#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 0.15 0.00 -1.24 1.03 -1.26 -4.96 118.70 112.42 1ss3 s GLU 2 Ca 0.00 0.35 0.00 0.00 0.03 0.00 0.00 54.97 55.35 1ss3 s GLU 2 Cb 0.00 0.21 0.00 0.00 -0.80 0.00 0.00 34.13 33.54 1ss3 s GLU 2 CO 0.00 -0.08 0.00 0.00 -1.33 0.00 0.00 175.26 173.85 1ss3 n ALA 3 N 4.92 0.00 0.19 -0.84 0.00 -1.26 -4.82 120.51 118.70 1ss3 n ALA 3 Ca -0.08 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.55 1ss3 n ALA 3 Cb 0.54 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.80 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 1.08 -1.99 0.20 115.11 114.47 1ss3 h GLN 4 Ca 0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 1ss3 h GLN 4 Cb 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1ss3 h GLN 4 CO 0.00 0.00 -1.73 0.34 -0.95 0.00 0.00 178.83 176.49 1ss3 n PHE 5 N -3.54 1.08 0.25 2.96 -0.00 -1.26 -3.25 117.46 113.70 1ss3 n PHE 5 Ca 0.03 0.32 0.12 0.00 -0.00 0.00 0.00 57.45 57.93 1ss3 n PHE 5 Cb 0.45 -1.13 0.77 0.00 -0.00 0.00 0.00 39.48 39.57 1ss3 n PHE 5 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1ss3 h LYS 6 N -0.41 0.00 0.13 -4.13 3.64 -1.32 0.35 116.57 114.82 1ss3 h LYS 6 Ca -0.41 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.70 1ss3 h LYS 6 Cb 1.72 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.54 1ss3 h LYS 6 CO -0.06 0.00 -1.23 0.93 -2.27 0.00 0.00 179.45 176.82 1ss3 h GLU 7 N 0.00 0.30 -0.17 1.90 5.08 -0.87 -2.09 114.58 118.74 1ss3 h GLU 7 Ca 0.03 -0.49 -0.18 0.00 -1.00 0.00 0.00 59.36 57.71 1ss3 h GLU 7 Cb 0.13 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1ss3 h GLU 7 CO -0.00 1.23 -0.59 0.00 -1.00 0.00 0.00 179.01 178.64 1ss3 h TYR 9 N 0.39 -0.12 0.03 0.00 5.03 -0.47 0.72 116.97 122.55 1ss3 h TYR 9 Ca -0.03 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1ss3 h TYR 9 Cb 1.22 0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.54 1ss3 h TYR 9 CO 0.09 0.07 -0.02 0.22 -1.32 0.00 0.00 178.16 177.21 1ss3 h ASP 10 N -0.30 -0.04 -0.34 -2.11 3.58 -1.44 0.14 116.42 115.91 1ss3 h ASP 10 Ca -0.01 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 1ss3 h ASP 10 Cb 0.25 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1ss3 h ASP 10 CO 0.02 0.13 0.03 0.74 -2.88 0.00 0.00 179.24 177.27 1ss3 h THR 11 N -0.20 1.25 -0.45 2.25 2.02 -1.14 -2.03 112.91 114.62 1ss3 h THR 11 Ca -0.00 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.31 1ss3 h THR 11 Cb 0.18 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1ss3 h THR 11 CO 0.01 0.30 0.22 0.00 0.37 0.00 0.00 175.52 176.42 1ss3 h HIS 13 N 0.43 1.03 0.00 0.00 6.17 -0.32 0.58 115.15 123.05 1ss3 h HIS 13 Ca 0.19 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.30 1ss3 h HIS 13 Cb 0.11 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 29.72 1ss3 h HIS 13 CO -0.11 0.37 0.00 1.63 0.71 0.00 0.00 177.93 180.53 1ss3 n LYS 