#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s LYS 2 N 0.00 3.11 -0.03 1.61 -0.14 -1.26 -5.12 119.74 117.91 3cpw s LYS 2 Ca 0.00 -0.77 -0.09 0.00 -1.36 0.00 0.00 55.97 53.75 3cpw s LYS 2 Cb 0.00 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.40 3cpw s LYS 2 CO 0.00 -0.20 0.27 -1.59 -0.76 0.00 0.00 175.35 173.07 3cpw s LYS 3 N 1.33 3.63 0.86 1.68 -2.85 -1.26 -5.09 119.74 118.04 3cpw s LYS 3 Ca 0.05 0.05 -0.12 0.00 -1.00 0.00 0.00 55.97 54.95 3cpw s LYS 3 Cb -0.13 -3.14 0.14 0.00 -2.06 0.00 0.00 37.83 32.63 3cpw s LYS 3 CO -0.10 0.69 1.21 -1.54 0.10 0.00 0.00 175.35 175.72 3cpw s SER 4 N -1.34 3.90 0.12 0.03 1.04 -1.26 -4.86 113.70 111.33 3cpw s SER 4 Ca 0.23 0.42 -0.17 0.00 0.48 0.00 0.00 55.95 56.90 3cpw s SER 4 Cb -0.14 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.24 3cpw s SER 4 CO 0.12 -2.24 1.69 0.50 0.98 0.00 0.00 173.24 174.29 3cpw h LYS 5 N -1.22 0.48 0.18 4.02 3.64 -1.99 -1.66 116.57 120.02 3cpw h LYS 5 Ca -0.44 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 3cpw h LYS 5 Cb 1.28 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3cpw h LYS 5 CO 0.51 0.46 -0.09 0.00 -2.27 0.00 0.00 179.45 178.06 3cpw h ALA 6 N 1.00 -0.24 -0.79 5.00 0.00 -2.00 -1.80 119.26 120.44 3cpw h ALA 6 Ca 0.11 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.13 3cpw h ALA 6 Cb 0.14 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 3cpw h ALA 6 CO -0.01 -0.62 0.30 1.15 0.00 0.00 0.00 179.25 180.06 3cpw h THR 7 N -0.27 0.58 -0.41 0.00 2.02 -1.91 0.15 112.91 113.07 3cpw h THR 7 Ca -0.02 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3cpw h THR 7 Cb 0.21 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3cpw h THR 7 CO 0.04 0.07 0.10 0.50 0.37 0.00 0.00 175.52 176.60 3cpw h LYS 8 N 0.40 0.61 -0.56 6.66 3.64 -0.84 -0.94 116.57 125.53 3cpw h LYS 8 Ca 0.45 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.63 3cpw h LYS 8 Cb 0.76 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3cpw h LYS 8 CO -0.46 0.56 -0.06 0.87 -2.27 0.00 0.00 179.45 178.09 3cpw h LYS 9 N 0.59 1.02 -0.24 1.90 1.57 0.12 -0.30 116.57 121.23 3cpw h LYS 9 Ca 0.14 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 3cpw h LYS 9 Cb 0.23 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3cpw h LYS 9 CO -0.00 1.03 -0.37 0.00 -0.57 0.00 0.00 179.45 179.53 3cpw h ARG 10 N 0.92 0.67 -0.58 3.15 3.08 -0.86 -0.94 114.38 119.81 3cpw h ARG 10 Ca 0.15 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3cpw h ARG 10 Cb 0.61 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 3cpw h ARG 10 CO 0.04 1.02 0.23 -0.07 -1.07 0.00 0.00 179.97 180.12 3cpw h LEU 11 N 0.38 0.76 -0.02 3.04 3.38 -1.12 -0.25 115.31 121.48 3cpw h LEU 11 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3cpw h LEU 11 Cb 0.96 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3cpw h LEU 11 CO 0.09 0.68 0.01 0.00 0.09 0.00 0.00 178.44 179.31 3cpw h ALA 12 N 1.43 0.03 -0.05 1.53 0.00 -0.81 -1.84 119.26 119.54 3cpw h ALA 12 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3cpw h ALA 12 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3cpw h ALA 