#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 s GLU 2 N 0.00 0.03 0.00 -1.24 1.03 -1.26 -4.86 118.70 112.41 1ss3 s GLU 2 Ca 0.00 0.02 0.00 0.00 0.03 0.00 0.00 54.97 55.02 1ss3 s GLU 2 Cb 0.00 -1.54 0.00 0.00 -0.80 0.00 0.00 34.13 31.79 1ss3 s GLU 2 CO 0.00 -0.60 0.00 0.00 -1.33 0.00 0.00 175.26 173.33 1ss3 n ALA 3 N 5.29 0.00 0.04 -0.84 0.00 -1.26 -4.87 120.51 118.86 1ss3 n ALA 3 Ca -0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.59 1ss3 n ALA 3 Cb 0.49 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.68 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 0.05 0.00 4.20 -1.99 0.15 115.11 117.52 1ss3 h GLN 4 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1ss3 h GLN 4 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ss3 h GLN 4 CO 0.00 0.00 -0.71 0.35 -0.67 0.00 0.00 178.83 177.80 1ss3 h PHE 5 N 0.00 0.19 -0.21 2.96 3.04 -1.92 -3.00 116.94 118.00 1ss3 h PHE 5 Ca 0.23 -0.14 0.06 0.00 3.98 0.00 0.00 57.97 62.10 1ss3 h PHE 5 Cb 1.06 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 1ss3 h PHE 5 CO 0.00 1.28 0.16 -0.22 -2.02 0.00 0.00 178.31 177.50 1ss3 h LYS 6 N -0.74 0.00 0.09 1.11 3.64 -1.35 0.36 116.57 119.67 1ss3 h LYS 6 Ca -0.16 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.93 1ss3 h LYS 6 Cb 1.34 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1ss3 h LYS 6 CO -0.00 0.00 -1.19 0.93 -2.27 0.00 0.00 179.45 176.92 1ss3 h GLU 7 N 0.00 0.58 -0.31 1.90 4.39 -0.94 -2.09 114.58 118.12 1ss3 h GLU 7 Ca 0.10 -0.75 -0.15 0.00 0.34 0.00 0.00 59.36 58.90 1ss3 h GLU 7 Cb 0.41 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1ss3 h GLU 7 CO -0.00 1.33 -0.40 0.00 -1.16 0.00 0.00 179.01 178.78 1ss3 h TYR 9 N 0.58 -0.27 0.13 0.00 5.03 -0.43 0.53 116.97 122.55 1ss3 h TYR 9 Ca 0.04 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1ss3 h TYR 9 Cb 0.99 0.09 0.00 0.00 1.55 0.00 0.00 36.73 39.36 1ss3 h TYR 9 CO 0.07 -0.07 -0.06 0.22 -1.32 0.00 0.00 178.16 177.00 1ss3 h ASP 10 N -0.42 -0.15 -0.49 -2.11 3.58 -1.42 0.54 116.42 115.95 1ss3 h ASP 10 Ca -0.03 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 1ss3 h ASP 10 Cb 0.32 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1ss3 h ASP 10 CO 0.05 -0.01 -0.04 0.74 -2.88 0.00 0.00 179.24 177.10 1ss3 h THR 11 N -0.28 1.27 -0.52 2.25 2.02 -1.15 -1.67 112.91 114.82 1ss3 h THR 11 Ca -0.02 -1.14 0.03 0.00 0.77 0.00 0.00 66.41 66.05 1ss3 h THR 11 Cb 0.23 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1ss3 h THR 11 CO 0.03 0.40 0.31 0.00 0.37 0.00 0.00 175.52 176.63 1ss3 h HIS 13 N 0.62 0.82 0.79 0.00 6.17 -0.12 0.59 115.15 124.02 1ss3 h HIS 13 Ca 0.21 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.28 1ss3 h HIS 13 Cb 0.03 -0.27 -0.00 0.00 2.52 0.00 0.00 27.41 29.69 1ss3 h HIS 13 CO -0.07 0.39 -0.49 0.87 0.71 0.00 0.00 177.93 179.34 1ss3 h LYS 14 N 0.77 -1.16 0.00 