#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 0.04 -0.04 -1.24 1.02 -1.26 -4.33 120.64 114.83 1ss3 n GLU 2 Ca 0.00 0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 1ss3 n GLU 2 Cb 0.00 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 1ss3 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ss3 h ALA 3 N 2.93 0.22 -1.15 0.62 0.00 -2.04 0.41 119.26 120.25 1ss3 h ALA 3 Ca 0.00 -0.05 0.33 0.00 0.00 0.00 0.00 54.91 55.19 1ss3 h ALA 3 Cb 0.54 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1ss3 h ALA 3 CO 0.00 -0.25 0.81 1.96 0.00 0.00 0.00 179.25 181.77 1ss3 h GLN 4 N 0.19 0.10 0.11 0.00 1.08 -2.00 0.30 115.11 114.88 1ss3 h GLN 4 Ca 0.06 -0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.95 1ss3 h GLN 4 Cb 0.05 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1ss3 h GLN 4 CO -0.01 0.07 -1.62 0.35 -0.95 0.00 0.00 178.83 176.67 1ss3 h PHE 5 N 0.10 0.41 -0.24 2.96 3.04 -1.64 -3.19 116.94 118.38 1ss3 h PHE 5 Ca 0.58 -0.30 0.07 0.00 3.98 0.00 0.00 57.97 62.30 1ss3 h PHE 5 Cb 2.08 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.57 1ss3 h PHE 5 CO -0.00 1.64 0.17 0.87 -2.02 0.00 0.00 178.31 178.97 1ss3 h LYS 6 N -0.25 0.01 0.07 1.11 6.56 0.15 0.42 116.57 124.64 1ss3 h LYS 6 Ca -0.36 -0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 58.98 1ss3 h LYS 6 Cb 1.81 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.48 1ss3 h LYS 6 CO 0.03 0.01 -1.10 0.93 -2.06 0.00 0.00 179.45 177.26 1ss3 h GLU 7 N 0.01 0.41 -0.28 3.15 5.08 -0.66 -1.82 114.58 120.49 1ss3 h GLU 7 Ca 0.11 -0.54 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 1ss3 h GLU 7 Cb 0.44 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ss3 h GLU 7 CO -0.00 1.20 -0.32 0.00 -1.00 0.00 0.00 179.01 178.88 1ss3 h TYR 9 N 0.45 -0.19 0.18 0.00 5.03 -0.32 0.56 116.97 122.68 1ss3 h TYR 9 Ca 0.04 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1ss3 h TYR 9 Cb 0.90 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.25 1ss3 h TYR 9 CO 0.07 -0.01 -0.08 0.22 -1.32 0.00 0.00 178.16 177.04 1ss3 h ASP 10 N -0.33 -0.20 -0.35 -2.11 3.58 -1.40 0.14 116.42 115.76 1ss3 h ASP 10 Ca -0.02 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 1ss3 h ASP 10 Cb 0.26 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1ss3 h ASP 10 CO 0.03 -0.08 -0.04 0.74 -2.88 0.00 0.00 179.24 177.02 1ss3 h THR 11 N -0.31 1.27 -0.53 2.25 2.02 -1.22 -1.61 112.91 114.78 1ss3 h THR 11 Ca -0.02 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.14 1ss3 h THR 11 Cb 0.24 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1ss3 h THR 11 CO 0.04 0.35 0.27 0.00 0.37 0.00 0.00 175.52 176.55 1ss3 h HIS 13 N 0.53 1.00 0.18 0.00 6.17 -0.23 0.37 115.15 123.18 1ss3 h HIS 13 Ca 0.23 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.34 1ss3 h HIS 13 Cb 0.13 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 29.74 