#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss3 h GLU 2 N 0.00 1.09 -0.59 -1.24 4.11 -2.05 -3.20 114.58 112.70 1ss3 h GLU 2 Ca 0.00 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 1ss3 h GLU 2 Cb 0.00 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1ss3 h GLU 2 CO 0.00 0.79 0.33 0.00 0.07 0.00 0.00 179.01 180.20 1ss3 h ALA 3 N 1.24 0.75 -1.15 1.06 0.00 -2.04 0.20 119.26 119.31 1ss3 h ALA 3 Ca 0.28 -0.09 0.33 0.00 0.00 0.00 0.00 54.91 55.43 1ss3 h ALA 3 Cb -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1ss3 h ALA 3 CO -0.05 0.25 0.79 1.96 0.00 0.00 0.00 179.25 182.21 1ss3 h GLN 4 N 0.79 0.15 0.08 0.00 1.08 -1.99 0.33 115.11 115.55 1ss3 h GLN 4 Ca 0.21 -0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 57.13 1ss3 h GLN 4 Cb 0.02 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1ss3 h GLN 4 CO -0.04 0.10 -1.39 0.35 -0.95 0.00 0.00 178.83 176.90 1ss3 h PHE 5 N 0.15 0.31 -0.60 2.96 3.04 -1.21 -3.13 116.94 118.46 1ss3 h PHE 5 Ca 0.60 -0.23 0.09 0.00 3.98 0.00 0.00 57.97 62.42 1ss3 h PHE 5 Cb 2.03 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 40.49 1ss3 h PHE 5 CO -0.00 1.55 0.40 -0.22 -2.02 0.00 0.00 178.31 178.02 1ss3 h LYS 6 N -0.46 0.42 -0.24 1.11 3.64 0.88 0.41 116.57 122.33 1ss3 h LYS 6 Ca -0.32 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1ss3 h LYS 6 Cb 1.65 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1ss3 h LYS 6 CO -0.01 0.28 -0.21 0.93 -2.27 0.00 0.00 179.45 178.17 1ss3 h GLU 7 N 0.43 0.56 -0.37 1.90 5.08 -0.56 -0.85 114.58 120.77 1ss3 h GLU 7 Ca 0.28 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ss3 h GLU 7 Cb 0.52 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1ss3 h GLU 7 CO -0.08 0.87 0.11 0.00 -1.00 0.00 0.00 179.01 178.91 1ss3 h TYR 9 N 0.44 -0.54 0.29 0.00 5.03 -0.29 0.63 116.97 122.53 1ss3 h TYR 9 Ca 0.12 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1ss3 h TYR 9 Cb 0.27 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1ss3 h TYR 9 CO 0.01 -0.31 -0.14 0.22 -1.32 0.00 0.00 178.16 176.62 1ss3 h ASP 10 N -0.62 -0.33 -0.46 -2.11 1.82 -1.09 0.18 116.42 113.80 1ss3 h ASP 10 Ca -0.06 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.53 1ss3 h ASP 10 Cb 0.47 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1ss3 h ASP 10 CO 0.10 -0.23 0.10 0.74 -1.61 0.00 0.00 179.24 178.34 1ss3 h THR 11 N -0.40 1.24 -0.50 2.25 2.02 -0.82 -1.65 112.91 115.05 1ss3 h THR 11 Ca -0.04 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.31 1ss3 h THR 11 Cb 0.31 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1ss3 h THR 11 CO 0.07 0.30 0.29 0.00 0.37 0.00 0.00 175.52 176.55 1ss3 h HIS 13 N 0.58 0.51 0.11 0.00 6.17 -0.07 0.44 115.15 122.90 1ss3 h HIS 13 Ca 0.20 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.29 1ss3 h HIS 13 Cb 0.03 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 29.79 1ss3 h HIS 13 CO -0.07 0.21 -0.07 0.87 0.71 0.00 0.00 177.93 179.58 1ss3 h LYS 14 N 0.45 -0.16 0.00 5.26 1.57 -0.61 0.20 116.57 123.27 1ss3 h LYS 14 Ca 0.36 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1ss3 h LYS 14 Cb 0.77 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1ss3 h LYS 14 CO -0.12 -0.11 0.00 -1.91 -0.57 0.00 0.00 179.45 176.74 1ss3 n GLU 15 N -2.61 0.15 -0.04 3.15 2.13 -0.95 -1.49 120.64 120.98 1ss3 n GLU 15 Ca -0.02 0.59 -0.00 0.00 0.66 0.00 0.00 57.16 58.39 1ss3 n GLU 15 Cb 0.07 -1.94 -0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 -0.78 0.00 -0.97 0.00 0.87 -0.47 0.07 113.55 112.28 1ss3 h SER 17 Ca 0.00 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.75 1ss3 h SER 17 Cb 0.05 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.92 1ss3 h SER 17 CO 0.00 0.00 0.61 -0.78 -0.53 0.00 0.00 176.83 176.13 1ss3 h ASP 18 N 0.00 0.67 0.03 6.23 3.58 -1.39 0.11 116.42 125.65 1ss3 h ASP 18 Ca 0.12 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1ss3 h ASP 18 Cb 0.67 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1ss3 h ASP 18 CO -0.00 0.26 0.00 0.29 -2.88 0.00 0.00 179.24 176.91 1ss3 n LYS 19 N -4.66 0.00 -1.06 0.28 4.76 0.01 -4.79 118.16 112.70 1ss3 n LYS 19 Ca 0.22 0.49 -0.02 0.00 -2.87 0.00 0.00 58.31 56.12 1ss3 n LYS 19 Cb 0.60 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 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 0.55 3.81 0.72 0.00 0.37 -5.04 105.19 104.19 1ss3 n GLY 20 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.84 3.04 0.13 1.61 0.01 -1.25 -5.01 114.94 110.62 1ss3 s ASN 21 Ca 0.00 0.67 -0.31 0.00 -0.71 0.00 0.00 52.86 52.51 1ss3 s ASN 21 Cb 0.00 -1.01 -0.08 0.00 0.41 0.00 0.00 41.25 40.57 1ss3 s ASN 21 CO 0.00 -2.82 1.36 -0.83 -1.51 0.00 0.00 177.10 173.30 1ss3 s GLY 22 N -4.33 2.09 0.17 0.66 0.00 -1.26 -4.85 107.32 99.79 1ss3 s GLY 22 Ca 0.68 1.10 -0.28 0.00 0.00 0.00 0.00 44.72 46.22 1ss3 s GLY 22 CO 0.53 2.27 1.51 0.33 0.00 0.00 0.00 173.10 177.74 1ss3 n PHE 23 N 3.71 -0.35 0.01 1.90 7.35 -1.26 -0.58 117.46 128.24 1ss3 n PHE 23 Ca 0.10 1.22 -0.13 0.00 -0.76 0.00 0.00 57.45 57.88 1ss3 n PHE 23 Cb 0.43 -0.63 -0.07 0.00 0.35 0.00 0.00 39.48 39.56 1ss3 n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ss3 h THR 24 N 0.00 0.10 -0.49 -2.13 2.02 -1.98 0.32 112.91 110.75 1ss3 h THR 24 Ca 0.19 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.46 1ss3 h THR 24 Cb 0.43 0.10 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 1ss3 h THR 24 CO -0.93 0.00 0.06 0.15 0.37 0.00 0.00 175.52 175.18 1ss3 h PHE 25 N -0.55 0.09 -0.76 3.16 3.57 -1.79 0.50 116.94 121.15 1ss3 h PHE 25 Ca 0.06 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1ss3 h PHE 25 Cb 0.66 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1ss3 h PHE 25 CO -0.50 -0.04 0.50 0.00 -2.23 0.00 0.00 178.31 176.04 1ss3 h GLU 27 N 0.96 -0.20 -1.01 0.00 5.08 0.13 0.16 114.58 