#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b s LYS 2 N 0.00 4.10 0.50 1.61 -0.14 -1.26 -5.04 119.74 119.51 1w2b s LYS 2 Ca 0.00 0.88 0.03 0.00 -1.36 0.00 0.00 55.97 55.51 1w2b s LYS 2 Cb 0.00 -3.68 0.02 0.00 -1.68 0.00 0.00 37.83 32.49 1w2b s LYS 2 CO 0.00 -0.63 0.71 -1.59 -0.76 0.00 0.00 175.35 173.08 1w2b s LYS 3 N 3.02 2.70 0.30 1.68 -2.85 -1.26 -5.12 119.74 118.20 1w2b s LYS 3 Ca 0.36 -0.83 0.10 0.00 -1.00 0.00 0.00 55.97 54.60 1w2b s LYS 3 Cb -0.14 -2.56 -0.05 0.00 -2.06 0.00 0.00 37.83 33.02 1w2b s LYS 3 CO 0.10 -0.54 -0.04 -1.54 0.10 0.00 0.00 175.35 173.43 1w2b s SER 4 N -4.37 4.18 0.16 0.03 1.04 -1.26 -4.95 113.70 108.53 1w2b s SER 4 Ca 0.55 -0.86 -0.25 0.00 0.48 0.00 0.00 55.95 55.87 1w2b s SER 4 Cb -0.10 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.45 1w2b s SER 4 CO 0.37 -0.08 1.59 0.50 0.98 0.00 0.00 173.24 176.60 1w2b h LYS 5 N 1.95 -0.29 -0.55 4.02 3.64 -2.00 0.55 116.57 123.89 1w2b h LYS 5 Ca -0.43 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1w2b h LYS 5 Cb 1.25 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1w2b h LYS 5 CO 0.63 -0.19 0.10 0.00 -2.27 0.00 0.00 179.45 177.71 1w2b h ALA 6 N 0.58 0.63 0.78 5.00 0.00 -1.99 -0.08 119.26 124.17 1w2b h ALA 6 Ca 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1w2b h ALA 6 Cb 0.56 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1w2b h ALA 6 CO -0.54 -0.32 -0.40 1.15 0.00 0.00 0.00 179.25 179.13 1w2b h THR 7 N 0.23 0.18 -0.75 0.00 2.02 -1.49 -2.57 112.91 110.53 1w2b h THR 7 Ca 0.29 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.62 1w2b h THR 7 Cb 0.41 0.18 -0.14 0.00 -1.74 0.00 0.00 68.15 66.86 1w2b h THR 7 CO -0.38 0.00 -0.18 0.50 0.37 0.00 0.00 175.52 175.82 1w2b h LYS 8 N -1.09 0.00 -0.98 6.66 3.64 0.64 0.76 116.57 126.21 1w2b h LYS 8 Ca -0.11 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.48 1w2b h LYS 8 Cb 0.85 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.58 1w2b h LYS 8 CO 0.16 0.00 0.62 0.87 -2.27 0.00 0.00 179.45 178.82 1w2b h LYS 9 N 0.00 0.59 0.13 1.90 1.57 -0.75 0.22 116.57 120.23 1w2b h LYS 9 Ca 0.36 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1w2b h LYS 9 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1w2b h LYS 9 CO -0.77 0.39 -0.06 0.00 -0.57 0.00 0.00 179.45 178.44 1w2b h ARG 10 N 0.61 -0.17 -1.05 3.15 3.08 0.86 -2.41 114.38 118.45 1w2b h ARG 10 Ca 0.54 0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.95 1w2b h ARG 10 Cb 1.05 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.99 1w2b h ARG 10 CO -0.30 0.27 0.61 -0.07 -1.07 0.00 0.00 179.97 179.42 1w2b h LEU 11 N -0.89 0.46 0.48 3.04 3.38 -0.49 0.38 115.31 121.67 1w2b h LEU 11 Ca -0.02 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1w2b h LEU 11 Cb 0.53 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1w2b h LEU 11 CO 0.03 -0.16 -0.28 0.00 0.09 0.00 0.00 178.44 178.12 1w2b h ALA 12 N 1.82 -0.73 0.34 1.53 0.00 -0.92 0.12 119.26 121.42 1w2b h ALA 12 Ca 0.75 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 1w2b h ALA 12 Cb 1.85 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.95 