#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 -0.25 -1.24 1.02 -1.26 -4.45 120.64 114.45 1ss3 n GLU 2 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1ss3 n GLU 2 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 31.61 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 1.02 -1.14 0.62 0.00 -2.04 0.15 119.26 117.86 1ss3 h ALA 3 Ca 0.00 0.15 0.32 0.00 0.00 0.00 0.00 54.91 55.38 1ss3 h ALA 3 Cb 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1ss3 h ALA 3 CO 0.00 -0.30 0.76 1.96 0.00 0.00 0.00 179.25 181.67 1ss3 h GLN 4 N 0.33 0.23 0.11 0.00 4.20 -2.00 0.30 115.11 118.29 1ss3 h GLN 4 Ca 0.42 -0.01 -0.30 0.00 0.06 0.00 0.00 58.65 58.82 1ss3 h GLN 4 Cb 0.70 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1ss3 h GLN 4 CO -0.47 0.15 -1.58 0.35 -0.67 0.00 0.00 178.83 176.61 1ss3 h PHE 5 N 0.24 0.43 -0.41 2.96 3.04 -1.39 -3.19 116.94 118.61 1ss3 h PHE 5 Ca 0.64 -0.32 0.08 0.00 3.98 0.00 0.00 57.97 62.35 1ss3 h PHE 5 Cb 1.92 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.40 1ss3 h PHE 5 CO -0.00 1.62 0.28 -0.22 -2.02 0.00 0.00 178.31 177.97 1ss3 h LYS 6 N -0.25 0.20 -0.10 1.11 3.64 0.60 0.43 116.57 122.21 1ss3 h LYS 6 Ca -0.34 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 58.79 1ss3 h LYS 6 Cb 1.81 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1ss3 h LYS 6 CO 0.05 0.13 -0.86 0.93 -2.27 0.00 0.00 179.45 177.43 1ss3 h GLU 7 N 0.21 0.71 -0.31 1.90 5.08 -0.64 -1.76 114.58 119.77 1ss3 h GLU 7 Ca 0.19 -0.64 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 1ss3 h GLU 7 Cb 0.48 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ss3 h GLU 7 CO -0.03 1.24 -0.12 0.00 -1.00 0.00 0.00 179.01 179.09 1ss3 h TYR 9 N 0.39 -0.34 0.29 0.00 5.03 -0.29 0.57 116.97 122.61 1ss3 h TYR 9 Ca 0.07 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1ss3 h TYR 9 Cb 0.64 0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1ss3 h TYR 9 CO 0.06 -0.16 -0.14 0.22 -1.32 0.00 0.00 178.16 176.82 1ss3 h ASP 10 N -0.43 -0.32 -0.31 -2.11 3.58 -1.36 0.11 116.42 115.57 1ss3 h ASP 10 Ca -0.04 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 1ss3 h ASP 10 Cb 0.33 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1ss3 h ASP 10 CO 0.06 -0.23 -0.00 0.74 -2.88 0.00 0.00 179.24 176.92 1ss3 h THR 11 N -0.38 1.26 -0.59 2.25 2.02 -1.16 -1.52 112.91 114.80 1ss3 h THR 11 Ca -0.04 -0.96 0.06 0.00 0.77 0.00 0.00 66.41 66.24 1ss3 h THR 11 Cb 0.29 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1ss3 h THR 11 CO 0.06 0.31 0.30 0.00 0.37 0.00 0.00 175.52 176.57 1ss3 h HIS 13 N 0.57 0.78 0.18 0.00 6.17 -0.25 0.32 115.15 122.92 1ss3 h HIS 13 Ca 0.26 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.36 1ss3 h HIS 13 Cb 0.18 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.85 1ss3 h HIS 13 CO -0.10 0.34 -0.22 -0.22 0.71 0.00 0.00 177.93 178.44 