#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 0.60 -0.09 0.11 4.71 -1.26 -4.57 120.64 120.15 1ss3 n GLU 2 Ca 0.00 0.06 -0.12 0.00 -0.01 0.00 0.00 57.16 57.09 1ss3 n GLU 2 Cb 0.00 -1.25 -0.05 0.00 -1.01 0.00 0.00 31.44 29.13 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ss3 h ALA 3 N 0.07 0.35 -1.04 0.62 0.00 -2.04 0.29 119.26 117.50 1ss3 h ALA 3 Ca -0.28 -0.28 0.28 0.00 0.00 0.00 0.00 54.91 54.63 1ss3 h ALA 3 Cb 1.46 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1ss3 h ALA 3 CO -0.04 0.16 0.71 -0.56 0.00 0.00 0.00 179.25 179.52 1ss3 h GLN 4 N 0.23 0.20 0.04 0.00 3.07 -2.00 0.12 115.11 116.78 1ss3 h GLN 4 Ca 0.06 -0.01 -0.23 0.00 0.09 0.00 0.00 58.65 58.56 1ss3 h GLN 4 Cb 0.55 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 28.04 1ss3 h GLN 4 CO 0.03 0.13 -1.23 0.35 0.09 0.00 0.00 178.83 178.20 1ss3 h PHE 5 N 0.21 0.17 -1.00 0.06 3.04 -1.75 -3.07 116.94 114.59 1ss3 h PHE 5 Ca 0.54 -0.12 0.18 0.00 3.98 0.00 0.00 57.97 62.55 1ss3 h PHE 5 Cb 1.72 -0.01 -0.10 0.00 2.56 0.00 0.00 35.95 40.12 1ss3 h PHE 5 CO -0.00 1.48 0.62 1.57 -2.02 0.00 0.00 178.31 179.96 1ss3 h LYS 6 N -0.70 0.74 -0.24 1.11 5.09 0.56 0.54 116.57 123.67 1ss3 h LYS 6 Ca -0.30 -0.04 -0.13 0.00 0.09 0.00 0.00 60.65 60.26 1ss3 h LYS 6 Cb 1.47 -0.17 -0.00 0.00 0.10 0.00 0.00 32.23 33.63 1ss3 h LYS 6 CO -0.08 0.49 -0.36 0.93 -2.09 0.00 0.00 179.45 178.34 1ss3 h GLU 7 N 0.77 0.67 -0.38 0.07 5.08 -0.97 0.41 114.58 120.23 1ss3 h GLU 7 Ca 0.56 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1ss3 h GLU 7 Cb 0.87 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1ss3 h GLU 7 CO -0.35 1.01 0.11 0.00 -1.00 0.00 0.00 179.01 178.78 1ss3 h TYR 9 N 0.47 -0.54 0.04 0.00 5.03 0.04 0.54 116.97 122.56 1ss3 h TYR 9 Ca 0.12 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1ss3 h TYR 9 Cb 0.28 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1ss3 h TYR 9 CO 0.01 -0.31 -0.02 0.22 -1.32 0.00 0.00 178.16 176.74 1ss3 h ASP 10 N -0.63 -0.05 -0.34 -2.11 3.58 -0.94 0.22 116.42 116.15 1ss3 h ASP 10 Ca -0.06 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.25 1ss3 h ASP 10 Cb 0.48 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1ss3 h ASP 10 CO 0.10 -0.01 -0.24 0.74 -2.88 0.00 0.00 179.24 176.95 1ss3 h THR 11 N -0.08 1.29 -0.59 2.25 2.02 -1.15 -1.91 112.91 114.73 1ss3 h THR 11 Ca -0.01 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.81 1ss3 h THR 11 Cb 0.07 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1ss3 h THR 11 CO 0.01 0.45 0.37 0.00 0.37 0.00 0.00 175.52 176.72 1ss3 h HIS 13 N 0.73 0.16 0.11 0.00 6.17 -0.15 0.37 115.15 122.54 1ss3 h HIS 13 Ca 0.23 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.31 1ss3 h HIS 13 Cb -0.00 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 29.88 1ss3 h HIS 13 CO -0.05 0.08 -0.05 0.87 0.71 0.00 