#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s LYS 2 N 0.00 3.48 -0.09 1.61 -0.14 -1.26 -5.09 119.74 118.25 2otj s LYS 2 Ca 0.00 -0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 53.86 2otj s LYS 2 Cb 0.00 -3.48 -0.05 0.00 -1.68 0.00 0.00 37.83 32.62 2otj s LYS 2 CO 0.00 -0.32 0.34 -1.59 -0.76 0.00 0.00 175.35 173.02 2otj s LYS 3 N 1.62 4.05 0.97 1.68 -2.85 -1.26 -5.08 119.74 118.87 2otj s LYS 3 Ca 0.05 0.23 -0.15 0.00 -1.00 0.00 0.00 55.97 55.11 2otj s LYS 3 Cb -0.16 -3.33 0.18 0.00 -2.06 0.00 0.00 37.83 32.46 2otj s LYS 3 CO 0.06 0.45 1.21 -1.54 0.10 0.00 0.00 175.35 175.63 2otj s SER 4 N -0.23 3.03 0.19 0.03 1.04 -1.26 -4.84 113.70 111.66 2otj s SER 4 Ca 0.20 0.60 -0.10 0.00 0.48 0.00 0.00 55.95 57.14 2otj s SER 4 Cb -0.14 -0.89 0.12 0.00 0.10 0.00 0.00 66.02 65.20 2otj s SER 4 CO 0.08 -2.82 1.75 0.50 0.98 0.00 0.00 173.24 173.73 2otj h LYS 5 N -1.69 1.06 -0.27 4.02 3.64 -1.99 -1.54 116.57 119.81 2otj h LYS 5 Ca -0.46 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 58.58 2otj h LYS 5 Cb 1.29 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2otj h LYS 5 CO 0.48 0.89 -0.36 0.00 -2.27 0.00 0.00 179.45 178.19 2otj h ALA 6 N 1.12 0.40 -0.63 5.00 0.00 -2.00 -1.90 119.26 121.26 2otj h ALA 6 Ca 0.23 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2otj h ALA 6 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2otj h ALA 6 CO -0.02 0.48 0.42 1.15 0.00 0.00 0.00 179.25 181.28 2otj h THR 7 N 0.45 1.11 -0.37 0.00 2.02 -1.90 -1.60 112.91 112.62 2otj h THR 7 Ca 0.03 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.79 2otj h THR 7 Cb 0.95 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2otj h THR 7 CO 0.08 0.14 -0.37 0.50 0.37 0.00 0.00 175.52 176.25 2otj h LYS 8 N 0.79 0.86 -0.39 6.66 3.64 -1.09 -0.27 116.57 126.77 2otj h LYS 8 Ca 0.25 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2otj h LYS 8 Cb 0.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2otj h LYS 8 CO -0.06 1.08 0.16 0.87 -2.27 0.00 0.00 179.45 179.23 2otj h LYS 9 N 0.71 0.58 -0.31 1.90 1.57 -0.57 0.02 116.57 120.47 2otj h LYS 9 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2otj h LYS 9 Cb 0.94 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 2otj h LYS 9 CO 0.09 0.54 0.20 0.00 -0.57 0.00 0.00 179.45 179.71 2otj h ARG 10 N 0.49 0.40 -0.50 3.15 3.08 -1.14 -0.84 114.38 119.02 2otj h ARG 10 Ca 0.13 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2otj h ARG 10 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2otj h ARG 10 CO -0.01 0.27 0.13 -0.07 -1.07 0.00 0.00 179.97 179.21 2otj h LEU 11 N 0.41 0.69 -0.18 3.04 3.38 -0.83 -1.82 115.31 120.01 2otj h LEU 11 Ca 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2otj h LEU 11 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2otj h LEU 11 CO -0.02 0.68 0.11 0.00 0.09 0.00 0.00 178.44 179.29 2otj h ALA 12 N 1.42 0.22 -0.15 1.53 0.00 -0.34 -2.42 119.26 119.52 2otj h ALA 12 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2otj h ALA 12 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2otj h ALA 12 CO -0.00 -0.28 0.06 -0.22 0.00 0.00 0.00 