1ss3 h HIS 13 CO -0.10 0.38 -0.21 0.87 0.71 0.00 0.00 177.93 179.58 1ss3 h LYS 14 N 0.86 -0.39 0.00 5.26 1.57 -0.29 0.32 116.57 123.89 1ss3 h LYS 14 Ca 0.47 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1ss3 h LYS 14 Cb 0.59 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ss3 h LYS 14 CO -0.24 -0.26 0.00 -1.91 -0.57 0.00 0.00 179.45 176.47 1ss3 n GLU 15 N -3.63 0.07 -0.03 3.15 2.13 -1.01 -2.00 120.64 119.32 1ss3 n GLU 15 Ca -0.05 0.48 -0.01 0.00 0.66 0.00 0.00 57.16 58.25 1ss3 n GLU 15 Cb 0.19 -1.70 -0.00 0.00 0.27 0.00 0.00 31.44 30.20 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 -0.64 0.00 -0.97 0.00 0.87 -0.33 0.09 113.55 112.58 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 0.06 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.94 1ss3 h SER 17 CO 0.00 0.00 0.63 -0.78 -0.53 0.00 0.00 176.83 176.15 1ss3 h ASP 18 N 0.00 0.50 0.00 6.23 3.58 -1.53 0.80 116.42 126.00 1ss3 h ASP 18 Ca 0.13 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1ss3 h ASP 18 Cb 0.94 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1ss3 h ASP 18 CO -0.00 0.17 0.03 0.29 -2.88 0.00 0.00 179.24 176.85 1ss3 n LYS 19 N -4.59 0.05 -0.99 0.28 4.76 0.02 -4.79 118.16 112.90 1ss3 n LYS 19 Ca 0.22 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1ss3 n LYS 19 Cb 0.73 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.41 0.43 3.83 0.72 0.00 0.27 -5.05 105.19 104.00 1ss3 n GLY 20 Ca -0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.60 2.67 0.34 1.61 0.01 -1.25 -5.05 114.94 110.67 1ss3 s ASN 21 Ca 0.00 0.44 -0.26 0.00 -0.71 0.00 0.00 52.86 52.33 1ss3 s ASN 21 Cb 0.00 -0.60 -0.10 0.00 0.41 0.00 0.00 41.25 40.97 1ss3 s ASN 21 CO 0.00 -3.03 0.99 -0.83 -1.51 0.00 0.00 177.10 172.73 1ss3 s GLY 22 N -4.56 2.82 0.23 0.66 0.00 -1.26 -4.80 107.32 100.41 1ss3 s GLY 22 Ca 0.72 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.96 1ss3 s GLY 22 CO 0.54 1.08 1.64 0.27 0.00 0.00 0.00 173.10 176.63 1ss3 h PHE 23 N 3.06 -0.15 0.74 1.90 -0.00 -1.97 0.53 116.94 121.05 1ss3 h PHE 23 Ca -0.47 0.05 -0.04 0.00 -0.00 0.00 0.00 57.97 57.52 1ss3 h PHE 23 Cb 1.20 0.18 0.01 0.00 -0.00 0.00 0.00 35.95 37.33 1ss3 h PHE 23 CO 0.60 -0.24 -0.36 1.15 -0.00 0.00 0.00 178.31 179.46 1ss3 h THR 24 N 0.07 0.27 -0.68 0.88 2.02 -1.98 0.61 112.91 114.10 1ss3 h THR 24 Ca 0.36 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.58 1ss3 h THR 24 Cb 0.59 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1ss3 h THR 24 CO -0.64 0.00 0.40 0.15 0.37 0.00 0.00 175.52 175.81 1ss3 h PHE 25 N -1.00 0.75 -0.54 3.16 3.57 -1.89 0.06 116.94 121.05 1ss3 h PHE 25 Ca -0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1ss3 h PHE 25 Cb 0.77 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1ss3 h PHE 25 CO -0.03 0.39 0.25 0.00 -2.23 0.00 0.00 178.31 176.70 1ss3 h GLU 27 N 0.76 -0.47 -0.96 0.00 5.08 0.19 0.23 