#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 0.00 -0.05 -0.67 1.02 -1.26 -5.01 120.64 114.67 1ss3 n GLU 2 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1ss3 n GLU 2 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 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 0.00 0.24 -1.24 0.62 0.00 -2.05 0.18 119.26 117.02 1ss3 h ALA 3 Ca 0.00 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 55.16 1ss3 h ALA 3 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 1ss3 h ALA 3 CO 0.00 -0.17 0.85 1.96 0.00 0.00 0.00 179.25 181.89 1ss3 h GLN 4 N 0.15 0.13 0.09 0.00 4.20 -1.99 0.20 115.11 117.89 1ss3 h GLN 4 Ca 0.06 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.50 1ss3 h GLN 4 Cb 0.17 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1ss3 h GLN 4 CO -0.01 0.09 -1.39 0.35 -0.67 0.00 0.00 178.83 177.20 1ss3 h PHE 5 N 0.14 0.33 -0.46 2.96 3.04 -1.86 -3.24 116.94 117.86 1ss3 h PHE 5 Ca 0.65 -0.24 0.13 0.00 3.98 0.00 0.00 57.97 62.49 1ss3 h PHE 5 Cb 2.23 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 40.70 1ss3 h PHE 5 CO -0.00 1.54 0.36 -0.22 -2.02 0.00 0.00 178.31 177.97 1ss3 h LYS 6 N -0.43 0.00 0.04 1.11 3.64 0.15 0.33 116.57 121.40 1ss3 h LYS 6 Ca -0.31 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.79 1ss3 h LYS 6 Cb 1.67 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.51 1ss3 h LYS 6 CO 0.00 0.00 -1.10 0.93 -2.27 0.00 0.00 179.45 177.01 1ss3 h GLU 7 N 0.00 0.68 -0.33 1.90 3.07 -0.86 -1.69 114.58 117.36 1ss3 h GLU 7 Ca 0.22 -0.78 -0.09 0.00 -0.50 0.00 0.00 59.36 58.21 1ss3 h GLU 7 Cb 0.94 0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1ss3 h GLU 7 CO -0.00 1.35 -0.13 0.00 -1.40 0.00 0.00 179.01 178.83 1ss3 h TYR 9 N 0.44 -0.29 0.31 0.00 5.03 -0.53 0.63 116.97 122.56 1ss3 h TYR 9 Ca 0.08 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1ss3 h TYR 9 Cb 0.65 0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1ss3 h TYR 9 CO 0.06 -0.12 -0.15 0.22 -1.32 0.00 0.00 178.16 176.85 1ss3 h ASP 10 N -0.40 -0.35 -0.42 -2.11 3.58 -1.32 0.25 116.42 115.64 1ss3 h ASP 10 Ca -0.03 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 1ss3 h ASP 10 Cb 0.31 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1ss3 h ASP 10 CO 0.05 -0.20 0.11 0.74 -2.88 0.00 0.00 179.24 177.06 1ss3 h THR 11 N -0.48 1.23 -0.49 2.25 2.02 -0.88 -1.71 112.91 114.85 1ss3 h THR 11 Ca -0.04 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1ss3 h THR 11 Cb 0.36 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 1ss3 h THR 11 CO 0.07 0.28 0.19 0.00 0.37 0.00 0.00 175.52 176.43 1ss3 h HIS 13 N 0.38 1.09 0.59 0.00 6.17 -0.21 0.66 115.15 123.83 1ss3 h HIS 13 Ca 0.23 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.32 1ss3 h HIS 13 Cb 0.22 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.79 1ss3 h HIS 13 CO -0.15 0.43 -0.45 -0.22 0.71 0.00 0.00 