#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwq s LYS 2 N 0.00 3.96 0.66 3.17 2.47 -1.26 -4.97 119.74 123.77 2wwq s LYS 2 Ca 0.00 2.14 0.04 0.00 -1.56 0.00 0.00 55.97 56.60 2wwq s LYS 2 Cb 0.00 -4.08 0.11 0.00 -1.46 0.00 0.00 37.83 32.40 2wwq s LYS 2 CO 0.00 -1.12 0.91 1.03 0.16 0.00 0.00 175.35 176.32 2wwq s ARG 3 N 4.55 1.94 0.04 4.03 1.81 -1.26 -5.03 118.95 125.03 2wwq s ARG 3 Ca 0.80 -1.38 -0.22 0.00 -1.72 0.00 0.00 55.73 53.20 2wwq s ARG 3 Cb -0.33 -2.47 -0.15 0.00 -0.45 0.00 0.00 34.95 31.54 2wwq s ARG 3 CO 0.33 -1.20 1.44 1.15 -0.68 0.00 0.00 175.30 176.33 2wwq h THR 4 N -0.22 1.28 -3.23 0.02 2.02 -2.09 -3.42 112.91 107.27 2wwq h THR 4 Ca -0.33 -0.89 -0.74 0.00 0.77 0.00 0.00 66.41 65.21 2wwq h THR 4 Cb 1.28 1.68 -0.24 0.00 -1.74 0.00 0.00 68.15 69.13 2wwq h THR 4 CO 0.40 0.25 -0.30 0.12 0.37 0.00 0.00 175.52 176.36 2wwq s PHE 5 N -4.82 3.27 -0.17 3.16 5.99 -1.26 -4.97 117.98 119.18 2wwq s PHE 5 Ca -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 56.93 55.58 2wwq s PHE 5 Cb 0.05 -3.44 0.04 0.00 0.00 0.00 0.00 43.02 39.66 2wwq s PHE 5 CO 0.70 -0.91 -0.09 -1.14 -0.00 0.00 0.00 175.22 173.78 2wwq s GLN 6 N 1.58 1.82 0.64 10.12 0.74 -1.26 -5.13 119.66 128.18 2wwq s GLN 6 Ca 0.04 -0.60 -0.08 0.00 0.05 0.00 0.00 55.36 54.76 2wwq s GLN 6 Cb -0.27 -2.11 0.01 0.00 1.10 0.00 0.00 33.01 31.74 2wwq s GLN 6 CO 0.04 -0.37 0.99 -1.25 -0.55 0.00 0.00 175.29 174.15 2wwq s PRO 7 N 1.53 2.85 -0.30 1.67 0.04 -1.26 -5.06 135.00 134.47 2wwq s PRO 7 Ca 0.01 0.17 -0.10 0.00 0.04 0.00 0.00 61.00 61.12 2wwq s PRO 7 Cb -0.15 -2.17 0.18 0.00 0.04 0.00 0.00 34.50 32.41 2wwq s PRO 7 CO -0.09 -0.86 0.97 -1.12 0.04 0.00 0.00 177.00 175.94 2wwq s SER 8 N -4.34 -0.63 0.40 6.66 0.01 -1.26 -5.04 113.70 109.50 2wwq s SER 8 Ca 0.56 0.33 0.07 0.00 1.31 0.00 0.00 55.95 58.22 2wwq s SER 8 Cb -0.11 1.51 0.83 0.00 0.21 0.00 0.00 66.02 68.46 2wwq s SER 8 CO 0.48 -0.12 2.04 0.58 0.41 0.00 0.00 173.24 176.63 2wwq h VAL 9 N 5.34 1.10 0.33 3.43 2.07 -1.99 -1.52 116.25 125.01 2wwq h VAL 9 Ca -0.14 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2wwq h VAL 9 Cb 1.17 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2wwq h VAL 9 CO -0.04 0.11 -0.16 -0.07 0.02 0.00 0.00 177.57 177.43 2wwq h LEU 10 N 0.61 -0.38 -0.67 2.57 3.38 -1.99 -2.28 115.31 116.54 2wwq h LEU 10 Ca 0.18 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.30 2wwq h LEU 10 Cb -0.01 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 2wwq h LEU 10 CO -0.04 -0.26 -0.17 0.11 0.09 0.00 0.00 178.44 178.17 2wwq h LYS 11 N -0.47 -0.00 -0.00 1.13 1.57 -1.88 -2.79 116.57 114.12 2wwq h LYS 11 Ca -0.05 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2wwq h LYS 11 Cb 0.34 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 2wwq h LYS 11 CO 0.07 -0.00 -0.51 -0.09 -0.57 0.00 0.00 179.45 178.36 2wwq h ARG 12 N -0.00 -0.63 -0.48 3.15 2.43 -1.23 -1.42 114.38 116.20 2wwq h ARG 12 Ca 0.32 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.67 2wwq h ARG 12 Cb 0.49 