0.00 177.93 179.48 1ss3 h LYS 14 N 0.15 -0.14 0.00 5.26 1.57 -0.78 0.18 116.57 122.80 1ss3 h LYS 14 Ca 0.19 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1ss3 h LYS 14 Cb 0.57 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ss3 h LYS 14 CO -0.03 -0.10 0.00 -1.91 -0.57 0.00 0.00 179.45 176.85 1ss3 n GLU 15 N -2.41 0.15 -0.05 3.15 2.13 -1.05 -1.29 120.64 121.26 1ss3 n GLU 15 Ca -0.02 0.60 -0.01 0.00 0.66 0.00 0.00 57.16 58.39 1ss3 n GLU 15 Cb 0.06 -1.95 -0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 -1.00 0.00 -0.94 0.00 0.87 -0.81 -1.61 113.55 110.06 1ss3 h SER 17 Ca 0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1ss3 h SER 17 Cb 0.06 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.91 1ss3 h SER 17 CO 0.00 0.00 0.52 -0.78 -0.53 0.00 0.00 176.83 176.04 1ss3 h ASP 18 N 0.00 0.60 0.00 6.23 3.58 -1.34 -0.40 116.42 125.09 1ss3 h ASP 18 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1ss3 h ASP 18 Cb 0.03 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1ss3 h ASP 18 CO -0.00 0.17 0.05 0.29 -2.88 0.00 0.00 179.24 176.87 1ss3 n LYS 19 N -4.88 0.00 -1.03 0.28 4.76 -0.60 -4.78 118.16 111.91 1ss3 n LYS 19 Ca 0.22 0.40 -0.01 0.00 -2.87 0.00 0.00 58.31 56.05 1ss3 n LYS 19 Cb 0.60 -1.55 -0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 0.48 3.83 0.72 0.00 -0.16 -5.05 105.19 103.62 1ss3 n GLY 20 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.76 3.84 0.45 1.61 0.01 -1.25 -5.05 114.94 111.79 1ss3 s ASN 21 Ca 0.00 0.86 -0.23 0.00 -0.71 0.00 0.00 52.86 52.78 1ss3 s ASN 21 Cb 0.00 -1.38 -0.08 0.00 0.41 0.00 0.00 41.25 40.20 1ss3 s ASN 21 CO 0.00 -2.33 1.17 -0.83 -1.51 0.00 0.00 177.10 173.59 1ss3 s GLY 22 N -4.27 2.79 0.12 0.66 0.00 -1.26 -4.81 107.32 100.55 1ss3 s GLY 22 Ca 0.64 0.94 -0.31 0.00 0.00 0.00 0.00 44.72 45.99 1ss3 s GLY 22 CO 0.52 1.40 1.58 -2.75 0.00 0.00 0.00 173.10 173.84 1ss3 h PHE 23 N 2.13 -1.30 0.00 1.90 3.04 -1.97 -0.12 116.94 120.62 1ss3 h PHE 23 Ca -0.49 0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.54 1ss3 h PHE 23 Cb 1.25 0.58 -0.05 0.00 2.56 0.00 0.00 35.95 40.28 1ss3 h PHE 23 CO 0.54 -0.51 -0.32 1.15 -2.02 0.00 0.00 178.31 177.15 1ss3 h THR 24 N -0.55 0.30 -0.34 4.41 2.02 -1.98 0.31 112.91 117.08 1ss3 h THR 24 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 1ss3 h THR 24 Cb 0.66 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1ss3 h THR 24 CO -0.38 0.00 -0.03 0.15 0.37 0.00 0.00 175.52 175.63 1ss3 h PHE 25 N -0.48 -0.07 -0.71 3.16 3.57 -1.93 0.82 116.94 121.29 1ss3 h PHE 25 Ca 0.06 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1ss3 h PHE 25 Cb 0.56 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1ss3 h PHE 25 CO -0.35 -0.09 0.47 0.00 -2.23 0.00 0.00 178.31 176.11 1ss3 h GLU 27 N 0.88 -0.05 -1.33 0.00 5.08 0.57 0.19 114.58 119.91 1ss3 h GLU 27 Ca 