5.26 1.79 -0.51 0.26 116.57 122.98 1ss3 h LYS 14 Ca 0.36 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1ss3 h LYS 14 Cb 0.39 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1ss3 h LYS 14 CO -0.14 -0.77 0.00 -1.91 -1.08 0.00 0.00 179.45 175.55 1ss3 n GLU 15 N -5.59 0.09 -0.06 3.15 2.13 -0.91 -2.87 120.64 116.60 1ss3 n GLU 15 Ca -0.15 0.21 -0.02 0.00 0.66 0.00 0.00 57.16 57.86 1ss3 n GLU 15 Cb 0.50 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.71 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 -0.92 0.00 -1.00 0.00 0.87 -1.01 -0.17 113.55 111.32 1ss3 h SER 17 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 1ss3 h SER 17 Cb 0.25 0.00 -0.11 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 0.67 0.00 6.23 3.58 -1.64 -0.33 116.42 124.94 1ss3 h ASP 18 Ca 0.11 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1ss3 h ASP 18 Cb 0.68 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1ss3 h ASP 18 CO -0.00 0.19 0.04 0.29 -2.88 0.00 0.00 179.24 176.88 1ss3 n LYS 19 N -4.75 0.04 -0.95 0.28 4.76 -0.08 -4.79 118.16 112.67 1ss3 n LYS 19 Ca 0.24 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1ss3 n LYS 19 Cb 0.67 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 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 -1.42 0.64 3.60 0.72 0.00 -0.13 -5.04 105.19 103.56 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 -2.26 1.15 0.53 1.61 2.20 -1.26 -5.07 114.94 111.84 1ss3 s ASN 21 Ca 0.00 0.75 -0.10 0.00 -0.94 0.00 0.00 52.86 52.57 1ss3 s ASN 21 Cb 0.00 -1.09 -0.05 0.00 -2.00 0.00 0.00 41.25 38.11 1ss3 s ASN 21 CO 0.00 -4.00 0.92 -0.83 -2.94 0.00 0.00 177.10 170.25 1ss3 s GLY 22 N -3.76 1.72 0.06 0.45 0.00 -1.26 -4.79 107.32 99.74 1ss3 s GLY 22 Ca 0.70 -0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.95 1ss3 s GLY 22 CO 0.57 0.05 1.56 0.74 0.00 0.00 0.00 173.10 176.01 1ss3 h PHE 23 N 0.25 -0.52 0.01 1.90 0.04 -1.97 0.31 116.94 116.96 1ss3 h PHE 23 Ca -0.46 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.33 1ss3 h PHE 23 Cb 1.19 0.17 -0.05 0.00 2.20 0.00 0.00 35.95 39.46 1ss3 h PHE 23 CO 0.63 -0.28 -0.36 1.15 -0.60 0.00 0.00 178.31 178.86 1ss3 h THR 24 N -0.64 0.25 -0.89 -1.55 2.02 -1.98 0.24 112.91 110.35 1ss3 h THR 24 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1ss3 h THR 24 Cb 0.48 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 1ss3 h THR 24 CO 0.09 0.00 0.56 0.15 0.37 0.00 0.00 175.52 176.69 1ss3 h PHE 25 N -0.52 1.03 -0.36 3.16 3.57 -1.97 -0.31 116.94 121.55 1ss3 h PHE 25 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1ss3 h PHE 25 Cb 0.60 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1ss3 h PHE 25 CO -0.37 0.52 0.14 0.00 -2.23 0.00 0.00 178.31 176.37 1ss3 h GLU 27 N 0.51 -0.32 -0.62 0.00 5.08 0.11 0.25 114.58 119.58 1ss3 h GLU 27 Ca 0.12 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.69 1ss3 h GLU 27 Cb 0.12 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ss3 h GLU 27 CO -0.01 -0.22 0.58 1.98 -1.00 0.00 0.00 179.01 180.34 1ss3 h MET 28 N -0.44 0.00 0.00 2.33 4.05 -1.26 0.20 114.93 119.81 1ss3 h MET 28 Ca -0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1ss3 h MET 28 Cb 0.