177.93 178.25 1ss3 h LYS 14 N 0.95 -0.97 0.00 5.26 3.11 -0.38 0.62 116.57 125.16 1ss3 h LYS 14 Ca 0.49 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 1ss3 h LYS 14 Cb 0.52 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1ss3 h LYS 14 CO -0.25 -0.65 0.00 -1.91 -2.81 0.00 0.00 179.45 173.83 1ss3 n GLU 15 N -5.22 0.00 -0.04 1.90 2.13 -0.86 -2.90 120.64 115.65 1ss3 n GLU 15 Ca -0.12 0.34 -0.01 0.00 0.66 0.00 0.00 57.16 58.02 1ss3 n GLU 15 Cb 0.44 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.64 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 -0.74 0.00 -0.98 0.00 0.87 -0.94 0.62 113.55 112.38 1ss3 h SER 17 Ca 0.00 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.77 1ss3 h SER 17 Cb 0.13 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.00 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 0.57 0.00 6.23 3.58 -1.62 0.89 116.42 126.07 1ss3 h ASP 18 Ca 0.26 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1ss3 h ASP 18 Cb 1.34 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.36 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 -4.64 0.08 -0.90 0.28 4.76 0.21 -4.80 118.16 113.16 1ss3 n LYS 19 Ca 0.22 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 1ss3 n LYS 19 Cb 0.69 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.36 0.64 3.60 0.72 0.00 0.31 -5.04 105.19 104.05 1ss3 n GLY 20 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.22 0.96 0.51 1.61 2.20 -1.25 -5.06 114.94 111.69 1ss3 s ASN 21 Ca 0.00 0.63 -0.12 0.00 -0.94 0.00 0.00 52.86 52.43 1ss3 s ASN 21 Cb 0.00 -0.87 -0.06 0.00 -2.00 0.00 0.00 41.25 38.32 1ss3 s ASN 21 CO 0.00 -4.10 0.91 -0.83 -2.94 0.00 0.00 177.10 170.15 1ss3 s GLY 22 N -3.90 1.83 0.07 0.45 0.00 -1.26 -4.79 107.32 99.72 1ss3 s GLY 22 Ca 0.71 -0.10 -0.33 0.00 0.00 0.00 0.00 44.72 45.00 1ss3 s GLY 22 CO 0.56 0.14 1.62 -2.75 0.00 0.00 0.00 173.10 172.67 1ss3 h PHE 23 N 0.54 -0.87 0.01 1.90 3.04 -1.97 -0.05 116.94 119.54 1ss3 h PHE 23 Ca -0.46 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.50 1ss3 h PHE 23 Cb 1.19 0.30 -0.05 0.00 2.56 0.00 0.00 35.95 39.94 1ss3 h PHE 23 CO 0.63 -0.52 -0.46 1.15 -2.02 0.00 0.00 178.31 177.09 1ss3 h THR 24 N -0.89 0.10 -0.90 4.41 2.02 -1.99 0.16 112.91 115.83 1ss3 h THR 24 Ca -0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.19 1ss3 h THR 24 Cb 0.70 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1ss3 h THR 24 CO 0.12 0.00 0.58 0.15 0.37 0.00 0.00 175.52 176.74 1ss3 h PHE 25 N -0.62 0.99 -0.69 3.16 3.57 -1.97 0.60 116.94 121.99 1ss3 h PHE 25 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ss3 h PHE 25 Cb 0.68 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1ss3 h PHE 25 CO -0.45 0.47 0.36 0.00 -2.23 0.00 0.00 178.31 176.46 1ss3 h GLU 27 N 0.97 -0.51 -0.43 0.00 5.08 0.15 0.37 114.58 120.22 1ss3 h GLU 27 Ca 0.24 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 