1w2b h ALA 12 CO -0.58 -0.92 -0.46 -0.22 0.00 0.00 0.00 179.25 177.08 1w2b h LYS 13 N -0.72 -0.81 -0.90 0.00 3.64 0.14 0.14 116.57 118.05 1w2b h LYS 13 Ca -0.06 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1w2b h LYS 13 Cb 0.59 0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 32.46 1w2b h LYS 13 CO 0.07 -0.54 -0.43 1.28 -2.27 0.00 0.00 179.45 177.56 1w2b n LEU 14 N -5.51 -0.74 -0.29 5.20 4.77 0.26 0.20 117.00 120.89 1w2b n LEU 14 Ca -0.10 1.59 0.04 0.00 -0.03 0.00 0.00 56.01 57.51 1w2b n LEU 14 Cb 0.42 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.46 1w2b n LEU 14 CO 0.24 -1.37 1.25 -0.78 -1.33 0.00 0.00 177.39 175.39 1w2b h ASP 15 N 0.00 0.88 -0.08 -1.43 3.58 0.05 -1.94 116.42 117.48 1w2b h ASP 15 Ca 0.24 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1w2b h ASP 15 Cb 0.47 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1w2b h ASP 15 CO -0.88 0.58 0.03 -1.13 -2.88 0.00 0.00 179.24 174.96 1w2b h ASN 16 N 1.01 0.12 0.00 2.28 -0.00 0.51 -2.22 115.58 117.28 1w2b h ASN 16 Ca 0.37 -0.17 0.00 0.00 -0.00 0.00 0.00 56.30 56.50 1w2b h ASN 16 Cb 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 1w2b h ASN 16 CO -0.13 0.25 0.04 1.56 -0.00 0.00 0.00 177.43 179.15 1w2b h GLN 17 N -0.03 0.00 -0.96 6.67 4.20 0.27 -2.78 115.11 122.49 1w2b h GLN 17 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1w2b h GLN 17 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1w2b h GLN 17 CO -0.00 0.00 0.02 -1.71 -0.67 0.00 0.00 178.83 176.46 1w2b n ASN 18 N -2.57 1.90 -4.94 1.46 4.05 -0.83 -4.83 115.26 109.50 1w2b n ASN 18 Ca -0.02 -2.14 -0.21 0.00 0.45 0.00 0.00 54.58 52.66 1w2b n ASN 18 Cb 0.08 -0.53 -0.02 0.00 1.23 0.00 0.00 39.78 40.54 1w2b n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1w2b s SER 19 N 0.06 6.04 0.62 1.20 1.04 -1.05 -4.87 113.70 116.74 1w2b s SER 19 Ca 0.07 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 1w2b s SER 19 Cb 0.06 -1.60 -0.03 0.00 0.10 0.00 0.00 66.02 64.54 1w2b s SER 19 CO 0.02 -0.15 1.03 -0.60 0.98 0.00 0.00 173.24 174.52 1w2b s ARG 20 N -3.99 3.48 -0.32 4.02 3.52 -1.26 -4.98 118.95 119.42 1w2b s ARG 20 Ca 0.36 0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 56.51 1w2b s ARG 20 Cb -0.09 -2.06 -0.01 0.00 -1.56 0.00 0.00 34.95 31.23 1w2b s ARG 20 CO 0.28 -0.66 1.53 0.08 -0.81 0.00 0.00 175.30 175.72 1w2b s VAL 21 N -3.05 3.80 0.24 7.11 1.01 -1.26 -4.94 120.40 123.32 1w2b s VAL 21 Ca 0.57 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 1w2b s VAL 21 Cb -0.12 -3.94 -0.15 0.00 0.00 0.00 0.00 36.38 32.17 1w2b s VAL 21 CO 0.51 -0.50 1.07 -0.81 0.00 0.00 0.00 175.10 175.37 1w2b n PRO 22 N 7.88 1.28 -0.22 2.72 -0.04 -1.26 -4.86 135.00 140.50 1w2b n PRO 22 Ca 0.18 0.45 -0.01 0.00 -0.04 0.00 0.00 63.50 64.08 1w2b n PRO 22 Cb 0.47 -1.87 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 1w2b n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1w2b h ALA 23 N 2.59 0.40 -0.94 0.55 0.00 -2.01 -1.14 119.26 118.71 1w2b h ALA 23 Ca -0.41 0.25 0.21 0.00 0.00 0.00 0.00 54.91 54.96 1w2b h ALA 23 Cb 1.34 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 