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2wwq h ARG 12 CO -0.69 -0.42 0.39 -0.91 -1.51 0.00 0.00 179.97 176.84 2wwq h ASN 13 N -0.65 0.00 -1.33 -3.80 4.21 -1.32 0.82 115.58 113.52 2wwq h ASN 13 Ca 0.02 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.94 2wwq h ASN 13 Cb 0.71 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 37.50 2wwq h ASN 13 CO -0.35 0.00 -0.57 0.54 -1.29 0.00 0.00 177.43 175.76 2wwq n ARG 14 N -4.10 3.41 -0.00 0.81 1.74 -0.68 -3.23 116.66 114.60 2wwq n ARG 14 Ca 0.09 -4.30 0.00 0.00 -0.77 0.00 0.00 57.85 52.86 2wwq n ARG 14 Cb 0.60 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 2wwq n ARG 14 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2wwq n SER 15 N -0.56 0.00 -0.33 0.55 2.88 -0.54 -4.89 113.62 110.73 2wwq n SER 15 Ca 0.42 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2wwq n SER 15 Cb 0.71 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 2wwq n SER 15 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2wwq n HIS 16 N 0.00 0.00 -1.09 0.66 8.25 0.17 -5.00 115.22 118.22 2wwq n HIS 16 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2wwq n HIS 16 Cb 0.14 0.20 0.12 0.00 1.12 0.00 0.00 29.99 31.57 2wwq n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wwq s GLY 17 N -0.05 1.84 0.03 -1.41 0.00 -1.20 -4.85 107.32 101.70 2wwq s GLY 17 Ca 0.00 0.54 -0.17 0.00 0.00 0.00 0.00 44.72 45.10 2wwq s GLY 17 CO 0.00 0.93 1.06 -2.75 0.00 0.00 0.00 173.10 172.35 2wwq h PHE 18 N -1.21 0.90 -0.05 1.90 3.04 -1.86 -2.59 116.94 117.07 2wwq h PHE 18 Ca -0.44 -0.58 0.00 0.00 3.98 0.00 0.00 57.97 60.93 2wwq h PHE 18 Cb 1.26 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2wwq h PHE 18 CO 0.52 1.42 0.00 0.54 -2.02 0.00 0.00 178.31 178.78 2wwq n ARG 19 N -3.89 1.78 -0.15 1.11 1.74 -1.26 -2.37 116.66 113.62 2wwq n ARG 19 Ca -0.14 -1.14 0.06 0.00 -0.77 0.00 0.00 57.85 55.86 2wwq n ARG 19 Cb 0.93 -1.47 0.14 0.00 -1.02 0.00 0.00 32.46 31.05 2wwq n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wwq n ALA 20 N 0.38 2.26 -3.23 7.54 0.00 -1.15 -4.56 120.51 121.74 2wwq n ALA 20 Ca 0.18 -1.03 -0.24 0.00 0.00 0.00 0.00 53.44 52.35 2wwq n ALA 20 Cb 0.39 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 2wwq n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wwq n ARG 21 N 0.62 0.54 -0.07 0.00 1.74 -0.99 -4.80 116.66 113.71 2wwq n ARG 21 Ca 0.11 -3.14 0.00 0.00 -0.77 0.00 0.00 57.85 54.06 2wwq n ARG 21 Cb 0.41 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2wwq n ARG 21 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2wwq n MET 22 N 1.89 0.00 0.00 5.56 1.56 -1.03 -4.64 117.12 120.46 2wwq n MET 22 Ca 0.23 -0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.63 2wwq n MET 22 Cb 0.52 -0.03 0.00 0.00 2.15 0.00 0.00 33.22 35.86 2wwq n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wwq n ALA 23 N 0.00 0.00 -2.65 -5.12 0.00 -1.26 -5.07 120.51 106.42 2wwq n ALA 23 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2wwq n ALA 23 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 2wwq n ALA 