1ss3 h GLU 27 Cb 0.06 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1ss3 h GLU 27 CO -0.04 -0.34 0.51 1.98 -1.00 0.00 0.00 179.01 180.13 1ss3 h MET 28 N -0.59 0.00 0.00 2.33 4.05 -1.31 0.26 114.93 119.67 1ss3 h MET 28 Ca -0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1ss3 h MET 28 Cb 0.40 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1ss3 h MET 28 CO 0.09 0.00 -0.15 -0.22 0.23 0.00 0.00 176.91 176.86 1ss3 h LYS 29 N 0.00 0.00 -1.38 0.39 3.11 -1.33 -3.30 116.57 114.06 1ss3 h LYS 29 Ca 0.20 0.00 0.40 0.00 -2.81 0.00 0.00 60.65 58.44 1ss3 h LYS 29 Cb 1.22 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.40 1ss3 h LYS 29 CO -0.00 0.00 1.07 0.00 -2.81 0.00 0.00 179.45 177.71 1ss3 h ASP 31 N 0.00 -0.73 1.14 0.00 1.82 -0.67 -3.05 116.42 114.92 1ss3 h ASP 31 Ca 0.66 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.32 1ss3 h ASP 31 Cb 2.79 0.19 0.00 0.00 0.68 0.00 0.00 39.33 42.99 1ss3 h ASP 31 CO -0.01 -0.50 0.00 0.74 -1.61 0.00 0.00 179.24 177.86 1ss3 h THR 32 N -0.91 0.00 0.04 2.25 2.02 -1.28 -3.34 112.91 111.69 1ss3 h THR 32 Ca -0.09 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1ss3 h THR 32 Cb 0.66 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1ss3 h THR 32 CO 0.15 0.00 -0.03 -0.78 0.37 0.00 0.00 175.52 175.23 1ss3 h ASP 33 N 0.00 -0.07 -0.11 4.18 1.82 0.23 -3.22 116.42 119.25 1ss3 h ASP 33 Ca 0.00 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.06 1ss3 h ASP 33 Cb 0.57 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.59 1ss3 h ASP 33 CO 0.00 -0.04 2.94 0.00 -1.61 0.00 0.00 179.24 180.52 1ss3 s SER 35 N 1.96 -0.08 1.02 0.00 0.01 -1.22 -5.00 113.70 110.40 1ss3 s SER 35 Ca 0.68 0.11 -0.14 0.00 1.31 0.00 0.00 55.95 57.90 1ss3 s SER 35 Cb 0.21 0.09 0.19 0.00 0.21 0.00 0.00 66.02 66.72 1ss3 s SER 35 CO -0.06 -0.06 1.10 0.52 0.41 0.00 0.00 173.24 175.16 1ss3 n VAL 36 N 0.83 0.00 -2.00 3.43 0.31 -1.26 -4.87 118.33 114.77 1ss3 n VAL 36 Ca -0.04 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 1ss3 n VAL 36 Cb 0.58 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.96 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 -3.45 0.00 -3.76 5.55 4.81 -1.26 -5.02 118.16 115.04 1ss3 n LYS 37 Ca 0.14 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 1ss3 n LYS 37 Cb 0.49 0.00 -0.18 0.00 0.02 0.00 0.00 35.03 35.36 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 2.00 1.42 -0.40 3.14 2.15 -1.26 -5.08 116.67 118.64 1ss3 s ASP 38 Ca 0.00 -0.04 0.04 0.00 0.43 0.00 0.00 52.55 52.98 1ss3 s ASP 38 Cb 0.00 -0.36 0.16 0.00 -0.30 0.00 0.00 42.92 42.43 1ss3 s ASP 38 CO 0.00 -0.20 0.43 -0.69 -0.17 0.00 0.00 175.17 174.54 1ss3 s VAL 39 N 1.97 -0.36 0.53 1.11 1.01 -1.26 -5.14 120.40 118.26 1ss3 s VAL 39 Ca 0.04 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 1ss3 s VAL 39 Cb -0.12 