0.28 0.00 0.39 0.00 -1.00 0.00 0.00 59.36 59.02 1ss3 h GLU 27 Cb 0.02 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1ss3 h GLU 27 CO -0.07 -0.03 0.95 0.52 -1.00 0.00 0.00 179.01 179.37 1ss3 h MET 28 N -0.07 0.02 0.08 2.33 2.86 -0.89 0.28 114.93 119.54 1ss3 h MET 28 Ca -0.01 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ss3 h MET 28 Cb 0.04 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1ss3 h MET 28 CO 0.01 0.01 -0.04 -0.22 1.06 0.00 0.00 176.91 177.74 1ss3 h LYS 29 N 0.02 -0.10 -1.20 1.72 3.11 -1.19 -3.28 116.57 115.65 1ss3 h LYS 29 Ca 0.64 0.01 0.35 0.00 -2.81 0.00 0.00 60.65 58.83 1ss3 h LYS 29 Cb 2.52 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 33.72 1ss3 h LYS 29 CO -0.03 -0.06 0.92 0.00 -2.81 0.00 0.00 179.45 177.47 1ss3 h ASP 31 N 0.00 -0.57 0.85 0.00 1.82 -0.68 -3.08 116.42 114.77 1ss3 h ASP 31 Ca 0.57 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 57.16 1ss3 h ASP 31 Cb 2.41 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 42.57 1ss3 h ASP 31 CO -0.01 -0.34 -0.37 0.74 -1.61 0.00 0.00 179.24 177.65 1ss3 h THR 32 N -0.55 0.87 0.00 2.25 2.02 -1.28 -3.34 112.91 112.89 1ss3 h THR 32 Ca -0.05 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 1ss3 h THR 32 Cb 0.44 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1ss3 h THR 32 CO 0.05 0.36 -0.00 -0.78 0.37 0.00 0.00 175.52 175.52 1ss3 h ASP 33 N 0.00 -0.00 -2.25 4.18 3.58 -0.42 -3.32 116.42 118.19 1ss3 h ASP 33 Ca -0.00 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.76 1ss3 h ASP 33 Cb 0.89 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.78 1ss3 h ASP 33 CO 0.05 -0.00 0.97 0.00 -2.88 0.00 0.00 179.24 177.38 1ss3 s SER 35 N 3.66 4.56 1.12 0.00 0.01 -1.25 -4.87 113.70 116.92 1ss3 s SER 35 Ca 0.35 -1.75 -0.11 0.00 1.31 0.00 0.00 55.95 55.75 1ss3 s SER 35 Cb -0.04 -1.55 0.16 0.00 0.21 0.00 0.00 66.02 64.80 1ss3 s SER 35 CO -0.08 -0.29 0.63 0.52 0.41 0.00 0.00 173.24 174.43 1ss3 n VAL 36 N 4.37 0.00 -4.06 3.43 0.31 -1.26 -5.11 118.33 116.00 1ss3 n VAL 36 Ca -0.05 -0.31 -0.03 0.00 -0.01 0.00 0.00 64.34 63.93 1ss3 n VAL 36 Cb 0.42 -1.22 -0.01 0.00 -0.91 0.00 0.00 33.84 32.12 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 -3.23 0.67 -3.86 5.55 4.81 -1.26 -5.16 118.16 115.68 1ss3 n LYS 37 Ca 0.09 -0.48 -0.37 0.00 -0.87 0.00 0.00 58.31 56.68 1ss3 n LYS 37 Cb 0.33 0.29 -0.06 0.00 0.02 0.00 0.00 35.03 35.61 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 -1.34 6.41 -0.81 3.14 -1.08 -1.26 -5.03 116.67 116.70 1ss3 s ASP 38 Ca 0.04 0.49 -0.01 0.00 -0.52 0.00 0.00 52.55 52.55 1ss3 s ASP 38 Cb 0.00 -2.07 0.36 0.00 -1.46 0.00 0.00 42.92 39.74 1ss3 s ASP 38 CO 0.03 0.39 1.86 0.55 0.52 0.00 0.00 175.17 178.52 1ss3 n VAL 39 N 1.87 3.68 -1.57 1.11 3.14 -1.26 -5.05 118.33 120.24 1ss3 n VAL 39 Ca -0.19 -4.58 -0.43 0.00 -2.96 0.00 0.00 64.34 56.19 1ss3 n VAL 39 Cb 0.55 -1.