179.25 178.81 2otj h LYS 13 N 0.22 0.14 -0.83 0.00 3.64 -0.83 -1.74 116.57 117.16 2otj h LYS 13 Ca 0.06 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2otj h LYS 13 Cb 0.01 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 2otj h LYS 13 CO -0.01 0.09 0.54 -0.07 -2.27 0.00 0.00 179.45 177.73 2otj h LEU 14 N 0.14 0.65 -0.24 5.20 3.38 -1.19 0.13 115.31 123.38 2otj h LEU 14 Ca 0.06 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2otj h LEU 14 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2otj h LEU 14 CO -0.05 0.37 -0.15 -0.78 0.09 0.00 0.00 178.44 177.91 2otj h ASP 15 N 0.71 0.54 -0.43 -0.43 3.58 -0.96 -2.98 116.42 116.46 2otj h ASP 15 Ca 0.40 -0.43 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2otj h ASP 15 Cb 0.56 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2otj h ASP 15 CO -0.16 0.86 0.14 -1.13 -2.88 0.00 0.00 179.24 176.06 2otj h ASN 16 N 0.24 0.68 0.65 2.28 -0.00 -0.28 -0.84 115.58 118.30 2otj h ASN 16 Ca 0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.24 2otj h ASN 16 Cb 0.66 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 2otj h ASN 16 CO 0.04 0.66 0.00 1.56 -0.00 0.00 0.00 177.43 179.69 2otj h GLN 17 N 0.72 0.00 0.00 6.67 4.20 -0.71 -2.84 115.11 123.15 2otj h GLN 17 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2otj h GLN 17 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2otj h GLN 17 CO -0.01 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.24 2otj n ASN 18 N -2.56 0.00 -4.84 1.46 4.13 -0.32 -4.84 115.26 108.29 2otj n ASN 18 Ca 0.01 -1.07 -0.33 0.00 1.68 0.00 0.00 54.58 54.87 2otj n ASN 18 Cb 0.21 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.39 2otj n ASN 18 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2otj s SER 19 N -1.83 6.84 1.07 6.41 1.04 -1.07 -4.91 113.70 121.24 2otj s SER 19 Ca 0.35 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 57.99 2otj s SER 19 Cb 0.16 -2.40 0.22 0.00 0.10 0.00 0.00 66.02 64.10 2otj s SER 19 CO 0.27 -0.19 1.10 -0.60 0.98 0.00 0.00 173.24 174.80 2otj s ARG 20 N -2.85 -0.11 -0.08 4.02 3.52 -1.26 -4.97 118.95 117.22 2otj s ARG 20 Ca 0.53 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 56.18 2otj s ARG 20 Cb -0.11 -1.69 -0.03 0.00 -1.56 0.00 0.00 34.95 31.56 2otj s ARG 20 CO 0.17 -3.06 1.28 0.08 -0.81 0.00 0.00 175.30 172.97 2otj s VAL 21 N -2.97 4.12 0.68 7.11 1.01 -1.26 -4.98 120.40 124.10 2otj s VAL 21 Ca 0.67 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.91 2otj s VAL 21 Cb -0.16 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 2otj s VAL 21 CO 0.57 -0.04 0.50 -0.81 0.00 0.00 0.00 175.10 175.32 2otj n PRO 22 N 5.74 0.36 -0.06 2.72 -0.04 -1.26 -4.89 135.00 137.57 2otj n PRO 22 Ca 0.13 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.67 2otj n PRO 22 Cb 0.45 -1.77 -0.01 0.00 -0.04 0.00 0.00 33.50 32.13 2otj n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2otj h ALA 23 N -0.18 0.08 -0.10 0.55 0.00 -2.03 -2.83 119.26 114.76 2otj h ALA 23 Ca -0.45 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2otj h ALA 23 Cb 1.37 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 