14 N -4.62 0.00 0.26 5.26 5.02 -0.45 0.31 118.16 123.94 1ss3 n LYS 14 Ca 0.19 0.57 0.17 0.00 -2.02 0.00 0.00 58.31 57.22 1ss3 n LYS 14 Cb 0.43 -1.46 0.90 0.00 -0.02 0.00 0.00 35.03 34.88 1ss3 n LYS 14 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ss3 h GLU 15 N 0.00 0.00 0.01 1.97 4.81 -1.18 -0.36 114.58 119.83 1ss3 h GLU 15 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ss3 h GLU 15 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ss3 h GLU 15 CO 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 179.01 178.27 1ss3 h SER 17 N -0.09 0.00 -0.99 0.00 0.87 0.05 0.10 113.55 113.50 1ss3 h SER 17 Ca -0.00 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 1ss3 h SER 17 Cb 0.01 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.88 1ss3 h SER 17 CO 0.00 0.00 0.61 -0.78 -0.53 0.00 0.00 176.83 176.14 1ss3 h ASP 18 N 0.00 0.73 0.00 6.23 3.58 -1.16 0.19 116.42 125.99 1ss3 h ASP 18 Ca 0.15 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1ss3 h ASP 18 Cb 0.97 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1ss3 h ASP 18 CO -0.00 0.29 0.06 0.29 -2.88 0.00 0.00 179.24 177.00 1ss3 n LYS 19 N -4.69 0.08 -1.08 0.28 4.76 0.35 -4.77 118.16 113.09 1ss3 n LYS 19 Ca 0.22 0.56 -0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1ss3 n LYS 19 Cb 0.57 -1.82 -0.00 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.35 0.38 3.80 0.72 0.00 0.67 -5.05 105.19 104.36 1ss3 n GLY 20 Ca -0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.00 2.11 0.08 1.61 0.01 -1.25 -5.02 114.94 109.48 1ss3 s ASN 21 Ca 0.00 0.34 -0.30 0.00 -0.71 0.00 0.00 52.86 52.19 1ss3 s ASN 21 Cb 0.00 -0.40 -0.05 0.00 0.41 0.00 0.00 41.25 41.21 1ss3 s ASN 21 CO 0.00 -3.36 1.08 -0.83 -1.51 0.00 0.00 177.10 172.47 1ss3 s GLY 22 N -4.57 2.75 0.14 0.66 0.00 -1.26 -4.87 107.32 100.17 1ss3 s GLY 22 Ca 0.74 0.71 -0.26 0.00 0.00 0.00 0.00 44.72 45.90 1ss3 s GLY 22 CO 0.54 1.76 1.46 -2.75 0.00 0.00 0.00 173.10 174.11 1ss3 h PHE 23 N 6.22 -1.62 -0.34 1.90 3.57 -1.97 0.21 116.94 124.91 1ss3 h PHE 23 Ca -0.42 0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.25 1ss3 h PHE 23 Cb 1.21 0.82 -0.08 0.00 2.79 0.00 0.00 35.95 40.69 1ss3 h PHE 23 CO 0.66 -0.32 -0.42 1.15 -2.23 0.00 0.00 178.31 177.15 1ss3 h THR 24 N -0.00 0.13 -0.58 4.41 2.02 -1.98 0.36 112.91 117.27 1ss3 h THR 24 Ca 0.14 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 1ss3 h THR 24 Cb 0.35 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.82 1ss3 h THR 24 CO -0.80 0.00 0.23 0.15 0.37 0.00 0.00 175.52 175.47 1ss3 h PHE 25 N -0.36 0.41 -0.82 3.16 3.57 -1.69 0.19 116.94 121.41 1ss3 h PHE 25 Ca 0.13 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1ss3 h PHE 25 Cb 0.59 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1ss3 h PHE 25 CO -0.59 0.13 0.54 0.00 -2.23 0.00 0.00 178.31 176.16 1ss3 h GLU 27 N 0.98 -0.19 -1.22 