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 1ss3 n VAL 39 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ss3 n LYS 40 N -0.48 1.18 -1.65 1.45 5.02 -1.26 -4.98 118.16 117.44 1ss3 n LYS 40 Ca 0.51 0.42 -0.30 0.00 -2.02 0.00 0.00 58.31 56.92 1ss3 n LYS 40 Cb 0.29 -1.86 0.22 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.43 -1.91 -3.45 1.97 1.02 -1.26 -5.00 120.64 112.43 1ss3 n GLU 41 Ca 0.10 -1.99 -0.43 0.00 -0.02 0.00 0.00 57.16 54.82 1ss3 n GLU 41 Cb 0.37 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 1ss3 n GLU 41 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ss3 s LYS 42 N -5.82 3.54 0.41 3.49 2.20 -1.26 -5.06 119.74 117.23 1ss3 s LYS 42 Ca 0.75 -2.84 -0.24 0.00 -0.36 0.00 0.00 55.97 53.29 1ss3 s LYS 42 Cb -0.04 -4.26 -0.12 0.00 -1.51 0.00 0.00 37.83 31.90 1ss3 s LYS 42 CO 0.54 -1.25 0.76 1.47 -0.36 0.00 0.00 175.35 176.51 1ss3 n LEU 43 N 3.23 1.11 -4.95 5.43 -0.00 -1.26 -5.00 117.00 115.56 1ss3 n LEU 43 Ca 0.17 0.98 -0.24 0.00 -0.00 0.00 0.00 56.01 56.93 1ss3 n LEU 43 Cb 0.41 -1.21 0.03 0.00 -0.00 0.00 0.00 43.42 42.65 1ss3 n LEU 43 CO 0.37 -2.24 0.41 -1.83 -0.00 0.00 0.00 177.39 174.10 1ss3 s GLU 44 N -1.74 2.75 -0.12 1.47 -1.05 -1.26 -5.12 118.70 113.63 1ss3 s GLU 44 Ca 0.63 -0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 54.71 1ss3 s GLU 44 Cb -0.60 -2.42 0.10 0.00 -0.44 0.00 0.00 34.13 30.77 1ss3 s GLU 44 CO 0.57 -0.64 0.85 1.21 0.95 0.00 0.00 175.26 178.21 1ss3 s ASN 45 N -4.34 -0.51 0.36 0.83 2.47 -1.26 -5.19 114.94 107.30 1ss3 s ASN 45 Ca 0.54 0.57 0.05 0.00 0.42 0.00 0.00 52.86 54.45 1ss3 s ASN 45 Cb -0.10 0.44 -0.03 0.00 -1.45 0.00 0.00 41.25 40.11 1ss3 s ASN 45 CO 0.41 -0.45 0.21 -0.47 -3.72 0.00 0.00 177.10 173.07 1ss3 s TYR 46 N -1.08 1.74 -0.49 0.43 5.04 -1.26 -5.12 117.35 116.62 1ss3 s TYR 46 Ca -0.06 -1.49 0.06 0.00 -2.44 0.00 0.00 57.07 53.14 1ss3 s TYR 46 Cb -0.00 -0.90 0.21 0.00 0.35 0.00 0.00 41.96 41.62 1ss3 s TYR 46 CO 0.05 -0.62 0.74 1.17 -1.34 0.00 0.00 175.55 175.55 1ss3 n LYS 47 N -0.74 0.62 -1.36 4.97 0.00 -1.26 -5.15 118.16 115.24 1ss3 n LYS 47 Ca 0.01 -2.14 -0.34 0.00 0.00 0.00 0.00 58.31 55.85 1ss3 n LYS 47 Cb 0.64 -1.46 0.10 0.00 0.00 0.00 0.00 35.03 34.30 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 0.53 2.04 0.73 1.64 0.04 -1.26 -4.98 135.00 133.74 1ss3 s PRO 48 Ca 0.32 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 1ss3 s PRO 48 Cb 0.11 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 1ss3 s PRO 48 CO -0.15 -1.91 0.63 0.36 0.04 0.00 0.00 177.00 175.97 1ss3 n LYS 49 N -2.86 0.33 0.00 4.56 2.85 -1.26 -5.36 118.16 116.41 1ss3 n LYS 49 Ca 0.13 0.15 0.14 0.00 -1.05 0.00 0.00 58.31 57.68 1ss3 n LYS 49 Cb 0.50 -1.92 0.81 0.00 -0.65 0.00 0.00 35.03 33.77 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64