1ss3 h LYS 14 N 0.70 -0.40 0.00 5.26 1.63 -0.22 0.21 116.57 123.76 1ss3 h LYS 14 Ca 0.39 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1ss3 h LYS 14 Cb 0.56 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1ss3 h LYS 14 CO -0.16 -0.26 0.00 -1.91 -3.45 0.00 0.00 179.45 173.67 1ss3 n GLU 15 N -3.68 0.02 -0.06 1.90 2.13 -1.01 -2.35 120.64 117.60 1ss3 n GLU 15 Ca -0.05 0.39 -0.02 0.00 0.66 0.00 0.00 57.16 58.15 1ss3 n GLU 15 Cb 0.19 -1.54 -0.01 0.00 0.27 0.00 0.00 31.44 30.36 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 -0.99 0.00 -0.98 0.00 0.87 -0.55 -0.40 113.55 111.50 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 0.19 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.06 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 0.59 0.00 6.23 3.58 -1.60 0.30 116.42 125.52 1ss3 h ASP 18 Ca 0.12 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1ss3 h ASP 18 Cb 0.82 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1ss3 h ASP 18 CO -0.00 0.20 0.03 0.29 -2.88 0.00 0.00 179.24 176.87 1ss3 n LYS 19 N -4.66 0.03 -1.00 0.28 4.76 -0.16 -4.79 118.16 112.62 1ss3 n LYS 19 Ca 0.23 0.51 -0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1ss3 n LYS 19 Cb 0.68 -1.62 -0.00 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.44 0.44 3.84 0.72 0.00 0.09 -5.05 105.19 103.80 1ss3 n GLY 20 Ca -0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.54 3.09 0.37 1.61 0.01 -1.25 -5.05 114.94 111.17 1ss3 s ASN 21 Ca 0.00 0.56 -0.25 0.00 -0.71 0.00 0.00 52.86 52.46 1ss3 s ASN 21 Cb 0.00 -0.82 -0.10 0.00 0.41 0.00 0.00 41.25 40.75 1ss3 s ASN 21 CO 0.00 -2.77 1.00 -0.83 -1.51 0.00 0.00 177.10 172.99 1ss3 s GLY 22 N -4.51 2.74 0.20 0.66 0.00 -1.26 -4.79 107.32 100.36 1ss3 s GLY 22 Ca 0.69 0.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.84 1ss3 s GLY 22 CO 0.53 1.04 1.60 0.27 0.00 0.00 0.00 173.10 176.53 1ss3 h PHE 23 N 2.76 -0.68 0.47 1.90 -0.00 -1.97 -0.20 116.94 119.22 1ss3 h PHE 23 Ca -0.48 0.07 -0.01 0.00 -0.00 0.00 0.00 57.97 57.55 1ss3 h PHE 23 Cb 1.20 0.39 -0.02 0.00 -0.00 0.00 0.00 35.95 37.53 1ss3 h PHE 23 CO 0.60 -0.34 -0.39 1.15 -0.00 0.00 0.00 178.31 179.33 1ss3 h THR 24 N -0.10 0.21 -0.18 0.88 2.02 -1.98 0.66 112.91 114.43 1ss3 h THR 24 Ca 0.26 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.49 1ss3 h THR 24 Cb 0.52 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1ss3 h THR 24 CO -0.67 0.00 -0.08 0.15 0.37 0.00 0.00 175.52 175.29 1ss3 h PHE 25 N -0.85 -0.18 -0.37 3.16 3.57 -1.91 0.12 116.94 120.48 1ss3 h PHE 25 Ca -0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1ss3 h PHE 25 Cb 0.73 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1ss3 h PHE 25 CO -0.18 -0.13 0.25 0.00 -2.23 0.00 0.00 178.31 176.03 1ss3 h GLU 27 N 0.33 -0.34 -0.59 0.00 5.08 0.15 0.23 114.58 119.45 1ss3 h GLU 27 Ca 0.15 