0.00 5.08 0.17 0.25 114.58 119.67 1ss3 h GLU 27 Ca 0.33 0.01 0.35 0.00 -1.00 0.00 0.00 59.36 59.06 1ss3 h GLU 27 Cb 0.08 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1ss3 h GLU 27 CO -0.10 -0.12 0.92 0.52 -1.00 0.00 0.00 179.01 179.23 1ss3 h MET 28 N -0.28 0.00 0.00 2.33 2.86 -0.72 0.35 114.93 119.47 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 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1ss3 h MET 28 CO 0.03 0.00 -0.02 -0.22 1.06 0.00 0.00 176.91 177.76 1ss3 h LYS 29 N 0.00 0.00 -1.14 1.72 3.11 -1.21 -3.24 116.57 115.81 1ss3 h LYS 29 Ca 0.58 0.00 0.33 0.00 -2.81 0.00 0.00 60.65 58.75 1ss3 h LYS 29 Cb 2.42 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.61 1ss3 h LYS 29 CO -0.01 0.00 0.97 0.00 -2.81 0.00 0.00 179.45 177.60 1ss3 h ASP 31 N 0.00 -0.86 1.18 0.00 3.58 -0.50 -2.94 116.42 116.88 1ss3 h ASP 31 Ca 0.54 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.99 1ss3 h ASP 31 Cb 2.47 0.22 -0.00 0.00 1.72 0.00 0.00 39.33 43.74 1ss3 h ASP 31 CO -0.01 -0.58 -0.13 0.74 -2.88 0.00 0.00 179.24 176.38 1ss3 h THR 32 N -1.08 0.30 0.00 2.25 2.02 -1.17 -3.34 112.91 111.89 1ss3 h THR 32 Ca -0.10 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1ss3 h THR 32 Cb 0.78 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1ss3 h THR 32 CO 0.17 0.13 0.00 -0.67 0.37 0.00 0.00 175.52 175.52 1ss3 n ASP 33 N -3.23 0.00 -4.57 4.18 2.03 0.20 -3.80 116.55 111.37 1ss3 n ASP 33 Ca 0.01 0.83 -0.41 0.00 0.52 0.00 0.00 54.79 55.74 1ss3 n ASP 33 Cb 0.43 -0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 40.48 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 4.77 -0.87 1.05 0.00 0.15 -1.25 -4.93 113.70 112.61 1ss3 s SER 35 Ca 0.51 1.46 -0.09 0.00 0.70 0.00 0.00 55.95 58.54 1ss3 s SER 35 Cb 0.02 1.37 0.12 0.00 -1.71 0.00 0.00 66.02 65.82 1ss3 s SER 35 CO -0.01 -0.24 0.59 0.52 1.20 0.00 0.00 173.24 175.30 1ss3 n VAL 36 N 3.91 0.00 -2.66 4.45 0.31 -1.26 -5.10 118.33 117.98 1ss3 n VAL 36 Ca -0.19 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1ss3 n VAL 36 Cb 0.58 -1.51 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 2.29 -1.32 0.00 0.00 176.83 177.80 1ss3 n LYS 37 N -2.63 0.34 -2.20 5.55 2.85 -1.26 -5.17 118.16 115.64 1ss3 n LYS 37 Ca 0.08 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.06 1ss3 n LYS 37 Cb 0.28 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.70 1ss3 n LYS 37 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ss3 s ASP 38 N 1.00 5.29 -0.65 -5.58 -1.08 -1.26 -5.04 116.67 109.34 1ss3 s ASP 38 Ca 0.00 0.74 0.05 0.00 -0.52 0.00 0.00 52.55 52.82 1ss3 s ASP 38 Cb 0.00 -1.57 0.28 0.00 -1.46 0.00 0.00 42.92 40.17 1ss3 s ASP 38 CO 0.00 -1.32 0.87 0.55 0.52 0.00 0.00 175.17 175.79 1ss3 n VAL 39 N -2.81 2.81 -1.09 1.11 3.14 -1.26 -5.08 118.33 115.14 1ss3 n VAL 39 Ca 0.06 -5.38 -0.36 0.00 -2.96 0.00 0.00 64.34 55.70 1ss3 