114.58 119.41 1ss3 h GLU 27 Ca 0.19 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.78 1ss3 h GLU 27 Cb 0.09 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1ss3 h GLU 27 CO -0.02 -0.31 0.61 0.00 -1.00 0.00 0.00 179.01 178.29 1ss3 h MET 28 N -0.55 0.57 0.40 2.33 -0.00 -1.10 0.12 114.93 116.71 1ss3 h MET 28 Ca -0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 1ss3 h MET 28 Cb 0.37 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1ss3 h MET 28 CO 0.08 0.38 -0.19 -0.22 -0.00 0.00 0.00 176.91 176.96 1ss3 h LYS 29 N 0.59 -0.51 -1.30 -0.10 3.64 -1.21 -2.78 116.57 114.89 1ss3 h LYS 29 Ca 0.52 0.04 0.38 0.00 -1.27 0.00 0.00 60.65 60.31 1ss3 h LYS 29 Cb 1.04 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.92 1ss3 h LYS 29 CO -0.27 -0.30 0.98 0.00 -2.27 0.00 0.00 179.45 177.59 1ss3 h ASP 31 N 0.00 -0.93 0.74 0.00 1.82 -0.70 -2.77 116.42 114.58 1ss3 h ASP 31 Ca 0.62 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 57.21 1ss3 h ASP 31 Cb 2.57 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 42.81 1ss3 h ASP 31 CO -0.01 -0.65 -0.37 0.74 -1.61 0.00 0.00 179.24 177.35 1ss3 h THR 32 N -1.14 0.93 0.00 2.25 2.02 -0.99 -3.33 112.91 112.65 1ss3 h THR 32 Ca -0.11 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1ss3 h THR 32 Cb 0.84 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1ss3 h THR 32 CO 0.18 0.36 0.00 -0.67 0.37 0.00 0.00 175.52 175.77 1ss3 n ASP 33 N -3.61 0.00 -4.50 4.18 -0.08 0.14 -4.02 116.55 108.65 1ss3 n ASP 33 Ca -0.01 0.67 -0.42 0.00 -1.51 0.00 0.00 54.79 53.52 1ss3 n ASP 33 Cb 0.48 -0.17 -0.03 0.00 2.34 0.00 0.00 41.12 43.75 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 4.05 5.50 0.83 0.00 0.15 -1.26 -4.83 113.70 118.14 1ss3 s SER 35 Ca 0.34 -2.51 0.00 0.00 0.70 0.00 0.00 55.95 54.48 1ss3 s SER 35 Cb -0.07 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1ss3 s SER 35 CO 0.00 -0.48 0.00 0.55 1.20 0.00 0.00 173.24 174.51 1ss3 n VAL 36 N 4.01 0.00 0.00 4.45 3.14 -1.26 -5.03 118.33 123.63 1ss3 n VAL 36 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1ss3 n VAL 36 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 1ss3 n VAL 36 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1ss3 n LYS 37 N -1.66 0.00 -1.64 1.45 4.81 -1.26 -5.10 118.16 114.77 1ss3 n LYS 37 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 58.31 56.95 1ss3 n LYS 37 Cb 0.00 -0.20 -0.05 0.00 0.02 0.00 0.00 35.03 34.81 1ss3 n LYS 37 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ss3 n ASP 38 N -1.38 2.50 -3.45 3.14 2.03 -1.26 -4.95 116.55 113.18 1ss3 n ASP 38 Ca 0.00 1.10 -0.27 0.00 0.52 0.00 0.00 54.79 56.14 1ss3 n ASP 38 Cb 0.00 -1.33 -0.10 0.00 -0.72 0.00 0.00 41.12 38.98 1ss3 n ASP 38 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ss3 n VAL 39 N 3.11 -0.67 0.00 5.18 0.31 -1.26 -4.85 118.33 120.14 1ss3 n VAL 39 Ca 0.18 -3.73 