 116.42 113.88 1ss3 h ASP 31 Ca 0.61 0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 57.23 1ss3 h ASP 31 Cb 2.59 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 42.90 1ss3 h ASP 31 CO -0.01 -0.64 -0.37 0.74 -1.61 0.00 0.00 179.24 177.36 1ss3 h THR 32 N -1.02 0.99 0.00 2.25 2.02 -1.30 -3.31 112.91 112.55 1ss3 h THR 32 Ca -0.09 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1ss3 h THR 32 Cb 0.82 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1ss3 h THR 32 CO 0.08 0.36 0.00 -0.67 0.37 0.00 0.00 175.52 175.66 1ss3 n ASP 33 N -3.70 0.00 -3.73 4.18 -0.08 0.60 -3.60 116.55 110.22 1ss3 n ASP 33 Ca -0.01 0.85 -0.42 0.00 -1.51 0.00 0.00 54.79 53.70 1ss3 n ASP 33 Cb 0.46 -0.35 -0.00 0.00 2.34 0.00 0.00 41.12 43.57 1ss3 n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ss3 s SER 35 N 2.51 -0.20 1.05 0.00 0.15 -1.24 -4.94 113.70 111.04 1ss3 s SER 35 Ca 0.47 0.32 -0.15 0.00 0.70 0.00 0.00 55.95 57.29 1ss3 s SER 35 Cb 0.13 0.30 0.21 0.00 -1.71 0.00 0.00 66.02 64.96 1ss3 s SER 35 CO -0.07 -0.11 1.10 0.52 1.20 0.00 0.00 173.24 175.88 1ss3 n VAL 36 N 1.34 0.00 -2.20 4.45 0.31 -1.26 -4.95 118.33 116.02 1ss3 n VAL 36 Ca -0.08 -0.75 0.00 0.00 -0.01 0.00 0.00 64.34 63.50 1ss3 n VAL 36 Cb 0.57 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1ss3 n VAL 36 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ss3 n LYS 37 N -3.62 0.00 -2.25 5.55 4.81 -1.26 -5.08 118.16 116.31 1ss3 n LYS 37 Ca 0.14 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.31 1ss3 n LYS 37 Cb 0.50 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.59 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ss3 s ASP 38 N 2.00 5.44 -0.46 3.14 2.15 -1.26 -5.07 116.67 122.62 1ss3 s ASP 38 Ca 0.00 0.77 0.04 0.00 0.43 0.00 0.00 52.55 53.79 1ss3 s ASP 38 Cb 0.00 -1.67 0.17 0.00 -0.30 0.00 0.00 42.92 41.12 1ss3 s ASP 38 CO 0.00 -1.20 0.37 0.52 -0.17 0.00 0.00 175.17 174.68 1ss3 n VAL 39 N -2.73 -0.78 -1.56 1.11 0.31 -1.26 -5.11 118.33 108.31 1ss3 n VAL 39 Ca 0.05 -3.65 -0.50 0.00 -0.01 0.00 0.00 64.34 60.24 1ss3 n VAL 39 Cb 0.58 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.73 1ss3 n VAL 39 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ss3 n LYS 40 N 2.69 1.00 -0.88 5.55 4.76 -1.26 -4.93 118.16 125.10 1ss3 n LYS 40 Ca 0.28 0.36 -0.29 0.00 -2.87 0.00 0.00 58.31 55.79 1ss3 n LYS 40 Cb 0.46 -1.85 0.20 0.00 -1.84 0.00 0.00 35.03 32.00 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1ss3 s GLU 41 N -0.28 0.13 -0.54 