2otj h ALA 23 CO 0.44 -0.53 0.18 0.11 0.00 0.00 0.00 179.25 179.45 2otj h TRP 24 N -0.09 0.00 -0.03 0.00 5.08 -2.01 -1.80 115.95 117.10 2otj h TRP 24 Ca 0.14 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.98 2otj h TRP 24 Cb 0.30 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.44 2otj h TRP 24 CO -0.31 0.00 -0.55 0.28 -1.28 0.00 0.00 178.44 176.58 2otj h VAL 25 N 0.00 1.38 -0.51 0.12 2.07 -1.85 -1.50 116.25 115.96 2otj h VAL 25 Ca 0.05 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.62 2otj h VAL 25 Cb 0.41 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2otj h VAL 25 CO -0.00 0.54 0.02 0.24 0.02 0.00 0.00 177.57 178.40 2otj h MET 26 N 0.08 0.85 -0.06 1.57 2.86 -1.45 -0.35 114.93 118.42 2otj h MET 26 Ca -0.00 -0.23 -0.15 0.00 -2.06 0.00 0.00 59.70 57.27 2otj h MET 26 Cb 1.00 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.57 2otj h MET 26 CO 0.08 0.83 -0.53 -0.07 1.06 0.00 0.00 176.91 178.28 2otj h LEU 27 N 0.79 0.57 -0.36 1.22 3.38 -1.58 0.26 115.31 119.59 2otj h LEU 27 Ca 0.16 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 2otj h LEU 27 Cb 0.44 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2otj h LEU 27 CO 0.02 1.17 0.18 0.50 0.09 0.00 0.00 178.44 180.40 2otj h LYS 28 N 0.01 0.51 -0.01 1.13 3.64 -1.12 -2.38 116.57 118.36 2otj h LYS 28 Ca -0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2otj h LYS 28 Cb 1.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2otj h LYS 28 CO 0.11 0.45 -0.07 0.25 -2.27 0.00 0.00 179.45 177.92 2otj n THR 29 N -4.74 0.00 -3.68 1.00 -2.24 -0.16 -4.93 114.28 99.54 2otj n THR 29 Ca -0.01 -0.09 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 2otj n THR 29 Cb 0.10 -0.05 0.03 0.00 -2.10 0.00 0.00 70.33 68.32 2otj n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2otj n ASP 30 N -0.74 -3.05 -1.85 3.42 8.00 -0.41 -5.05 116.55 116.88 2otj n ASP 30 Ca 0.17 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2otj n ASP 30 Cb 0.26 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 2otj n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2otj n ARG 31 N -4.14 -4.66 0.00 -1.24 3.00 0.77 -5.02 116.66 105.36 2otj n ARG 31 Ca -0.21 3.38 0.00 0.00 -0.01 0.00 0.00 57.85 61.01 2otj n ARG 31 Cb 0.64 -3.80 0.00 0.00 0.00 0.00 0.00 32.46 29.30 2otj n ARG 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2otj n ARG 35 N 0.34 0.00 -3.06 5.56 1.74 -1.26 -5.01 116.66 114.97 2otj n ARG 35 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 2otj n ARG 35 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2otj n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2otj s ASN 36 N 0.00 6.59 0.00 0.55 3.84 -1.26 -4.88 114.94 119.79 2otj s ASN 36 Ca 0.00 -2.11 0.08 0.00 0.21 0.00 0.00 52.86 51.04 2otj s ASN 36 Cb 0.00 -2.33 0.45 0.00 -0.55 0.00 0.00 41.25 38.81 2otj s ASN 36 CO 0.00 -0.95 1.01 1.41 -2.79 0.00 0.00 177.10 175.79 2otj n HIS 37 N 5.84 0.00 -0.75 0.43 8.25 -1.26 -2.38 115.22 125.35 2otj n HIS 37 Ca 0.16 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.70 2otj n HIS 37 Cb 0.48 -0.12 0.23 0.00 1.12 0.00 0.00 29.99 31.69 2otj