#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 -0.20 -1.24 1.02 -1.26 -4.50 120.64 114.46 1ss3 n GLU 2 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1ss3 n GLU 2 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 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 0.57 -1.35 0.62 0.00 -2.04 0.22 119.26 117.27 1ss3 h ALA 3 Ca 0.00 0.20 0.40 0.00 0.00 0.00 0.00 54.91 55.51 1ss3 h ALA 3 Cb 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 1ss3 h ALA 3 CO 0.00 -0.40 0.93 1.96 0.00 0.00 0.00 179.25 181.73 1ss3 h GLN 4 N 0.10 0.10 0.10 0.00 1.08 -2.00 0.33 115.11 114.83 1ss3 h GLN 4 Ca 0.32 -0.01 -0.33 0.00 -1.45 0.00 0.00 58.65 57.18 1ss3 h GLN 4 Cb 0.51 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1ss3 h GLN 4 CO -0.54 0.07 -1.78 0.35 -0.95 0.00 0.00 178.83 175.97 1ss3 h PHE 5 N 0.10 0.40 -0.32 2.96 3.04 -1.11 -3.20 116.94 118.81 1ss3 h PHE 5 Ca 0.72 -0.29 0.09 0.00 3.98 0.00 0.00 57.97 62.47 1ss3 h PHE 5 Cb 2.50 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.98 1ss3 h PHE 5 CO -0.00 1.70 0.23 -0.22 -2.02 0.00 0.00 178.31 178.00 1ss3 h LYS 6 N -0.18 0.00 0.07 1.11 1.63 0.16 0.39 116.57 119.76 1ss3 h LYS 6 Ca -0.39 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.16 1ss3 h LYS 6 Cb 1.87 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1ss3 h LYS 6 CO 0.03 0.00 -1.11 0.93 -3.45 0.00 0.00 179.45 175.86 1ss3 h GLU 7 N 0.00 0.29 -0.19 1.90 4.39 -0.62 -1.86 114.58 118.49 1ss3 h GLU 7 Ca 0.15 -0.41 -0.13 0.00 0.34 0.00 0.00 59.36 59.31 1ss3 h GLU 7 Cb 0.62 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1ss3 h GLU 7 CO -0.00 1.15 -0.39 0.00 -1.16 0.00 0.00 179.01 178.60 1ss3 h TYR 9 N 0.27 -0.18 0.23 0.00 5.03 -0.40 0.69 116.97 122.60 1ss3 h TYR 9 Ca 0.00 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1ss3 h TYR 9 Cb 0.99 0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.34 1ss3 h TYR 9 CO 0.09 -0.01 -0.11 0.22 -1.32 0.00 0.00 178.16 177.03 1ss3 h ASP 10 N -0.32 -0.26 -0.36 -2.11 3.58 -1.41 0.12 116.42 115.67 1ss3 h ASP 10 Ca -0.02 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 1ss3 h ASP 10 Cb 0.26 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1ss3 h ASP 10 CO 0.03 -0.13 0.08 0.74 -2.88 0.00 0.00 179.24 177.09 1ss3 h THR 11 N -0.37 1.23 -0.49 2.25 2.02 -1.14 -1.76 112.91 114.64 1ss3 h THR 11 Ca -0.03 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.43 1ss3 h THR 11 Cb 0.28 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 1ss3 h THR 11 CO 0.05 0.26 0.22 0.00 0.37 0.00 0.00 175.52 176.43 1ss3 h HIS 13 N 0.44 1.07 0.10 0.00 6.17 -0.18 0.41 115.15 123.15 1ss3 h HIS 13 Ca 0.22 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.34 1ss3 h HIS 13 Cb 0.17 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 1ss3 h HIS 13 CO -0.12 0.35 -0.19 -0.22 0.71 