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 1ss3 s VAL 39 CO -0.04 -0.58 0.48 0.29 0.00 0.00 0.00 175.10 175.25 1ss3 n LYS 40 N 3.86 0.50 -0.62 2.72 5.02 -1.26 -4.92 118.16 123.46 1ss3 n LYS 40 Ca 0.15 0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 56.32 1ss3 n LYS 40 Cb 0.48 -1.61 0.20 0.00 -0.02 0.00 0.00 35.03 34.07 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ss3 n GLU 41 N 0.21 -1.65 -3.51 1.97 2.13 -1.26 -4.94 120.64 113.60 1ss3 n GLU 41 Ca 0.11 -0.45 -0.41 0.00 0.66 0.00 0.00 57.16 57.07 1ss3 n GLU 41 Cb 0.46 -1.96 -0.05 0.00 0.27 0.00 0.00 31.44 30.16 1ss3 n GLU 41 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ss3 s LYS 42 N -3.94 3.30 0.75 5.31 2.47 -1.26 -5.05 119.74 121.32 1ss3 s LYS 42 Ca 0.62 -2.75 -0.16 0.00 -1.56 0.00 0.00 55.97 52.12 1ss3 s LYS 42 Cb -0.19 -4.14 -0.06 0.00 -1.46 0.00 0.00 37.83 31.98 1ss3 s LYS 42 CO 0.65 -1.24 0.30 1.47 0.16 0.00 0.00 175.35 176.69 1ss3 n LEU 43 N 3.33 -0.49 -3.85 5.43 -0.00 -1.26 -5.02 117.00 115.14 1ss3 n LEU 43 Ca 0.15 0.53 -0.10 0.00 -0.00 0.00 0.00 56.01 56.59 1ss3 n LEU 43 Cb 0.41 -1.13 0.01 0.00 -0.00 0.00 0.00 43.42 42.72 1ss3 n LEU 43 CO 0.36 -3.66 0.47 -1.61 -0.00 0.00 0.00 177.39 172.95 1ss3 s GLU 44 N -2.56 2.19 0.00 1.47 2.02 -1.26 -5.18 118.70 115.38 1ss3 s GLU 44 Ca 0.61 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1ss3 s GLU 44 Cb -0.34 0.60 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1ss3 s GLU 44 CO 0.62 -1.01 0.00 0.09 0.02 0.00 0.00 175.26 174.98 1ss3 n ASN 45 N -1.42 0.00 -3.58 -0.19 3.02 -1.26 -5.20 115.26 106.63 1ss3 n ASN 45 Ca -0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.37 1ss3 n ASN 45 Cb 0.60 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.73 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ss3 s TYR 46 N -2.00 0.60 -0.65 3.10 1.13 -1.26 -5.11 117.35 113.16 1ss3 s TYR 46 Ca 0.00 -0.95 0.05 0.00 -1.41 0.00 0.00 57.07 54.76 1ss3 s TYR 46 Cb 0.00 0.17 0.19 0.00 -1.10 0.00 0.00 41.96 41.22 1ss3 s TYR 46 CO 0.00 -1.12 0.55 1.17 -2.51 0.00 0.00 175.55 173.64 1ss3 n LYS 47 N -0.47 1.83 -2.07 -3.49 0.00 -1.26 -5.09 118.16 107.62 1ss3 n LYS 47 Ca -0.02 -4.37 -0.41 0.00 0.00 0.00 0.00 58.31 53.51 1ss3 n LYS 47 Cb 0.62 -2.18 -0.02 0.00 0.00 0.00 0.00 35.03 33.44 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 -1.59 4.31 1.02 1.64 0.04 -1.26 -4.99 135.00 134.17 1ss3 s PRO 48 Ca 0.30 2.25 -0.17 0.00 0.04 0.00 0.00 61.00 63.43 1ss3 s PRO 48 Cb 0.02 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.49 1ss3 s PRO 48 CO -0.13 -0.32 -0.03 1.17 0.04 0.00 0.00 177.00 177.74 1ss3 n LYS 49 N 1.71 -0.72 0.00 4.56 0.00 -1.26 -5.35 118.16 117.10 1ss3 n LYS 49 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 58.31 58.16 1ss3 n LYS 49 Cb 0.41 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1ss3 n LYS 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67