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1ss3 h MET 28 CO 0.06 0.00 -0.02 -0.22 0.23 0.00 0.00 176.91 176.96 1ss3 h LYS 29 N 0.00 0.00 -1.19 0.39 3.11 -1.34 -3.25 116.57 114.29 1ss3 h LYS 29 Ca 0.30 0.00 0.35 0.00 -2.81 0.00 0.00 60.65 58.48 1ss3 h LYS 29 Cb 1.45 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.63 1ss3 h LYS 29 CO -0.00 0.00 0.89 0.00 -2.81 0.00 0.00 179.45 177.52 1ss3 h ASP 31 N 0.00 -0.69 1.11 0.00 1.82 -0.79 -2.80 116.42 115.06 1ss3 h ASP 31 Ca 0.57 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.24 1ss3 h ASP 31 Cb 2.34 0.19 0.00 0.00 0.68 0.00 0.00 39.33 42.53 1ss3 h ASP 31 CO -0.01 -0.47 0.00 0.74 -1.61 0.00 0.00 179.24 177.90 1ss3 h THR 32 N -0.76 0.00 0.00 2.25 2.02 -1.37 -3.22 112.91 111.83 1ss3 h THR 32 Ca -0.07 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1ss3 h THR 32 Cb 0.59 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1ss3 h THR 32 CO 0.11 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.33 1ss3 n ASP 33 N -2.89 0.00 -2.09 4.18 -0.08 0.16 -3.36 116.55 112.46 1ss3 n ASP 33 Ca 0.02 0.91 -0.16 0.00 -1.51 0.00 0.00 54.79 54.04 1ss3 n ASP 33 Cb 0.32 -0.43 -0.09 0.00 2.34 0.00 0.00 41.12 43.27 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 1.22 6.67 1.11 0.00 1.04 -1.21 -4.95 113.70 117.57 1ss3 s SER 35 Ca 0.52 -2.29 -0.11 0.00 0.48 0.00 0.00 55.95 54.55 1ss3 s SER 35 Cb 0.29 -2.32 0.16 0.00 0.10 0.00 0.00 66.02 64.25 1ss3 s SER 35 CO -0.08 -0.87 0.65 0.52 0.98 0.00 0.00 173.24 174.44 1ss3 n VAL 36 N 4.89 0.00 -2.01 5.02 0.31 -1.26 -4.87 118.33 120.41 1ss3 n VAL 36 Ca 0.19 -0.34 -0.26 0.00 -0.01 0.00 0.00 64.34 63.92 1ss3 n VAL 36 Cb 0.48 -1.28 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 1ss3 n VAL 36 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ss3 s LYS 37 N -4.45 2.42 0.05 5.55 2.36 -1.26 -4.94 119.74 119.46 1ss3 s LYS 37 Ca 0.41 -0.58 -0.24 0.00 -2.55 0.00 0.00 55.97 53.01 1ss3 s LYS 37 Cb -0.03 -5.11 -0.06 0.00 -1.05 0.00 0.00 37.83 31.58 1ss3 s LYS 37 CO 0.30 -3.75 0.74 0.34 1.55 0.00 0.00 175.35 174.53 1ss3 s ASP 38 N 7.64 7.19 -0.46 1.43 -1.08 -1.26 -5.02 116.67 125.12 1ss3 s ASP 38 Ca 0.71 1.42 0.06 0.00 -0.52 0.00 0.00 52.55 54.22 1ss3 s ASP 38 Cb -0.05 -2.45 0.18 0.00 -1.46 0.00 0.00 42.92 39.14 1ss3 s ASP 38 CO 0.06 0.05 0.59 -0.69 0.52 0.00 0.00 175.17 175.70 1ss3 s VAL 39 N -0.16 -0.68 -0.34 1.11 1.01 -1.26 -5.12 120.40 114.95 1ss3 s VAL 39 Ca 0.37 -1.08 -0.43 0.00 0.00 0.00 0.00 61.98 60.84 1ss3 s VAL 39 Cb -0.20 -0.30 -0.18 0.00 0.00 0.00 