0.00 0.00 177.93 178.46 1ss3 h LYS 14 N 0.87 -0.30 0.00 5.26 3.64 -0.33 0.50 116.57 126.22 1ss3 h LYS 14 Ca 0.52 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1ss3 h LYS 14 Cb 0.63 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ss3 h LYS 14 CO -0.31 -0.20 0.00 -1.91 -2.27 0.00 0.00 179.45 174.76 1ss3 n GLU 15 N -3.48 0.10 -0.03 1.90 2.13 -0.97 -2.11 120.64 118.19 1ss3 n GLU 15 Ca -0.04 0.53 -0.00 0.00 0.66 0.00 0.00 57.16 58.31 1ss3 n GLU 15 Cb 0.15 -1.79 -0.00 0.00 0.27 0.00 0.00 31.44 30.07 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 -0.52 0.00 -0.96 0.00 0.87 0.02 0.18 113.55 113.14 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 0.03 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.91 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 0.54 0.00 6.23 3.58 -1.53 0.18 116.42 125.42 1ss3 h ASP 18 Ca 0.20 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1ss3 h ASP 18 Cb 1.24 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1ss3 h ASP 18 CO -0.00 0.20 0.05 0.29 -2.88 0.00 0.00 179.24 176.89 1ss3 n LYS 19 N -4.60 0.07 -0.97 0.28 4.76 0.62 -4.77 118.16 113.55 1ss3 n LYS 19 Ca 0.21 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1ss3 n LYS 19 Cb 0.67 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.37 0.45 3.90 0.72 0.00 0.63 -5.04 105.19 104.47 1ss3 n GLY 20 Ca -0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 2.71 0.46 1.61 0.01 -1.25 -5.06 114.94 110.88 1ss3 s ASN 21 Ca 0.00 0.25 -0.20 0.00 -0.71 0.00 0.00 52.86 52.19 1ss3 s ASN 21 Cb 0.00 -0.26 -0.10 0.00 0.41 0.00 0.00 41.25 41.30 1ss3 s ASN 21 CO 0.00 -2.98 0.99 -0.83 -1.51 0.00 0.00 177.10 172.77 1ss3 s GLY 22 N -4.82 2.42 0.09 0.66 0.00 -1.26 -4.82 107.32 99.58 1ss3 s GLY 22 Ca 0.75 0.47 -0.31 0.00 0.00 0.00 0.00 44.72 45.63 1ss3 s GLY 22 CO 0.54 0.77 1.62 0.74 0.00 0.00 0.00 173.10 176.77 1ss3 h PHE 23 N 1.70 -0.85 -0.10 1.90 0.04 -1.97 -0.15 116.94 117.50 1ss3 h PHE 23 Ca -0.49 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.31 1ss3 h PHE 23 Cb 1.20 0.32 -0.06 0.00 2.20 0.00 0.00 35.95 39.61 1ss3 h PHE 23 CO 0.60 -0.47 -0.51 1.15 -0.60 0.00 0.00 178.31 178.48 1ss3 h THR 24 N -0.71 0.03 -0.33 -1.55 2.02 -1.98 0.71 112.91 111.10 1ss3 h THR 24 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 1ss3 h THR 24 Cb 0.62 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1ss3 h THR 24 CO -0.02 0.00 -0.04 0.15 0.37 0.00 0.00 175.52 175.98 1ss3 h PHE 25 N -0.59 -0.09 -0.46 3.16 3.57 -1.95 0.14 116.94 120.73 1ss3 h PHE 25 Ca 0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1ss3 h PHE 25 Cb 0.68 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1ss3 h PHE 25 CO -0.55 -0.10 0.30 0.00 -2.23 0.00 0.00 178.31 175.74 1ss3 h GLU 27 N 0.47 -0.40 -0.66 0.00 5.08 0.27 0.30 114.58 119.64 1ss3 h GLU 27 Ca 0.19 