12 CO -0.02 -0.46 -0.02 -0.22 0.00 0.00 0.00 179.25 178.54 3cpw h LYS 13 N 0.00 -0.00 -0.98 0.00 3.64 -0.63 -1.98 116.57 116.62 3cpw h LYS 13 Ca 0.01 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.58 3cpw h LYS 13 Cb 0.03 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 3cpw h LYS 13 CO -0.00 -0.00 0.61 -0.07 -2.27 0.00 0.00 179.45 177.72 3cpw h LEU 14 N -0.01 0.68 -0.65 5.20 3.38 -0.87 0.11 115.31 123.14 3cpw h LEU 14 Ca 0.03 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3cpw h LEU 14 Cb 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3cpw h LEU 14 CO -0.06 0.25 -0.17 -0.78 0.09 0.00 0.00 178.44 177.77 3cpw h ASP 15 N 0.67 0.88 -0.40 -0.43 3.58 -0.63 -2.64 116.42 117.45 3cpw h ASP 15 Ca 0.54 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.57 3cpw h ASP 15 Cb 0.97 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 3cpw h ASP 15 CO -0.31 1.04 -0.21 -1.13 -2.88 0.00 0.00 179.24 175.75 3cpw h ASN 16 N 0.77 0.87 0.24 2.28 -0.00 -0.24 -2.61 115.58 116.90 3cpw h ASN 16 Ca 0.11 -0.41 -0.02 0.00 -0.00 0.00 0.00 56.30 55.98 3cpw h ASN 16 Cb 0.70 -0.24 -0.00 0.00 -0.00 0.00 0.00 38.32 38.78 3cpw h ASN 16 CO 0.05 1.09 -0.07 1.56 -0.00 0.00 0.00 177.43 180.06 3cpw h GLN 17 N 0.65 0.00 -0.40 6.67 4.20 -1.04 -2.90 115.11 122.30 3cpw h GLN 17 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3cpw h GLN 17 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3cpw h GLN 17 CO 0.06 0.07 0.00 -1.71 -0.67 0.00 0.00 178.83 176.59 3cpw n ASN 18 N -3.68 0.40 -4.86 1.46 4.05 -0.98 -4.79 115.26 106.86 3cpw n ASN 18 Ca -0.02 -1.21 -0.22 0.00 0.45 0.00 0.00 54.58 53.59 3cpw n ASN 18 Cb 0.18 -0.20 0.07 0.00 1.23 0.00 0.00 39.78 41.06 3cpw n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3cpw s SER 19 N -0.73 4.88 0.41 1.20 1.04 -1.10 -4.84 113.70 114.56 3cpw s SER 19 Ca 0.00 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.13 3cpw s SER 19 Cb 0.00 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 3cpw s SER 19 CO 0.00 -1.45 0.62 -0.60 0.98 0.00 0.00 173.24 172.79 3cpw s ARG 20 N -4.88 3.19 -0.10 4.02 3.52 -1.26 -4.95 118.95 118.49 3cpw s ARG 20 Ca 0.62 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 3cpw s ARG 20 Cb -0.08 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 3cpw s ARG 20 CO 0.41 -0.12 1.54 0.08 -0.81 0.00 0.00 175.30 176.40 3cpw s VAL 21 N -2.45 3.79 0.38 7.11 1.01 -1.26 -4.93 120.40 124.04 3cpw s VAL 21 Ca 0.46 0.95 -0.25 0.00 0.00 0.00 0.00 61.98 63.14 3cpw s VAL 21 Cb -0.10 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 3cpw s VAL 21 CO 0.37 -0.11 0.80 -0.81 0.00 0.00 0.00 175.10 175.35 3cpw n PRO 22 N 7.04 0.95 -0.29 2.72 -0.04 -1.26 -4.86 135.00 139.27 3cpw n PRO 22 Ca 0.16 0.34 0.02 0.00 -0.04 0.00 0.00 63.50 63.99 3cpw n PRO 22 Cb 0.44 -1.72 0.16 0.00 -0.04 0.00 0.00 33.50 32.34 3cpw n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cpw h ALA 23 N 1.31 1.15 -0.08 0.55 0.00 -2.02 -1.88 119.26 118.29 3cpw h ALA 23 Ca -0.41 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3cpw h ALA 23 Cb 1.