1w2b h ALA 23 CO 0.65 -0.44 0.62 0.11 0.00 0.00 0.00 179.25 180.19 1w2b h TRP 24 N -0.01 0.61 -0.42 0.00 5.08 -2.01 0.27 115.95 119.47 1w2b h TRP 24 Ca 0.30 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.28 1w2b h TRP 24 Cb 0.48 -0.18 -0.02 0.00 -3.00 0.00 0.00 29.16 26.43 1w2b h TRP 24 CO -0.53 0.14 0.21 0.28 -1.28 0.00 0.00 178.44 177.27 1w2b h VAL 25 N 0.44 1.17 -0.97 0.12 2.07 -1.56 -1.76 116.25 115.75 1w2b h VAL 25 Ca 0.50 -0.46 0.23 0.00 0.82 0.00 0.00 66.70 67.79 1w2b h VAL 25 Cb 1.21 0.70 -0.12 0.00 -1.52 0.00 0.00 31.29 31.56 1w2b h VAL 25 CO -0.21 0.18 0.54 0.24 0.02 0.00 0.00 177.57 178.34 1w2b h MET 26 N 0.54 0.54 0.13 1.57 2.86 -0.41 -0.61 114.93 119.55 1w2b h MET 26 Ca 0.15 -0.03 -0.29 0.00 -2.06 0.00 0.00 59.70 57.47 1w2b h MET 26 Cb 0.09 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1w2b h MET 26 CO -0.02 0.36 -1.33 -0.07 1.06 0.00 0.00 176.91 176.91 1w2b h LEU 27 N 0.56 0.43 -1.21 1.22 3.38 -1.36 -0.50 115.31 117.83 1w2b h LEU 27 Ca 0.61 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1w2b h LEU 27 Cb 1.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1w2b h LEU 27 CO -0.48 1.39 0.00 0.50 0.09 0.00 0.00 178.44 179.95 1w2b h LYS 28 N 0.08 0.00 -0.08 1.13 3.64 -0.30 -2.40 116.57 118.64 1w2b h LYS 28 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1w2b h LYS 28 Cb 1.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1w2b h LYS 28 CO 0.20 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.63 1w2b n THR 29 N -2.62 0.95 -3.37 1.00 -2.24 -0.36 -4.97 114.28 102.67 1w2b n THR 29 Ca 0.01 -0.97 -0.20 0.00 -2.27 0.00 0.00 64.05 60.62 1w2b n THR 29 Cb 0.23 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1w2b n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1w2b n ASP 30 N -0.24 -1.91 -1.13 3.42 8.00 -0.91 -5.04 116.55 118.75 1w2b n ASP 30 Ca 0.03 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1w2b n ASP 30 Cb 0.28 -1.69 0.00 0.00 -0.02 0.00 0.00 41.12 39.69 1w2b n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1w2b n GLU 31 N -3.28 -3.25 -0.01 -1.24 1.02 -0.24 -5.02 120.64 108.62 1w2b n GLU 31 Ca 0.03 2.42 0.00 0.00 -0.02 0.00 0.00 57.16 59.59 1w2b n GLU 31 Cb 0.49 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 1w2b n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1w2b n ARG 35 N -0.90 0.00 -3.69 3.49 1.74 -1.26 -5.08 116.66 110.97 1w2b n ARG 35 Ca 0.00 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 1w2b n ARG 35 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1w2b n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1w2b s ASN 36 N -0.21 5.62 0.63 0.55 3.84 -1.26 -4.93 114.94 119.18 1w2b s ASN 36 Ca 0.00 -3.43 0.21 0.00 0.21 0.00 0.00 52.86 49.85 1w2b s ASN 36 Cb 0.00 -1.87 1.00 0.00 -0.55 0.00 0.00 41.25 39.84 1w2b s ASN 36 CO 0.00 -0.24 1.53 0.45 -2.79 0.00 0.00 177.10 176.05 1w2b h HIS 37 N 6.31 0.00 -0.27 0.43 3.86 -2.00 -1.36 115.15 122.12 1w2b h HIS 37 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1w2b h HIS 37 Cb 0.86 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 1w2b