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.76 1ss3 h GLU 27 Cb 0.16 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1ss3 h GLU 27 CO -0.05 -0.27 0.47 0.52 -1.00 0.00 0.00 179.01 178.69 1ss3 h MET 28 N -0.56 0.02 0.17 2.33 2.86 -0.76 0.11 114.93 119.11 1ss3 h MET 28 Ca -0.04 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1ss3 h MET 28 Cb 0.32 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ss3 h MET 28 CO 0.07 0.02 -0.08 -0.22 1.06 0.00 0.00 176.91 177.75 1ss3 h LYS 29 N 0.03 -0.22 -1.15 1.72 1.63 -0.96 -3.13 116.57 114.49 1ss3 h LYS 29 Ca 0.32 0.02 0.33 0.00 -0.85 0.00 0.00 60.65 60.46 1ss3 h LYS 29 Cb 1.23 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.86 1ss3 h LYS 29 CO -0.01 -0.15 0.93 0.00 -3.45 0.00 0.00 179.45 176.77 1ss3 h ASP 31 N 0.00 -0.93 0.82 0.00 1.82 -0.86 -2.73 116.42 114.53 1ss3 h ASP 31 Ca 0.55 0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 57.16 1ss3 h ASP 31 Cb 2.40 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 42.64 1ss3 h ASP 31 CO -0.01 -0.66 -0.27 0.74 -1.61 0.00 0.00 179.24 177.43 1ss3 h THR 32 N -1.09 0.70 0.00 2.25 2.02 -0.99 -3.33 112.91 112.47 1ss3 h THR 32 Ca -0.11 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1ss3 h THR 32 Cb 0.84 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1ss3 h THR 32 CO 0.18 0.27 0.00 -0.67 0.37 0.00 0.00 175.52 175.67 1ss3 n ASP 33 N -3.49 0.00 -3.22 4.18 2.03 0.14 -3.09 116.55 113.09 1ss3 n ASP 33 Ca -0.00 0.85 -0.37 0.00 0.52 0.00 0.00 54.79 55.79 1ss3 n ASP 33 Cb 0.44 -0.35 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 1.57 0.01 1.03 0.00 0.15 -1.18 -4.96 113.70 110.31 1ss3 s SER 35 Ca 0.65 0.57 -0.10 0.00 0.70 0.00 0.00 55.95 57.77 1ss3 s SER 35 Cb 0.20 0.56 0.14 0.00 -1.71 0.00 0.00 66.02 65.21 1ss3 s SER 35 CO -0.07 -0.20 0.73 0.52 1.20 0.00 0.00 173.24 175.42 1ss3 n VAL 36 N 4.75 0.00 -3.38 4.45 0.31 -1.26 -4.96 118.33 118.23 1ss3 n VAL 36 Ca -0.16 -0.49 0.02 0.00 -0.01 0.00 0.00 64.34 63.69 1ss3 n VAL 36 Cb 0.52 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 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 -4.61 0.21 0.24 5.55 2.20 -1.26 -5.14 119.74 116.93 1ss3 s LYS 37 Ca 0.43 0.49 0.06 0.00 -0.36 0.00 0.00 55.97 56.58 1ss3 s LYS 37 Cb -0.02 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1ss3 s LYS 37 CO 0.31 -0.07 -0.07 0.34 -0.36 0.00 0.00 175.35 175.50 1ss3 s ASP 38 N 2.10 2.44 -0.43 1.43 2.15 -1.26 -5.10 116.67 118.01 1ss3 s ASP 38 Ca -0.03 -1.14 0.07 0.00 0.43 0.00 0.00 52.55 51.88 1ss3 s ASP 38 Cb -0.04 -0.11 0.23 0.00 -0.30 0.00 0.00 42.92 42.70 1ss3 s ASP 38 CO -0.16 -0.33 0.59 0.52 -0.17 0.00 0.00 175.17 175.62 1ss3 n VAL 39 N -0.47 -0.57 -1.63 1.11 0.31 -1.26 -5.11 118.33 110.70 1ss3 n VAL 39 Ca -0.06 -3.13 -0.57 0.00 -0.01 0.00 0.00 64.34 60.56 1ss3 n VAL 39 Cb 0.62 -0.90 -0.07 0.00 -0.91 0.00 0.00 33.84 32.58 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 1.79 0.75 -2.15 5.55 4.76 -1.26 -4.93 118.16 122.67 1ss3 n LYS 40 Ca 0.19 0.27 -0.29 0.00 -2.87 0.00 0.00 58.31 55.62 1ss3 n LYS 40 Cb 0.55 -1.88 0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1ss3 n LYS 40 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ss3 s GLU 41 N 1.67 3.21 -1.33 1.97 8.01 -1.26 -4.95 118.70 126.01 1ss3 s GLU 41 Ca 0.93 0.37 -0.16 0.00 0.01 0.00 0.00 54.97 56.12 1ss3 s GLU 41 Cb -1.13 -2.17 0.08 0.00 -4.31 0.00 0.00 34.13 26.60 1ss3 s GLU 41 CO 0.60 -0.67 1.84 1.17 0.01 0.00 0.00 175.26 178.21 1ss3 n LYS 42 N -2.69 3.15 -1.65 1.61 4.81 -1.26 -4.95 118.16 117.18 1ss3 n LYS 42 Ca 0.05 -3.18 -0.60 0.00 -0.87 0.00 0.00 58.31 53.71 1ss3 n LYS 42 Cb 0.56 -3.37 -0.08 0.00 0.02 0.00 0.00 35.03 32.16 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 7.34 1.40 -3.63 3.14 -0.00 -1.26 -4.93 117.00 119.06 1ss3 n LEU 43 Ca 0.48 1.13 -0.07 0.00 -0.00 0.00 0.00 56.01 57.55 1ss3 n LEU 43 Cb 0.43 -1.03 -0.06 0.00 -0.00 0.00 0.00 43.42 42.76 1ss3 n LEU 43 CO 0.79 -0.98 0.88 -0.70 -0.00 0.00 0.00 177.39 177.38 1ss3 s GLU 44 N 2.04 0.38 -0.24 1.47 2.56 -1.26 -5.18 118.70 118.47 1ss3 s GLU 44 Ca 0.96 0.33 -0.28 0.00 0.00 0.00 0.00 54.97 55.98 1ss3 s GLU 44 Cb -1.21 0.18 0.15 0.00 2.00 0.00 0.00 34.13 35.25 1ss3 s GLU 44 CO 0.65 -0.07 1.17 1.21 -0.56 0.00 0.00 175.26 177.66 1ss3 s ASN 45 N -0.20 -0.25 -0.30 -1.70 3.84 -1.26 -5.16 114.94 109.91 1ss3 s ASN 45 Ca 0.04 0.36 -0.18 0.00 0.21 0.00 0.00 52.86 53.28 1ss3 s ASN 45 Cb -0.04 0.32 0.18 0.00 -0.55 0.00 0.00 41.25 41.16 1ss3 s ASN 45 CO -0.07 -0.17 1.22 -0.47 -2.79 0.00 0.00 177.10 174.82 1ss3 s TYR 46 N -0.62 -0.17 0.18 0.43 5.04 -1.26 -5.18 117.35 115.77 1ss3 s TYR 46 Ca 0.03 0.24 0.06 0.00 -2.44 0.00 0.00 57.07 54.97 1ss3 s TYR 46 Cb -0.02 0.08 -0.04 0.00 0.35 0.00 0.00 41.96 42.33 1ss3 s TYR 46 CO -0.05 -0.09 0.08 -1.59 -1.34 0.00 0.00 175.55 172.55 1ss3 s LYS 47 N 2.55 2.67 0.45 4.97 -2.85 -1.26 -5.14 119.74 121.13 1ss3 s LYS 47 Ca -0.04 -1.01 -0.08 0.00 -1.00 0.00 0.00 55.97 53.84 1ss3 s LYS 47 Cb -0.05 -2.49 0.11 0.00 -2.06 0.00 0.00 37.83 33.33 1ss3 s LYS 47 CO -0.12 0.46 0.44 -0.35 0.10 0.00 0.00 175.35 175.88 1ss3 n PRO 48 N -0.35 -1.53 -0.05 1.78 -0.04 -1.26 -5.06 135.00 128.49 1ss3 n PRO 48 Ca -0.09 -0.70 -0.08 0.00 -0.04 0.00 0.00 63.50 62.60 1ss3 n PRO 48 Cb 0.55 -0.60 -0.03 0.00 -0.04 0.00 0.00 33.50 33.38 1ss3 n PRO 48 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ss3 n LYS 49 N -2.63 0.35 0.00 0.54 4.81 -1.26 -5.36 118.16 114.62 1ss3 n LYS 49 Ca 0.06 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ss3 n LYS 49 Cb 0.22 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1ss3 n LYS 49 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66