#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swi h MET 2 N 0.00 -0.05 -0.62 5.56 2.86 -2.05 -2.58 114.93 118.04 1swi h MET 2 Ca 0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 1swi h MET 2 Cb 0.00 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.55 1swi h MET 2 CO 0.00 0.51 -0.31 -0.22 1.06 0.00 0.00 176.91 177.96 1swi h LYS 3 N -0.67 -0.13 -0.68 1.72 3.64 -2.04 0.46 116.57 118.87 1swi h LYS 3 Ca -0.01 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1swi h LYS 3 Cb 0.59 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.32 1swi h LYS 3 CO 0.01 -0.08 -0.36 0.37 -2.27 0.00 0.00 179.45 177.12 1swi h GLN 4 N -0.13 -0.13 0.00 1.90 4.15 -1.98 2.01 115.11 120.93 1swi h GLN 4 Ca 0.25 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1swi h GLN 4 Cb 0.55 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 1swi h GLN 4 CO -0.69 -0.09 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.03 1swi h LEU 5 N -0.14 0.00 -0.21 -2.39 3.38 0.15 0.16 115.31 116.27 1swi h LEU 5 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1swi h LEU 5 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1swi h LEU 5 CO -0.75 0.02 -0.69 -0.62 0.09 0.00 0.00 178.44 176.50 1swi n GLU 6 N -3.54 0.28 0.06 1.13 1.02 0.59 -2.71 120.64 117.45 1swi n GLU 6 Ca -0.03 -0.21 -0.02 0.00 -0.02 0.00 0.00 57.16 56.88 1swi n GLU 6 Cb 0.12 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.03 1swi n GLU 6 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1swi h ASP 7 N 0.51 -0.13 -0.35 1.62 5.19 0.42 -2.77 116.42 120.91 1swi h ASP 7 Ca 0.00 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 1swi h ASP 7 Cb 0.54 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1swi h ASP 7 CO 0.00 -0.04 -0.21 1.17 -3.12 0.00 0.00 179.24 177.04 1swi n LYS 8 N -2.71 -0.15 -0.35 3.56 3.00 -0.63 -0.84 118.16 120.03 1swi n LYS 8 Ca -0.02 0.75 -0.02 0.00 -0.00 0.00 0.00 58.31 59.02 1swi n LYS 8 Cb 0.06 -1.11 0.11 0.00 0.00 0.00 0.00 35.03 34.10 1swi n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1swi h VAL 9 N 0.00 1.20 0.13 3.15 2.07 -1.67 -2.10 116.25 119.03 1swi h VAL 9 Ca 0.06 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1swi h VAL 9 Cb 0.14 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1swi h VAL 9 CO -0.33 0.22 -0.06 -0.08 0.02 0.00 0.00 177.57 177.34 1swi h GLU 10 N 1.23 -0.17 -0.47 1.57 4.57 -0.68 -2.00 114.58 118.62 1swi h GLU 10 Ca 0.36 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.61 1swi h GLU 10 Cb -0.07 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.47 1swi h GLU 10 CO -0.10 0.12 -0.55 1.05 -1.18 0.00 0.00 179.01 178.35 1swi h GLU 11 N -0.47 -0.34 -0.34 1.92 4.11 -1.33 0.56 114.58 118.69 1swi h GLU 11 Ca -0.02 0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.53 1swi h GLU 11 Cb 0.37 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1swi h GLU 11 CO 0.03 -0.23 0.50 -0.07 0.07 0.00 0.00 179.01 179.31 1swi h LEU 12 N -0.36 0.00 0.00 3.06 3.38 -1.37 1.06 115.31 121.08 1swi h LEU 12 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1swi h LEU 12 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1swi h LEU 12 CO -0.63 0.00 -0.38 0.25 0.09 0.00 0.00 178.44 177.77 1swi h LEU 13 N 0.00 0.00 0.04 1.67 5.85 0.90 -2.79 115.31 120.98 1swi h LEU 13 Ca 0.16 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.60 1swi h LEU 13 Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1swi h LEU 13 CO -0.00 0.00 -1.53 0.77 -0.34 0.00 0.00 178.44 177.34 1swi h SER 14 N 0.00 0.13 0.72 1.25 4.64 0.18 -3.02 113.55 117.44 1swi h SER 14 Ca -0.00 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1swi h SER 14 Cb 1.00 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1swi h SER 14 CO 0.00 1.18 -0.35 0.11 -0.87 0.00 0.00 176.83 176.90 1swi h LYS 15 N 0.02 -0.93 -0.61 4.77 1.57 -1.50 -2.93 116.57 116.96 1swi h LYS 15 Ca -0.23 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1swi h LYS 15 Cb 1.96 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 34.38 1swi h LYS 15 CO 0.11 -0.62 -0.19 0.00 -0.57 0.00 0.00 179.45 178.18 1swi n ALA 16 N -2.52 0.04 -0.21 3.86 0.00 -1.05 -0.47 120.51 120.15 1swi n ALA 16 Ca -0.12 0.64 -0.07 0.00 0.00 0.00 0.00 53.44 53.88 1swi n ALA 16 Cb 0.38 -0.34 0.03 0.00 0.00 0.00 0.00 19.45 19.52 1swi n ALA 16 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1swi h TYR 17 N 0.00 0.90 -0.28 0.00 3.20 -1.55 -2.42 116.97 116.82 1swi h TYR 17 Ca 0.25 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1swi h TYR 17 Cb 0.41 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1swi h TYR 17 CO -0.50 0.72 -0.09 1.25 -1.64 0.00 0.00 178.16 177.90 1swi h HIS 18 N 0.82 0.48 0.02 -3.82 2.76 -0.58 -2.30 115.15 112.53 1swi h HIS 18 Ca 0.20 -0.06 -0.22 0.00 -2.20 0.00 0.00 60.37 58.09 1swi h HIS 18 Cb 0.20 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 1swi h HIS 18 CO 0.01 0.54 -0.95 -0.07 -1.30 0.00 0.00 177.93 176.17 1swi h LEU 19 N 0.43 0.39 -0.34 0.26 3.38 -1.30 -2.82 115.31 115.32 1swi h LEU 19 Ca 0.09 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1swi h LEU 19 Cb 0.42 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1swi h LEU 19 CO 0.02 1.14 0.12 -0.33 0.09 0.00 0.00 178.44 179.48 1swi h GLU 20 N 0.16 0.51 0.00 1.13 5.08 -0.90 -2.23 114.58 118.32 1swi h GLU 20 Ca -0.07 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1swi h GLU 20 Cb 1.59 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1swi h GLU 20 CO 0.15 0.53 0.00 0.09 -1.00 0.00 0.00 179.01 178.78 1swi n ASN 21 N -4.68 0.00 -0.02 1.42 4.13 -0.98 -2.60 115.26 112.53 1swi n ASN 21 Ca -0.01 0.99 0.01 0.00 1.68 0.00 0.00 54.58 57.24 1swi n ASN 21 Cb 0.15 -0.49 0.02 0.00 -1.54 0.00 0.00 39.78 37.93 1swi n ASN 21 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1swi n GLU 22 N -2.29 -0.00 0.00 3.52 4.71 -1.06 0.13 120.64 125.64 1swi n GLU 22 Ca 0.00 0.10 0.14 0.00 -0.01 0.00 0.00 57.16 57.39 1swi n GLU 22 Cb 0.00 -0.16 0.69 0.00 -1.01 0.00 0.00 31.44 30.96 1swi n GLU 22 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1swi n VAL 23 N -3.68 0.07 -0.13 2.62 0.31 -0.85 -1.92 118.33 114.74 1swi n VAL 23 Ca 0.02 0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.08 1swi n VAL 23 Cb 0.06 -0.54 -0.10 0.00 -0.91 0.00 0.00 33.84 32.34 1swi n VAL 23 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1swi n ALA 24 N -1.34 1.16 -0.29 3.52 0.00 0.35 -2.54 120.51 121.37 1swi n ALA 24 Ca 0.12 -1.02 0.01 0.00 0.00 0.00 0.00 53.44 52.55 1swi n ALA 24 Cb 0.25 0.02 0.15 0.00 0.00 0.00 0.00 19.45 19.87 1swi n ALA 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1swi h ARG 25 N -0.92 0.82 -0.10 0.00 9.65 -1.62 -0.33 114.38 121.88 1swi h ARG 25 Ca -0.65 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.18 1swi h ARG 25 Cb 1.60 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.99 1swi h ARG 25 CO -0.37 0.54 0.05 -0.07 2.80 0.00 0.00 179.97 182.92 1swi h LEU 26 N 0.84 0.13 -1.97 3.80 3.38 -1.54 -2.10 115.31 117.85 1swi h LEU 26 Ca 0.37 -0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.46 1swi h LEU 26 Cb 0.27 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1swi h LEU 26 CO -0.21 0.21 0.58 0.11 0.09 0.00 0.00 178.44 179.22 1swi h LYS 27 N 0.05 0.02 0.08 1.13 1.57 -0.88 -2.23 116.57 116.31 1swi h LYS 27 Ca 0.04 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 1swi h LYS 27 Cb 0.11 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1swi h LYS 27 CO -0.00 0.02 -1.07 1.57 -0.57 0.00 0.00 179.45 179.39 1swi h LYS 28 N 0.02 0.17 -1.00 3.15 2.10 -0.89 -3.32 116.57 116.81 1swi h LYS 28 Ca 0.38 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1swi h LYS 28 Cb 1.50 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.95 1swi h LYS 28 CO -0.01 1.14 0.00 1.28 -2.00 0.00 0.00 179.45 179.86 1swi n LEU 29 N -4.14 1.02 0.00 7.07 4.77 -0.81 -5.12 117.00 119.79 1swi n LEU 29 Ca -0.22 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1swi n LEU 29 Cb 0.79 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1swi n LEU 29 CO 0.38 0.19 0.00 0.52 -1.33 0.00 0.00 177.39 177.15