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2wwq s THR 24 N 0.00 1.00 0.32 0.00 -1.32 -1.26 -5.05 115.64 109.33 2wwq s THR 24 Ca 0.00 -0.81 0.10 0.00 -1.21 0.00 0.00 61.69 59.76 2wwq s THR 24 Cb 0.00 -0.89 0.31 0.00 -1.51 0.00 0.00 72.50 70.42 2wwq s THR 24 CO 0.00 0.07 1.70 0.50 -2.21 0.00 0.00 174.62 174.68 2wwq h LYS 25 N 5.25 0.44 -0.01 7.08 1.63 -1.99 -2.29 116.57 126.68 2wwq h LYS 25 Ca -0.36 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.37 2wwq h LYS 25 Cb 1.18 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2wwq h LYS 25 CO 0.46 0.29 -0.18 -2.95 -3.45 0.00 0.00 179.45 173.62 2wwq h ASN 26 N 0.45 0.18 0.00 4.20 7.08 -1.99 -1.89 115.58 123.61 2wwq h ASN 26 Ca 0.65 -0.73 -0.08 0.00 -3.08 0.00 0.00 56.30 53.05 2wwq h ASN 26 Cb 1.32 -0.05 -0.03 0.00 -2.08 0.00 0.00 38.32 37.48 2wwq h ASN 26 CO -0.53 0.89 -0.09 0.61 -2.08 0.00 0.00 177.43 176.23 2wwq n GLY 27 N 0.92 2.24 0.00 9.14 0.00 -0.89 -1.81 105.19 114.80 2wwq n GLY 27 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2wwq n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwq n ARG 28 N 2.25 0.00 0.27 1.61 1.74 -1.07 -2.47 116.66 118.98 2wwq n ARG 28 Ca 0.19 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.37 2wwq n ARG 28 Cb 0.54 -0.16 0.71 0.00 -1.02 0.00 0.00 32.46 32.53 2wwq n ARG 28 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2wwq h GLN 29 N 0.00 0.00 0.09 5.56 4.15 -0.54 -2.37 115.11 122.00 2wwq h GLN 29 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wwq h GLN 29 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2wwq h GLN 29 CO 0.00 0.03 -0.04 0.28 -1.93 0.00 0.00 178.83 177.17 2wwq h VAL 30 N 0.00 0.98 -0.77 2.39 2.07 -1.83 -1.23 116.25 117.86 2wwq h VAL 30 Ca -0.00 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2wwq h VAL 30 Cb 0.07 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2wwq h VAL 30 CO 0.00 0.06 0.48 -0.07 0.02 0.00 0.00 177.57 178.07 2wwq h LEU 31 N -0.24 0.78 0.05 2.57 3.38 -1.78 -2.76 115.31 117.32 2wwq h LEU 31 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wwq h LEU 31 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wwq h LEU 31 CO 0.02 0.53 -0.03 0.00 0.09 0.00 0.00 178.44 179.05 2wwq h ALA 32 N 1.34 -0.07 -1.26 1.53 0.00 -1.12 -3.08 119.26 116.61 2wwq h ALA 32 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wwq h ALA 32 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wwq h ALA 32 CO -0.13 -0.54 0.00 0.54 0.00 0.00 0.00 179.25 179.12 2wwq n ARG 33 N -5.12 0.00 -1.00 0.00 1.74 -0.50 -2.14 116.66 109.64 2wwq n ARG 33 Ca -0.07 0.59 -0.31 0.00 -0.77 0.00 0.00 57.85 57.28 2wwq n ARG 33 Cb 0.06 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2wwq n ARG 33 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2wwq n ARG 34 N -1.85 2.21 0.00 5.56 1.85 -1.07 -0.95 116.66 122.40 2wwq n ARG 34 Ca 0.00 -1.