n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2otj n LYS 38 N -1.12 2.91 -1.71 -0.41 5.02 -1.26 -5.02 118.16 116.57 2otj n LYS 38 Ca 0.05 -2.61 -0.42 0.00 -2.02 0.00 0.00 58.31 53.31 2otj n LYS 38 Cb 0.04 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.35 2otj n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2otj s ARG 39 N -2.29 4.14 -0.08 1.97 0.52 -1.00 -4.84 118.95 117.37 2otj s ARG 39 Ca 0.36 2.59 0.02 0.00 -0.52 0.00 0.00 55.73 58.19 2otj s ARG 39 Cb 0.28 -3.73 0.01 0.00 0.52 0.00 0.00 34.95 32.03 2otj s ARG 39 CO 0.11 -0.87 -0.15 0.50 0.02 0.00 0.00 175.30 174.91 2otj s ARG 40 N 3.15 2.02 0.01 3.54 3.52 -1.26 -5.06 118.95 124.86 2otj s ARG 40 Ca 0.82 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 55.82 2otj s ARG 40 Cb -0.45 -1.64 -0.05 0.00 -1.56 0.00 0.00 34.95 31.25 2otj s ARG 40 CO 0.37 0.04 0.31 -1.58 -0.81 0.00 0.00 175.30 173.62 2otj s HIS 41 N 0.68 3.61 0.42 5.12 5.65 -1.26 -4.98 115.29 124.53 2otj s HIS 41 Ca -0.14 0.69 0.09 0.00 0.25 0.00 0.00 55.06 55.95 2otj s HIS 41 Cb -0.16 -2.07 0.90 0.00 -1.18 0.00 0.00 32.58 30.06 2otj s HIS 41 CO 0.04 0.61 2.03 0.11 -0.65 0.00 0.00 174.74 176.88 2otj h TRP 42 N 4.18 0.38 0.00 3.88 5.08 -2.01 -1.53 115.95 125.93 2otj h TRP 42 Ca -0.51 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.46 2otj h TRP 42 Cb 1.20 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 2otj h TRP 42 CO 0.69 0.29 -0.43 -2.13 -1.28 0.00 0.00 178.44 175.59 2otj n ARG 43 N -4.43 0.36 -0.02 0.12 0.63 -1.26 -4.55 116.66 107.51 2otj n ARG 43 Ca 0.01 0.45 0.06 0.00 -0.92 0.00 0.00 57.85 57.46 2otj n ARG 43 Cb 0.12 -1.48 0.45 0.00 0.45 0.00 0.00 32.46 31.99 2otj n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2otj h ARG 44 N -0.79 0.49 -6.20 -0.14 2.47 -1.99 -3.44 114.38 104.78 2otj h ARG 44 Ca 0.00 -0.03 -0.50 0.00 -1.26 0.00 0.00 59.98 58.19 2otj h ARG 44 Cb 0.43 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 2otj h ARG 44 CO 0.00 0.33 -0.34 -0.80 0.56 0.00 0.00 179.97 179.71 2otj s ASN 45 N -6.57 5.06 -0.07 7.04 0.01 -0.58 -4.96 114.94 114.87 2otj s ASN 45 Ca -0.08 -0.78 -0.00 0.00 -0.71 0.00 0.00 52.86 51.29 2otj s ASN 45 Cb 0.18 -0.42 0.02 0.00 0.41 0.00 0.00 41.25 41.45 2otj s ASN 45 CO 0.73 -0.75 -0.05 -0.62 -1.51 0.00 0.00 177.10 174.90 2otj s ASP 46 N -4.20 1.58 0.80 -1.22 -1.08 -1.26 -4.72 116.67 106.57 2otj s ASP 46 Ca 0.48 -0.18 -0.08 0.00 -0.52 0.00 0.00 52.55 52.25 2otj s ASP 46 Cb -0.04 -0.59 0.13 0.00 -1.46 0.00 0.00 42.92 40.97 2otj s ASP 46 CO 0.28 -0.11 1.12 0.42 0.52 0.00 0.00 175.17 177.40 2otj s THR 47 N 1.46 2.13 0.95 1.71 -4.23 -1.26 -5.09 115.64 111.31 2otj s THR 47 Ca -0.02 -0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.07 2otj s THR 47 Cb -0.13 -2.84 0.17 0.00 1.34 0.00 0.00 72.50 71.03 2otj s THR 47 CO -0.04 0.00 1.20 -1.81 -0.54 0.00 0.00 174.62 173.44 2otj s ASP 48 N -4.73 3.22 0.00 3.99 -0.00 -1.26 -5.28 116.67 112.61 2otj s ASP 48 Ca 0.67 0.65 0.00 0.00 -0.00 0.00 0.00 52.55 53.88 2otj s ASP 48 Cb -0.06 -0.99 0.00 0.00 -0.00 0.00 0.00 42.92 41.86 2otj s ASP 48 CO 0.48 -2.70 0.00 -0.62 -0.00 0.00 0.00 175.17 172.32