119.70 1ss3 h GLU 27 Ca 0.30 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 58.94 1ss3 h GLU 27 Cb 0.01 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1ss3 h GLU 27 CO -0.08 -0.13 0.69 0.52 -1.00 0.00 0.00 179.01 179.00 1ss3 h MET 28 N -0.24 0.23 0.18 2.33 2.86 -0.94 0.17 114.93 119.52 1ss3 h MET 28 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1ss3 h MET 28 Cb 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1ss3 h MET 28 CO 0.03 0.15 -0.08 -0.22 1.06 0.00 0.00 176.91 177.85 1ss3 h LYS 29 N 0.24 -0.23 -0.92 1.72 3.11 -0.89 -3.13 116.57 116.48 1ss3 h LYS 29 Ca 0.53 0.02 0.27 0.00 -2.81 0.00 0.00 60.65 58.65 1ss3 h LYS 29 Cb 1.63 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 32.87 1ss3 h LYS 29 CO -0.15 0.10 0.75 0.00 -2.81 0.00 0.00 179.45 177.33 1ss3 h ASP 31 N 0.00 -0.89 0.78 0.00 1.82 -0.77 -2.91 116.42 114.45 1ss3 h ASP 31 Ca 0.44 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 57.03 1ss3 h ASP 31 Cb 1.93 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 42.16 1ss3 h ASP 31 CO -0.00 -0.59 -0.37 0.74 -1.61 0.00 0.00 179.24 177.40 1ss3 h THR 32 N -1.13 0.92 0.00 2.25 2.02 -1.31 -3.34 112.91 112.32 1ss3 h THR 32 Ca -0.11 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1ss3 h THR 32 Cb 0.80 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1ss3 h THR 32 CO 0.18 0.37 0.00 -0.67 0.37 0.00 0.00 175.52 175.76 1ss3 n ASP 33 N -3.58 0.00 -4.49 4.18 2.03 0.15 -3.96 116.55 110.88 1ss3 n ASP 33 Ca -0.00 0.88 -0.43 0.00 0.52 0.00 0.00 54.79 55.75 1ss3 n ASP 33 Cb 0.49 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.49 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 4.04 0.49 1.03 0.00 0.01 -1.25 -4.83 113.70 113.18 1ss3 s SER 35 Ca 0.36 0.31 -0.02 0.00 1.31 0.00 0.00 55.95 57.91 1ss3 s SER 35 Cb -0.05 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.43 1ss3 s SER 35 CO -0.07 -0.21 0.06 0.55 0.41 0.00 0.00 173.24 173.97 1ss3 n VAL 36 N 4.96 0.00 -3.89 3.43 3.14 -1.26 -5.09 118.33 119.62 1ss3 n VAL 36 Ca -0.12 -0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.18 1ss3 n VAL 36 Cb 0.50 -0.08 -0.08 0.00 -1.06 0.00 0.00 33.84 33.12 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 -3.14 0.80 -0.23 1.45 2.20 -1.26 -5.13 119.74 114.42 1ss3 s LYS 37 Ca 0.05 -0.97 -0.27 0.00 -0.36 0.00 0.00 55.97 54.42 1ss3 s LYS 37 Cb -0.01 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1ss3 s LYS 37 CO 0.04 -0.24 0.94 0.34 -0.36 0.00 0.00 175.35 176.07 1ss3 s ASP 38 N -2.81 6.97 -0.50 1.43 2.15 -1.26 -4.99 116.67 117.67 1ss3 s ASP 38 Ca 0.04 1.22 0.04 0.00 0.43 0.00 0.00 52.55 54.28 1ss3 s ASP 38 Cb 0.05 -2.49 0.17 0.00 -0.30 0.00 0.00 42.92 40.35 1ss3 s ASP 38 CO -0.10 -0.59 0.38 -0.69 -0.17 0.00 0.00 175.17 174.00 1ss3 s VAL 39 N 2.98 1.16 0.13 1.11 1.01 -1.26 -5.11 120.40 120.42 1ss3 s VAL 39 Ca 0.40 -3.11 -0.35 0.00 0.00 0.00 0.00 61.98 