0.00 36.38 35.69 1ss3 s VAL 39 CO 0.22 -0.29 1.61 2.29 0.00 0.00 0.00 175.10 178.93 1ss3 n LYS 40 N 3.40 0.54 -1.50 2.72 2.85 -1.26 -4.95 118.16 119.97 1ss3 n LYS 40 Ca 0.18 0.20 -0.30 0.00 -1.05 0.00 0.00 58.31 57.34 1ss3 n LYS 40 Cb 0.53 -1.78 0.19 0.00 -0.65 0.00 0.00 35.03 33.32 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1ss3 s GLU 41 N 2.90 0.05 -1.23 -1.58 0.41 -1.26 -4.94 118.70 113.04 1ss3 s GLU 41 Ca 1.00 -0.10 -0.15 0.00 -0.41 0.00 0.00 54.97 55.31 1ss3 s GLU 41 Cb -1.28 -1.75 0.13 0.00 -1.78 0.00 0.00 34.13 29.46 1ss3 s GLU 41 CO 0.72 -2.86 1.53 0.21 -0.49 0.00 0.00 175.26 174.37 1ss3 s LYS 42 N -5.54 4.04 0.26 1.61 2.20 -1.26 -4.99 119.74 116.05 1ss3 s LYS 42 Ca 0.70 -2.35 -0.27 0.00 -0.36 0.00 0.00 55.97 53.69 1ss3 s LYS 42 Cb -0.09 -5.23 -0.15 0.00 -1.51 0.00 0.00 37.83 30.85 1ss3 s LYS 42 CO 0.54 -1.94 0.72 1.28 -0.36 0.00 0.00 175.35 175.59 1ss3 n LEU 43 N 6.65 0.11 -4.22 5.43 4.77 -1.26 -4.99 117.00 123.48 1ss3 n LEU 43 Ca 0.41 1.13 -0.14 0.00 -0.03 0.00 0.00 56.01 57.37 1ss3 n LEU 43 Cb 0.44 -1.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.32 1ss3 n LEU 43 CO 0.67 -2.33 -0.41 -0.70 -1.33 0.00 0.00 177.39 173.29 1ss3 s GLU 44 N -1.28 0.98 0.00 3.23 2.12 -1.26 -5.15 118.70 117.35 1ss3 s GLU 44 Ca 0.61 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1ss3 s GLU 44 Cb -0.80 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.03 1ss3 s GLU 44 CO 0.58 0.07 0.00 0.09 -0.54 0.00 0.00 175.26 175.46 1ss3 n ASN 45 N 0.02 0.00 -1.42 -1.70 4.13 -1.26 -5.20 115.26 109.83 1ss3 n ASN 45 Ca -0.12 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.11 1ss3 n ASN 45 Cb 0.60 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.83 1ss3 n ASN 45 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ss3 n TYR 46 N 0.40 -0.82 -3.66 3.10 4.11 -1.26 -5.11 117.16 113.91 1ss3 n TYR 46 Ca 0.00 -0.48 -0.37 0.00 -0.00 0.00 0.00 57.90 57.05 1ss3 n TYR 46 Cb 0.00 0.14 -0.08 0.00 -0.00 0.00 0.00 39.34 39.40 1ss3 n TYR 46 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 1ss3 s LYS 47 N -2.13 2.97 0.44 -3.48 0.00 -1.26 -5.09 119.74 111.18 1ss3 s LYS 47 Ca 0.06 -2.91 -0.25 0.00 0.00 0.00 0.00 55.97 52.87 1ss3 s LYS 47 Cb -0.00 -3.87 -0.08 0.00 0.00 0.00 0.00 37.83 33.87 1ss3 s LYS 47 CO 0.04 -1.23 1.28 -1.25 0.00 0.00 0.00 175.35 174.20 1ss3 s PRO 48 N -0.70 3.81 0.10 1.78 0.04 -1.26 -4.94 135.00 133.84 1ss3 s PRO 48 Ca 0.22 2.09 -0.36 0.00 0.04 0.00 0.00 61.00 62.99 1ss3 s PRO 48 Cb -0.13 -2.62 -0.17 0.00 0.04 0.00 0.00 34.50 31.62 1ss3 s PRO 48 CO -0.08 -0.60 1.27 1.63 0.04 0.00 0.00 177.00 179.26 1ss3 n LYS 49 N -0.15 1.06 0.00 4.56 5.02 -1.26 -5.35 118.16 122.03 1ss3 n LYS 49 Ca 0.05 0.38 0.04 0.00 -2.02 0.00 0.00 58.31 56.77 1ss3 n LYS 49 Cb 0.45 -1.97 0.27 0.00 -0.02 0.00 0.00 35.03 33.75 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17