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3cpw h ALA 23 CO 0.56 0.11 0.06 0.11 0.00 0.00 0.00 179.25 180.09 3cpw h TRP 24 N 0.80 0.00 0.00 0.00 5.08 -2.00 0.76 115.95 120.58 3cpw h TRP 24 Ca 0.38 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.35 3cpw h TRP 24 Cb 0.33 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.48 3cpw h TRP 24 CO -0.06 0.00 -0.03 0.28 -1.28 0.00 0.00 178.44 177.35 3cpw h VAL 25 N 0.00 0.09 -0.07 0.12 2.07 -1.68 0.81 116.25 117.60 3cpw h VAL 25 Ca 0.04 -0.63 -0.25 0.00 0.82 0.00 0.00 66.70 66.68 3cpw h VAL 25 Cb 0.17 1.58 0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3cpw h VAL 25 CO -0.00 0.03 -0.92 0.24 0.02 0.00 0.00 177.57 176.94 3cpw h MET 26 N 0.00 0.72 0.03 1.57 2.86 -0.87 -2.31 114.93 116.93 3cpw h MET 26 Ca -0.00 -0.69 -0.00 0.00 -2.06 0.00 0.00 59.70 56.95 3cpw h MET 26 Cb 0.57 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3cpw h MET 26 CO 0.00 1.28 -0.02 -0.07 1.06 0.00 0.00 176.91 179.17 3cpw h LEU 27 N 0.45 -0.04 -2.02 1.22 3.38 -1.33 0.36 115.31 117.32 3cpw h LEU 27 Ca -0.09 -0.62 0.12 0.00 0.09 0.00 0.00 57.88 57.37 3cpw h LEU 27 Cb 1.56 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 3cpw h LEU 27 CO 0.18 0.64 0.32 0.50 0.09 0.00 0.00 178.44 180.17 3cpw h LYS 28 N -0.76 0.00 -0.57 1.13 3.64 -0.94 0.46 116.57 119.54 3cpw h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cpw h LYS 28 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3cpw h LYS 28 CO 0.01 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.44 3cpw n THR 29 N -4.33 1.14 -3.74 1.00 -2.24 -0.87 -4.95 114.28 100.30 3cpw n THR 29 Ca 0.07 -1.05 -0.28 0.00 -2.27 0.00 0.00 64.05 60.52 3cpw n THR 29 Cb 0.51 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3cpw n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cpw n ASP 30 N 1.10 -2.73 -1.10 3.42 8.00 0.15 -5.02 116.55 120.37 3cpw n ASP 30 Ca 0.20 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.08 3cpw n ASP 30 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.39 3cpw n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cpw n ARG 31 N -3.77 -3.13 0.00 -1.24 1.74 0.04 -5.03 116.66 105.27 3cpw n ARG 31 Ca 0.04 2.30 0.00 0.00 -0.77 0.00 0.00 57.85 59.43 3cpw n ARG 31 Cb 0.50 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 3cpw n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cpw n ARG 35 N -0.51 0.00 -3.39 5.56 1.74 -1.26 -5.05 116.66 113.74 3cpw n ARG 35 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 3cpw n ARG 35 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3cpw n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3cpw s ASN 36 N 0.00 6.03 0.00 0.55 3.84 -1.26 -4.93 114.94 119.17 3cpw s ASN 36 Ca 0.00 -1.84 0.15 0.00 0.21 0.00 0.00 52.86 51.37 3cpw s ASN 36 Cb 0.00 -2.14 0.69 0.00 -0.55 0.00 0.00 41.25 39.25 3cpw s ASN 36 CO 0.00 -0.80 1.43 1.41 -2.79 0.00 0.00 177.10 176.35 3cpw n HIS 37 N 5.12 0.00 -1.15 0.43 8.25 -1.26 -2.51 115.22 124.10 3cpw n HIS 37 Ca -0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.33 3cpw n HIS 37 Cb 0.40 -0.37 0.26 0.00 1.12 0.00 0.00 29.99 31.40 3cpw n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3cpw