h HIS 37 CO 0.72 0.00 0.00 1.63 0.86 0.00 0.00 177.93 181.14 1w2b n LYS 38 N -3.05 2.84 -1.86 2.45 5.02 -1.26 -4.92 118.16 117.37 1w2b n LYS 38 Ca 0.07 -1.49 -0.42 0.00 -2.02 0.00 0.00 58.31 54.44 1w2b n LYS 38 Cb 0.87 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 1w2b n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1w2b s ARG 39 N -1.83 4.18 -0.10 1.97 0.52 -0.51 -4.79 118.95 118.39 1w2b s ARG 39 Ca 0.26 2.41 0.01 0.00 -0.52 0.00 0.00 55.73 57.88 1w2b s ARG 39 Cb 0.20 -3.62 0.02 0.00 0.52 0.00 0.00 34.95 32.07 1w2b s ARG 39 CO 0.07 -0.77 -0.09 0.50 0.02 0.00 0.00 175.30 175.03 1w2b s ARG 40 N 2.74 1.61 0.17 3.54 3.52 -1.26 -5.07 118.95 124.20 1w2b s ARG 40 Ca 0.76 -0.32 -0.14 0.00 -0.13 0.00 0.00 55.73 55.90 1w2b s ARG 40 Cb -0.41 -1.53 -0.07 0.00 -1.56 0.00 0.00 34.95 31.37 1w2b s ARG 40 CO 0.34 -0.16 0.58 -1.58 -0.81 0.00 0.00 175.30 173.66 1w2b s HIS 41 N 1.32 3.58 -0.70 5.12 5.65 -1.26 -4.97 115.29 124.03 1w2b s HIS 41 Ca -0.02 1.09 0.14 0.00 0.25 0.00 0.00 55.06 56.52 1w2b s HIS 41 Cb -0.14 -2.40 0.65 0.00 -1.18 0.00 0.00 32.58 29.52 1w2b s HIS 41 CO -0.04 0.39 1.43 -2.67 -0.65 0.00 0.00 174.74 173.20 1w2b n TRP 42 N 0.64 0.35 -0.01 3.88 4.27 -1.26 -1.91 117.44 123.40 1w2b n TRP 42 Ca -0.04 0.16 -0.01 0.00 -3.89 0.00 0.00 57.50 53.72 1w2b n TRP 42 Cb 0.52 -0.76 -0.01 0.00 -1.36 0.00 0.00 31.31 29.70 1w2b n TRP 42 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27 1w2b n ARG 43 N -1.84 0.04 0.07 -2.67 0.63 -1.26 -4.72 116.66 106.91 1w2b n ARG 43 Ca 0.01 0.01 -0.04 0.00 -0.92 0.00 0.00 57.85 56.91 1w2b n ARG 43 Cb 0.10 -0.91 0.17 0.00 0.45 0.00 0.00 32.46 32.27 1w2b n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1w2b h ARG 44 N -0.02 0.29 -6.25 -0.14 2.47 -1.98 -3.45 114.38 105.30 1w2b h ARG 44 Ca -0.04 -0.16 -0.48 0.00 -1.26 0.00 0.00 59.98 58.03 1w2b h ARG 44 Cb 1.05 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 1w2b h ARG 44 CO -0.01 0.71 -0.32 -0.80 0.56 0.00 0.00 179.97 180.11 1w2b s ASN 45 N -6.88 5.15 -0.05 7.04 0.01 -0.80 -4.97 114.94 114.43 1w2b s ASN 45 Ca -0.05 -0.73 0.01 0.00 -0.71 0.00 0.00 52.86 51.38 1w2b s ASN 45 Cb 0.13 -0.42 0.02 0.00 0.41 0.00 0.00 41.25 41.39 1w2b s ASN 45 CO 0.79 -0.78 -0.03 -0.62 -1.51 0.00 0.00 177.10 174.95 1w2b s ASP 46 N -4.24 1.01 0.34 -1.22 -1.08 -1.26 -4.81 116.67 105.41 1w2b s ASP 46 Ca 0.50 -0.11 -0.00 0.00 -0.52 0.00 0.00 52.55 52.41 1w2b s ASP 46 Cb -0.05 -0.43 -0.03 0.00 -1.46 0.00 0.00 42.92 40.95 1w2b s ASP 46 CO 0.29 -0.08 0.55 0.42 0.52 0.00 0.00 175.17 176.87 1w2b s THR 47 N 1.11 5.10 1.08 1.71 -4.23 -1.26 -5.08 115.64 114.06 1w2b s THR 47 Ca -0.08 -0.39 -0.14 0.00 -1.18 0.00 0.00 61.69 59.89 1w2b s THR 47 Cb -0.14 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.09 1w2b s THR 47 CO -0.01 -0.54 1.08 -1.81 -0.54 0.00 0.00 174.62 172.80 1w2b s ASP 48 N -3.93 1.87 0.00 3.99 -0.00 -1.26 -5.26 116.67 112.08 1w2b s ASP 48 Ca 0.40 1.09 0.00 0.00 -0.00 0.00 0.00 52.55 54.05 1w2b s ASP 48 Cb -0.10 -1.69 0.00 0.00 -0.00 0.00 0.00 42.92 41.13 1w2b s ASP 48 CO 0.36 -3.59 0.00 -0.62 -0.00 0.00 0.00 175.17 171.32