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.10 2wwq n ARG 34 Cb 0.00 -2.69 0.00 0.00 -1.05 0.00 0.00 32.46 28.72 2wwq n ARG 34 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2wwq n ARG 35 N 5.01 0.00 0.00 2.89 0.63 -1.19 -4.06 116.66 119.94 2wwq n ARG 35 Ca 0.51 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.58 2wwq n ARG 35 Cb 0.24 0.00 0.59 0.00 0.45 0.00 0.00 32.46 33.74 2wwq n ARG 35 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wwq n ALA 36 N -1.70 2.63 0.32 5.13 0.00 -0.91 -1.89 120.51 124.10 2wwq n ALA 36 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.37 2wwq n ALA 36 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 2wwq n ALA 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wwq n LYS 37 N -1.35 0.45 -0.71 0.00 3.00 -0.13 -4.96 118.16 114.45 2wwq n LYS 37 Ca 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2wwq n LYS 37 Cb 0.31 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.73 2wwq n LYS 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wwq n GLY 38 N 1.31 0.80 3.68 3.14 0.00 -0.79 -5.00 105.19 108.32 2wwq n GLY 38 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2wwq n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wwq s ARG 39 N -0.29 4.36 -0.31 1.61 3.52 -1.26 -4.78 118.95 121.80 2wwq s ARG 39 Ca 0.00 1.37 0.18 0.00 -0.13 0.00 0.00 55.73 57.15 2wwq s ARG 39 Cb 0.00 -3.58 0.47 0.00 -1.56 0.00 0.00 34.95 30.28 2wwq s ARG 39 CO 0.00 -0.43 1.02 0.00 -0.81 0.00 0.00 175.30 175.08 2wwq n ALA 40 N 5.48 3.36 -0.02 6.12 0.00 -1.26 -4.27 120.51 129.91 2wwq n ALA 40 Ca 0.10 -3.13 0.04 0.00 0.00 0.00 0.00 53.44 50.44 2wwq n ALA 40 Cb 0.48 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.94 2wwq n ALA 40 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2wwq n ARG 41 N -0.27 0.81 0.00 0.00 1.85 -1.26 -5.10 116.66 112.69 2wwq n ARG 41 Ca 0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2wwq n ARG 41 Cb 0.81 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 2wwq n ARG 41 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2wwq n LEU 42 N -2.16 0.00 -0.21 2.89 4.77 -1.26 -2.85 117.00 118.17 2wwq n LEU 42 Ca -0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2wwq n LEU 42 Cb 0.55 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.90 2wwq n LEU 42 CO 0.31 0.00 0.51 0.35 -1.33 0.00 0.00 177.39 177.23 2wwq n THR 43 N 0.00 0.00 -3.08 -5.08 -2.24 -1.26 -5.00 114.28 97.62 2wwq n THR 43 Ca 0.00 -0.11 -0.12 0.00 -2.27 0.00 0.00 64.05 61.55 2wwq n THR 43 Cb 0.00 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 68.78 2wwq n THR 43 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wwq n VAL 44 N -0.80 -9.19 -3.78 2.28 0.31 -1.13 -5.00 118.33 101.02 2wwq n VAL 44 Ca 0.10 0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 64.71 2wwq n VAL 44 Cb 0.36 -6.31 -0.10 0.00 -0.91 0.00 0.00 33.84 26.89 2wwq n VAL 44 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2wwq s SER 45 N -2.56 -0.23 0.00 4.52 0.15 -1.26 -5.06 113.70 109.26 2wwq s SER 45 Ca 0.19 0.30 0.14 0.00 0.70 0.00 0.00 55.95 57.29 2wwq s SER 45 Cb -0.04 0.45 0.86 0.00 -1.71 0.00 0.00 66.02 65.58 2wwq s SER 45 CO 0.79 -0.28 1.28 1.17 1.20 0.00 0.00 173.24 177.40