58.92 1ss3 s VAL 39 Cb -0.15 -1.78 -0.16 0.00 0.00 0.00 0.00 36.38 34.29 1ss3 s VAL 39 CO 0.07 -1.14 1.34 0.29 0.00 0.00 0.00 175.10 175.65 1ss3 n LYS 40 N 2.65 1.35 -1.69 2.72 5.02 -1.26 -4.90 118.16 122.04 1ss3 n LYS 40 Ca 0.25 0.48 -0.20 0.00 -2.02 0.00 0.00 58.31 56.83 1ss3 n LYS 40 Cb 0.43 -2.11 0.06 0.00 -0.02 0.00 0.00 35.03 33.39 1ss3 n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ss3 n GLU 41 N 2.45 3.15 -3.14 1.97 -0.58 -1.26 -4.70 120.64 118.53 1ss3 n GLU 41 Ca 0.17 -3.92 -0.22 0.00 -0.42 0.00 0.00 57.16 52.77 1ss3 n GLU 41 Cb 0.22 -2.16 -0.04 0.00 -0.57 0.00 0.00 31.44 28.89 1ss3 n GLU 41 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ss3 n LYS 42 N -0.81 1.64 -1.28 3.49 4.81 -1.26 -5.11 118.16 119.64 1ss3 n LYS 42 Ca 0.42 -3.84 -0.37 0.00 -0.87 0.00 0.00 58.31 53.65 1ss3 n LYS 42 Cb 0.91 -1.81 0.05 0.00 0.02 0.00 0.00 35.03 34.20 1ss3 n LYS 42 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1ss3 n LEU 43 N 0.36 -0.18 -4.77 3.14 -0.00 -1.26 -4.97 117.00 109.32 1ss3 n LEU 43 Ca 0.26 0.60 -0.30 0.00 -0.00 0.00 0.00 56.01 56.57 1ss3 n LEU 43 Cb 0.55 -1.13 0.09 0.00 -0.00 0.00 0.00 43.42 42.93 1ss3 n LEU 43 CO 0.25 -3.50 0.70 -1.83 -0.00 0.00 0.00 177.39 173.01 1ss3 s GLU 44 N -2.36 2.12 0.09 1.47 -1.05 -1.26 -5.08 118.70 112.62 1ss3 s GLU 44 Ca 0.63 0.93 0.02 0.00 -0.15 0.00 0.00 54.97 56.40 1ss3 s GLU 44 Cb -0.38 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.38 1ss3 s GLU 44 CO 0.60 -1.67 -0.06 -0.80 0.95 0.00 0.00 175.26 174.27 1ss3 s ASN 45 N -3.59 1.04 0.25 0.83 -0.87 -1.26 -5.17 114.94 106.17 1ss3 s ASN 45 Ca 0.61 -0.94 -0.01 0.00 -1.57 0.00 0.00 52.86 50.95 1ss3 s ASN 45 Cb -0.16 0.10 -0.03 0.00 -0.02 0.00 0.00 41.25 41.14 1ss3 s ASN 45 CO 0.56 -0.44 0.24 -0.47 -2.57 0.00 0.00 177.10 174.42 1ss3 s TYR 46 N -3.35 1.20 0.15 2.20 5.04 -1.26 -5.18 117.35 116.16 1ss3 s TYR 46 Ca 0.08 -1.36 0.09 0.00 -2.44 0.00 0.00 57.07 53.44 1ss3 s TYR 46 Cb 0.03 -0.46 -0.04 0.00 0.35 0.00 0.00 41.96 41.84 1ss3 s TYR 46 CO -0.05 -0.79 -0.13 -1.59 -1.34 0.00 0.00 175.55 171.66 1ss3 s LYS 47 N -3.86 1.95 1.01 4.97 -2.85 -1.26 -5.14 119.74 114.56 1ss3 s LYS 47 Ca 0.37 -1.22 -0.12 0.00 -1.00 0.00 0.00 55.97 54.00 1ss3 s LYS 47 Cb 0.04 -2.15 0.19 0.00 -2.06 0.00 0.00 37.83 33.85 1ss3 s LYS 47 CO 0.16 0.46 1.08 -1.25 0.10 0.00 0.00 175.35 175.90 1ss3 s PRO 48 N -2.51 0.37 0.37 1.78 0.04 -1.26 -5.08 135.00 128.71 1ss3 s PRO 48 Ca 0.22 0.63 0.08 0.00 0.04 0.00 0.00 61.00 61.97 1ss3 s PRO 48 Cb -0.10 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 1ss3 s PRO 48 CO 0.13 -2.80 0.34 -1.59 0.04 0.00 0.00 177.00 173.12 1ss3 s LYS 49 N -4.88 2.67 0.00 4.56 0.00 -1.26 -5.37 119.74 115.47 1ss3 s LYS 49 Ca 0.65 -1.37 0.00 0.00 0.00 0.00 0.00 55.97 55.25 1ss3 s LYS 49 Cb -0.19 -2.46 0.00 0.00 0.00 0.00 0.00 37.83 35.17 1ss3 s LYS 49 CO 0.59 -0.03 0.06 -1.71 0.00 0.00 0.00 175.35 174.26