n VAL 39 Cb 0.58 -1.89 0.05 0.00 -1.06 0.00 0.00 33.84 31.53 1ss3 n VAL 39 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ss3 n LYS 40 N 0.54 0.04 -0.73 1.45 4.81 -1.26 -4.86 118.16 118.14 1ss3 n LYS 40 Ca 0.30 0.03 -0.32 0.00 -0.87 0.00 0.00 58.31 57.46 1ss3 n LYS 40 Cb 0.40 -1.37 0.15 0.00 0.02 0.00 0.00 35.03 34.22 1ss3 n LYS 40 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ss3 n GLU 41 N 0.70 -0.77 -3.16 1.64 -0.58 -1.26 -4.87 120.64 112.35 1ss3 n GLU 41 Ca 0.05 -0.19 -0.45 0.00 -0.42 0.00 0.00 57.16 56.15 1ss3 n GLU 41 Cb 0.52 -1.91 -0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1ss3 n GLU 41 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1ss3 s LYS 42 N -3.77 4.00 0.58 3.49 2.36 -1.26 -5.02 119.74 120.12 1ss3 s LYS 42 Ca 0.59 -2.71 -0.18 0.00 -2.55 0.00 0.00 55.97 51.12 1ss3 s LYS 42 Cb -0.19 -4.75 -0.11 0.00 -1.05 0.00 0.00 37.83 31.72 1ss3 s LYS 42 CO 0.66 -1.49 0.14 1.47 1.55 0.00 0.00 175.35 177.68 1ss3 n LEU 43 N 4.36 -1.71 -3.86 5.43 -0.00 -1.26 -5.00 117.00 114.95 1ss3 n LEU 43 Ca 0.27 0.65 -0.08 0.00 -0.00 0.00 0.00 56.01 56.85 1ss3 n LEU 43 Cb 0.43 -1.00 -0.01 0.00 -0.00 0.00 0.00 43.42 42.83 1ss3 n LEU 43 CO 0.50 -4.05 0.46 -0.70 -0.00 0.00 0.00 177.39 173.60 1ss3 s GLU 44 N -1.66 1.88 0.16 1.47 -6.30 -1.26 -5.18 118.70 107.81 1ss3 s GLU 44 Ca 0.61 -1.12 -0.24 0.00 -2.50 0.00 0.00 54.97 51.72 1ss3 s GLU 44 Cb -0.44 0.60 0.06 0.00 0.00 0.00 0.00 34.13 34.35 1ss3 s GLU 44 CO 0.62 -0.86 0.86 0.54 0.02 0.00 0.00 175.26 176.44 1ss3 s ASN 45 N -2.97 -0.26 0.22 -1.70 2.20 -1.26 -5.19 114.94 105.98 1ss3 s ASN 45 Ca 0.13 -0.36 -0.06 0.00 -0.94 0.00 0.00 52.86 51.63 1ss3 s ASN 45 Cb -0.05 0.54 -0.02 0.00 -2.00 0.00 0.00 41.25 39.71 1ss3 s ASN 45 CO 0.08 -0.98 0.28 -0.47 -2.94 0.00 0.00 177.10 173.07 1ss3 s TYR 46 N -3.46 0.80 -0.42 1.54 5.04 -1.26 -5.11 117.35 114.49 1ss3 s TYR 46 Ca 0.10 -1.09 0.07 0.00 -2.44 0.00 0.00 57.07 53.71 1ss3 s TYR 46 Cb -0.02 -0.24 0.24 0.00 0.35 0.00 0.00 41.96 42.29 1ss3 s TYR 46 CO 0.00 -0.78 0.60 1.17 -1.34 0.00 0.00 175.55 175.20 1ss3 n LYS 47 N -0.31 0.66 -2.28 4.97 0.00 -1.26 -5.12 118.16 114.82 1ss3 n LYS 47 Ca 0.00 -2.82 -0.42 0.00 0.00 0.00 0.00 58.31 55.08 1ss3 n LYS 47 Cb 0.64 -1.33 -0.03 0.00 0.00 0.00 0.00 35.03 34.31 1ss3 n LYS 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ss3 s PRO 48 N -0.51 4.41 0.46 1.64 0.04 -1.26 -4.97 135.00 134.81 1ss3 s PRO 48 Ca 0.34 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 1ss3 s PRO 48 Cb 0.16 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.36 1ss3 s PRO 48 CO -0.15 -0.24 0.84 1.17 0.04 0.00 0.00 177.00 178.66 1ss3 n LYS 49 N 3.01 1.00 0.00 4.56 3.00 -1.26 -5.36 118.16 123.11 1ss3 n LYS 49 Ca 0.07 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 1ss3 n LYS 49 Cb 0.44 -1.88 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69