1.97 -1.05 -1.26 -4.94 118.70 112.72 1ss3 s GLU 41 Ca 0.75 0.83 -0.25 0.00 -0.15 0.00 0.00 54.97 56.15 1ss3 s GLU 41 Cb -0.90 -1.68 0.04 0.00 -0.44 0.00 0.00 34.13 31.15 1ss3 s GLU 41 CO 0.52 -3.02 1.01 0.21 0.95 0.00 0.00 175.26 174.93 1ss3 s LYS 42 N -4.72 3.42 0.81 -4.83 2.36 -1.26 -5.01 119.74 110.50 1ss3 s LYS 42 Ca 0.66 -0.05 -0.16 0.00 -2.55 0.00 0.00 55.97 53.87 1ss3 s LYS 42 Cb -0.21 -4.02 -0.07 0.00 -1.05 0.00 0.00 37.83 32.48 1ss3 s LYS 42 CO 0.60 -1.50 0.06 -0.11 1.55 0.00 0.00 175.35 175.95 1ss3 n LEU 43 N 7.68 -1.86 -4.31 5.43 0.00 -1.26 -5.03 117.00 117.66 1ss3 n LEU 43 Ca 0.04 0.44 -0.16 0.00 0.00 0.00 0.00 56.01 56.33 1ss3 n LEU 43 Cb 0.48 -1.04 -0.10 0.00 0.00 0.00 0.00 43.42 42.76 1ss3 n LEU 43 CO 0.66 -4.24 -0.30 -0.70 0.00 0.00 0.00 177.39 172.81 1ss3 s GLU 44 N -2.50 1.31 0.16 1.96 2.12 -1.26 -5.16 118.70 115.34 1ss3 s GLU 44 Ca 0.56 -1.68 -0.24 0.00 0.36 0.00 0.00 54.97 53.97 1ss3 s GLU 44 Cb -0.30 -0.42 0.06 0.00 0.26 0.00 0.00 34.13 33.74 1ss3 s GLU 44 CO 0.68 -0.18 0.83 1.21 -0.54 0.00 0.00 175.26 177.27 1ss3 s ASN 45 N -3.28 -0.28 0.46 -1.70 3.84 -1.26 -5.18 114.94 107.53 1ss3 s ASN 45 Ca 0.31 -0.34 0.06 0.00 0.21 0.00 0.00 52.86 53.10 1ss3 s ASN 45 Cb 0.07 0.55 -0.02 0.00 -0.55 0.00 0.00 41.25 41.30 1ss3 s ASN 45 CO 0.09 -0.99 0.27 -0.47 -2.79 0.00 0.00 177.10 173.22 1ss3 s TYR 46 N -3.49 2.26 0.11 0.43 5.04 -1.26 -5.16 117.35 115.28 1ss3 s TYR 46 Ca 0.09 -0.68 0.06 0.00 -2.44 0.00 0.00 57.07 54.10 1ss3 s TYR 46 Cb -0.03 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.29 1ss3 s TYR 46 CO -0.00 -0.07 -0.14 -1.59 -1.34 0.00 0.00 175.55 172.40 1ss3 s LYS 47 N -4.06 0.98 0.62 4.97 -2.85 -1.26 -5.16 119.74 112.98 1ss3 s LYS 47 Ca 0.37 -1.18 -0.10 0.00 -1.00 0.00 0.00 55.97 54.06 1ss3 s LYS 47 Cb 0.01 -0.88 0.15 0.00 -2.06 0.00 0.00 37.83 35.05 1ss3 s LYS 47 CO 0.21 0.17 0.58 -0.35 0.10 0.00 0.00 175.35 176.06 1ss3 n PRO 48 N 0.69 -1.95 -3.72 1.78 -0.04 -1.26 -5.09 135.00 125.41 1ss3 n PRO 48 Ca -0.17 -0.92 -0.23 0.00 -0.04 0.00 0.00 63.50 62.15 1ss3 n PRO 48 Cb 0.56 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 33.17 1ss3 n PRO 48 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ss3 s LYS 49 N -4.30 2.40 0.00 0.54 2.20 -1.26 -5.36 119.74 113.97 1ss3 s LYS 49 Ca 0.37 -1.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 1ss3 s LYS 49 Cb -0.03 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1ss3 s LYS 49 CO 0.28 -0.32 0.06 0.09 -0.36 0.00 0.00 175.35 175.10