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.71 1ss3 h GLU 27 Cb 0.20 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ss3 h GLU 27 CO -0.03 -0.22 0.43 0.52 -1.00 0.00 0.00 179.01 178.70 1ss3 h MET 28 N -0.44 0.00 0.18 2.33 2.86 -0.95 0.54 114.93 119.44 1ss3 h MET 28 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1ss3 h MET 28 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ss3 h MET 28 CO 0.06 0.00 -0.09 -0.22 1.06 0.00 0.00 176.91 177.72 1ss3 h LYS 29 N 0.00 -0.23 -1.15 1.72 3.11 -1.01 -3.14 116.57 115.87 1ss3 h LYS 29 Ca 0.28 0.02 0.33 0.00 -2.81 0.00 0.00 60.65 58.47 1ss3 h LYS 29 Cb 1.14 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.37 1ss3 h LYS 29 CO -0.00 -0.14 0.90 0.00 -2.81 0.00 0.00 179.45 177.40 1ss3 h ASP 31 N 0.00 -0.80 1.01 0.00 3.58 -0.97 -2.82 116.42 116.43 1ss3 h ASP 31 Ca 0.54 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 58.00 1ss3 h ASP 31 Cb 2.33 0.21 -0.00 0.00 1.72 0.00 0.00 39.33 43.59 1ss3 h ASP 31 CO -0.01 -0.56 -0.11 0.74 -2.88 0.00 0.00 179.24 176.43 1ss3 h THR 32 N -0.91 0.28 0.00 2.25 2.02 -1.29 -3.27 112.91 111.99 1ss3 h THR 32 Ca -0.09 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1ss3 h THR 32 Cb 0.70 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1ss3 h THR 32 CO 0.14 0.11 0.00 -0.67 0.37 0.00 0.00 175.52 175.47 1ss3 n ASP 33 N -3.25 0.00 -2.01 4.18 -0.08 0.13 -3.30 116.55 112.22 1ss3 n ASP 33 Ca 0.00 0.94 -0.15 0.00 -1.51 0.00 0.00 54.79 54.07 1ss3 n ASP 33 Cb 0.38 -0.44 -0.05 0.00 2.34 0.00 0.00 41.12 43.35 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 1.04 -1.09 1.15 0.00 0.15 -1.21 -4.98 113.70 108.76 1ss3 s SER 35 Ca 0.42 -0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.84 1ss3 s SER 35 Cb 0.26 1.60 0.25 0.00 -1.71 0.00 0.00 66.02 66.42 1ss3 s SER 35 CO -0.06 -0.18 1.06 0.52 1.20 0.00 0.00 173.24 175.78 1ss3 n VAL 36 N 4.96 0.00 -3.60 4.45 0.31 -1.26 -4.64 118.33 118.55 1ss3 n VAL 36 Ca 0.07 -0.59 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 1ss3 n VAL 36 Cb 0.57 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 32.11 1ss3 n VAL 36 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ss3 s LYS 37 N -5.37 0.62 0.12 5.55 2.20 -1.26 -5.11 119.74 116.48 1ss3 s LYS 37 Ca 0.65 0.38 0.07 0.00 -0.36 0.00 0.00 55.97 56.71 1ss3 s LYS 37 Cb -0.05 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.53 1ss3 s LYS 37 CO 0.49 -0.15 -0.06 0.34 -0.36 0.00 0.00 175.35 175.61 1ss3 s ASP 38 N -0.51 4.59 -0.46 1.43 2.15 -1.26 -5.09 116.67 117.53 1ss3 s ASP 38 Ca -0.01 -0.35 0.05 0.00 0.43 0.00 0.00 52.55 52.68 1ss3 s ASP 38 Cb -0.02 -0.94 0.18 0.00 -0.30 0.00 0.00 42.92 41.83 1ss3 s ASP 38 CO -0.01 0.16 0.52 -0.69 -0.17 0.00 0.00 175.17 174.99 1ss3 s VAL 39 N -1.35 -0.32 0.17 1.11 1.01 -1.26 -5.13 120.40 114.63 1ss3 s VAL 39 Ca 0.24 -1.81 -0.33 0.00 0.00 0.00 0.00 61.98 60.07 