0.00 0.00 -0.01 0.00 0.00 64.34 60.78 1ss3 n VAL 39 Cb 0.25 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 2.53 0.00 -3.83 5.55 4.01 -1.26 -4.95 118.16 120.20 1ss3 n LYS 40 Ca 0.28 0.63 -0.06 0.00 -0.51 0.00 0.00 58.31 58.64 1ss3 n LYS 40 Cb 0.46 -1.35 0.02 0.00 -0.51 0.00 0.00 35.03 33.65 1ss3 n LYS 40 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1ss3 s GLU 41 N -2.39 1.81 -0.98 1.97 2.56 -1.26 -5.07 118.70 115.33 1ss3 s GLU 41 Ca 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 54.97 53.81 1ss3 s GLU 41 Cb 0.00 0.52 0.29 0.00 2.00 0.00 0.00 34.13 36.94 1ss3 s GLU 41 CO 0.00 -0.84 1.26 1.17 -0.56 0.00 0.00 175.26 176.29 1ss3 n LYS 42 N -0.58 3.90 -1.19 4.30 0.00 -1.26 -4.68 118.16 118.65 1ss3 n LYS 42 Ca -0.06 -4.57 -0.36 0.00 0.00 0.00 0.00 58.31 53.32 1ss3 n LYS 42 Cb 0.60 -2.46 0.07 0.00 0.00 0.00 0.00 35.03 33.24 1ss3 n LYS 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ss3 n LEU 43 N 1.39 -0.38 -3.86 3.14 4.32 -1.26 -5.01 117.00 115.34 1ss3 n LEU 43 Ca 0.26 0.54 -0.04 0.00 -0.02 0.00 0.00 56.01 56.75 1ss3 n LEU 43 Cb 0.35 -1.13 0.01 0.00 -1.62 0.00 0.00 43.42 41.03 1ss3 n LEU 43 CO 0.62 -3.61 0.78 -1.61 -1.22 0.00 0.00 177.39 172.35 1ss3 s GLU 44 N -2.58 1.37 -0.19 3.23 0.41 -1.26 -5.10 118.70 114.58 1ss3 s GLU 44 Ca 0.61 -0.87 -0.04 0.00 -0.41 0.00 0.00 54.97 54.27 1ss3 s GLU 44 Cb -0.34 0.39 0.02 0.00 -1.78 0.00 0.00 34.13 32.42 1ss3 s GLU 44 CO 0.62 -0.64 0.08 0.09 -0.49 0.00 0.00 175.26 174.92 1ss3 n ASN 45 N -1.13 -3.87 -2.85 -0.19 3.02 -1.26 -5.08 115.26 103.90 1ss3 n ASN 45 Ca -0.04 1.03 -0.01 0.00 -0.03 0.00 0.00 54.58 55.53 1ss3 n ASN 45 Cb 0.60 -4.17 0.01 0.00 -0.61 0.00 0.00 39.78 35.61 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ss3 s TYR 46 N -0.88 -0.98 -0.35 3.10 5.04 -1.26 -5.08 117.35 116.94 1ss3 s TYR 46 Ca -0.10 -0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.40 1ss3 s TYR 46 Cb 0.01 0.19 0.21 0.00 0.35 0.00 0.00 41.96 42.71 1ss3 s TYR 46 CO 0.58 -0.71 1.06 0.15 -1.34 0.00 0.00 175.55 175.29 1ss3 s LYS 47 N 1.45 0.27 0.13 4.97 1.02 -1.26 -5.14 119.74 121.18 1ss3 s LYS 47 Ca 0.21 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.64 1ss3 s LYS 47 Cb 0.03 -0.01 -0.08 0.00 -0.52 0.00 0.00 37.83 37.25 1ss3 s LYS 47 CO -0.10 -0.34 1.35 -1.25 -0.92 0.00 0.00 175.35 174.10 1ss3 s PRO 48 N 1.12 4.35 0.56 -1.68 0.04 -1.26 -4.97 135.00 133.16 1ss3 s PRO 48 Ca 0.23 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 1ss3 s PRO 48 Cb 0.10 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 1ss3 s PRO 48 CO -0.11 -0.38 0.50 1.17 0.04 0.00 0.00 177.00 178.22 1ss3 n LYS 49 N 3.66 0.49 0.00 4.56 4.81 -1.26 -5.35 118.16 125.07 1ss3 n LYS 49 Ca 0.10 0.19 0.14 0.00 -0.87 0.00 0.00 58.31 57.87 1ss3 n LYS 49 Cb 0.43 -1.66 0.81 0.00 0.02 0.00 0.00 35.03 34.62 1ss3 n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86