n LYS 38 N -1.37 2.89 -2.11 -0.41 5.02 -1.26 -4.99 118.16 115.93 3cpw n LYS 38 Ca 0.06 -3.03 -0.42 0.00 -2.02 0.00 0.00 58.31 52.90 3cpw n LYS 38 Cb 0.14 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 3cpw n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3cpw s ARG 39 N -3.02 4.29 0.03 1.97 0.52 -1.05 -4.79 118.95 116.90 3cpw s ARG 39 Ca 0.48 2.13 0.07 0.00 -0.52 0.00 0.00 55.73 57.90 3cpw s ARG 39 Cb 0.40 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 3cpw s ARG 39 CO 0.08 -0.51 -0.22 0.50 0.02 0.00 0.00 175.30 175.18 3cpw s ARG 40 N 1.38 1.53 -0.06 3.54 3.52 -1.26 -5.09 118.95 122.50 3cpw s ARG 40 Ca 0.66 -0.91 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 3cpw s ARG 40 Cb -0.38 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.38 3cpw s ARG 40 CO 0.30 0.42 -0.11 -1.58 -0.81 0.00 0.00 175.30 173.52 3cpw s HIS 41 N -0.72 2.81 0.32 5.12 5.65 -1.26 -5.02 115.29 122.20 3cpw s HIS 41 Ca 0.08 -0.12 0.03 0.00 0.25 0.00 0.00 55.06 55.30 3cpw s HIS 41 Cb -0.09 -1.68 0.61 0.00 -1.18 0.00 0.00 32.58 30.24 3cpw s HIS 41 CO 0.01 0.21 1.92 0.11 -0.65 0.00 0.00 174.74 176.35 3cpw h TRP 42 N 5.43 0.95 0.00 3.88 5.08 -2.00 -1.13 115.95 128.15 3cpw h TRP 42 Ca -0.46 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 59.50 3cpw h TRP 42 Cb 1.17 -0.31 -0.01 0.00 -3.00 0.00 0.00 29.16 27.01 3cpw h TRP 42 CO 0.53 0.49 -0.29 -0.09 -1.28 0.00 0.00 178.44 177.80 3cpw h ARG 43 N 0.93 0.00 -0.13 0.12 2.43 -2.05 -3.38 114.38 112.30 3cpw h ARG 43 Ca 0.37 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3cpw h ARG 43 Cb 0.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3cpw h ARG 43 CO -0.14 0.62 -0.26 0.00 -1.51 0.00 0.00 179.97 178.69 3cpw h ARG 44 N -1.00 0.23 -6.25 0.20 2.47 -1.98 -3.45 114.38 104.60 3cpw h ARG 44 Ca -0.07 -0.08 -0.53 0.00 -1.26 0.00 0.00 59.98 58.04 3cpw h ARG 44 Cb 0.73 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 3cpw h ARG 44 CO -0.04 0.48 -0.22 -0.80 0.56 0.00 0.00 179.97 179.95 3cpw s ASN 45 N -6.88 4.87 -0.08 7.04 0.01 -0.43 -4.98 114.94 114.50 3cpw s ASN 45 Ca -0.05 -1.03 -0.03 0.00 -0.71 0.00 0.00 52.86 51.04 3cpw s ASN 45 Cb 0.14 0.28 0.04 0.00 0.41 0.00 0.00 41.25 42.13 3cpw s ASN 45 CO 0.75 -1.17 0.13 -0.62 -1.51 0.00 0.00 177.10 174.69 3cpw s ASP 46 N -4.43 0.89 1.03 -1.22 -1.08 -1.26 -4.79 116.67 105.80 3cpw s ASP 46 Ca 0.47 0.25 -0.17 0.00 -0.52 0.00 0.00 52.55 52.57 3cpw s ASP 46 Cb -0.04 0.16 0.24 0.00 -1.46 0.00 0.00 42.92 41.82 3cpw s ASP 46 CO 0.29 -0.25 1.32 0.42 0.52 0.00 0.00 175.17 177.47 3cpw s THR 47 N 2.26 1.93 0.59 1.71 -4.23 -1.26 -5.07 115.64 111.56 3cpw s THR 47 Ca 0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 3cpw s THR 47 Cb -0.12 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.83 3cpw s THR 47 CO -0.05 0.00 0.85 -1.81 -0.54 0.00 0.00 174.62 173.06 3cpw s ASP 48 N -4.81 5.23 0.00 3.99 -0.00 -1.26 -5.27 116.67 114.55 3cpw s ASP 48 Ca 0.76 0.23 0.00 0.00 -0.00 0.00 0.00 52.55 53.54 3cpw s ASP 48 Cb -0.03 -1.10 0.00 0.00 -0.00 0.00 0.00 42.92 41.79 3cpw s ASP 48 CO 0.54 -1.22 0.00 -0.62 -0.00 0.00 0.00 175.17 173.87