1ss3 s VAL 39 Cb -0.11 -0.64 -0.15 0.00 0.00 0.00 0.00 36.38 35.48 1ss3 s VAL 39 CO 0.16 -0.63 1.32 0.29 0.00 0.00 0.00 175.10 176.23 1ss3 n LYS 40 N 2.95 1.51 -2.96 2.72 5.02 -1.26 -4.97 118.16 121.17 1ss3 n LYS 40 Ca 0.24 0.54 -0.27 0.00 -2.02 0.00 0.00 58.31 56.79 1ss3 n LYS 40 Cb 0.52 -2.15 -0.01 0.00 -0.02 0.00 0.00 35.03 33.37 1ss3 n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ss3 s GLU 41 N -0.01 3.58 -1.30 1.97 2.12 -1.26 -4.98 118.70 118.84 1ss3 s GLU 41 Ca 0.75 0.09 -0.18 0.00 0.36 0.00 0.00 54.97 56.00 1ss3 s GLU 41 Cb -0.80 -2.49 0.06 0.00 0.26 0.00 0.00 34.13 31.15 1ss3 s GLU 41 CO 0.48 -0.03 1.78 1.17 -0.54 0.00 0.00 175.26 178.13 1ss3 n LYS 42 N -1.76 3.05 -0.96 4.30 4.81 -1.26 -4.97 118.16 121.37 1ss3 n LYS 42 Ca -0.01 -3.17 -0.35 0.00 -0.87 0.00 0.00 58.31 53.91 1ss3 n LYS 42 Cb 0.55 -3.50 0.07 0.00 0.02 0.00 0.00 35.03 32.17 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 8.72 -3.34 -3.49 3.14 -0.00 -1.26 -5.04 117.00 115.72 1ss3 n LEU 43 Ca 0.49 0.29 -0.14 0.00 -0.00 0.00 0.00 56.01 56.64 1ss3 n LEU 43 Cb 0.46 -0.96 -0.04 0.00 -0.00 0.00 0.00 43.42 42.87 1ss3 n LEU 43 CO 0.77 -4.91 0.48 -1.61 -0.00 0.00 0.00 177.39 172.12 1ss3 s GLU 44 N -2.60 1.06 0.00 1.47 0.41 -1.26 -5.17 118.70 112.61 1ss3 s GLU 44 Ca 0.49 -0.03 0.00 0.00 -0.41 0.00 0.00 54.97 55.02 1ss3 s GLU 44 Cb -0.22 0.50 0.00 0.00 -1.78 0.00 0.00 34.13 32.63 1ss3 s GLU 44 CO 0.75 -0.39 0.00 0.27 -0.49 0.00 0.00 175.26 175.40 1ss3 n ASN 45 N 0.38 0.00 -3.60 -0.19 6.94 -1.26 -5.20 115.26 112.34 1ss3 n ASN 45 Ca -0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.35 1ss3 n ASN 45 Cb 0.60 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.00 1ss3 n ASN 45 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1ss3 s TYR 46 N -0.81 -0.12 0.17 -2.53 5.04 -1.26 -5.19 117.35 112.64 1ss3 s TYR 46 Ca 0.00 0.08 0.03 0.00 -2.44 0.00 0.00 57.07 54.74 1ss3 s TYR 46 Cb 0.00 0.51 -0.05 0.00 0.35 0.00 0.00 41.96 42.78 1ss3 s TYR 46 CO 0.00 -0.19 -0.04 0.15 -1.34 0.00 0.00 175.55 174.13 1ss3 s LYS 47 N -2.34 1.11 0.58 4.97 1.02 -1.26 -5.17 119.74 118.66 1ss3 s LYS 47 Ca 0.09 -1.51 -0.10 0.00 0.02 0.00 0.00 55.97 54.47 1ss3 s LYS 47 Cb -0.01 -0.44 0.14 0.00 -0.52 0.00 0.00 37.83 37.00 1ss3 s LYS 47 CO -0.04 -0.04 0.55 -0.35 -0.92 0.00 0.00 175.35 174.54 1ss3 n PRO 48 N -0.24 -1.88 -3.70 -1.68 -0.04 -1.26 -5.11 135.00 121.10 1ss3 n PRO 48 Ca -0.08 -0.87 -0.14 0.00 -0.04 0.00 0.00 63.50 62.37 1ss3 n PRO 48 Cb 0.62 -0.78 -0.09 0.00 -0.04 0.00 0.00 33.50 33.21 1ss3 n PRO 48 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ss3 s LYS 49 N -4.24 0.62 0.00 0.54 0.00 -1.26 -5.36 119.74 110.04 1ss3 s LYS 49 Ca 0.35 0.66 0.00 0.00 0.00 0.00 0.00 55.97 56.98 1ss3 s LYS 49 Cb -0.03 0.30 0.00 0.00 0.00 0.00 0.00 37.83 38.10 1ss3 s LYS 49 CO 0.26 -0.08 0.20 0.09 0.00 0.00 0.00 175.35 175.82