#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd6 s LYS 2 N 0.00 3.22 0.04 1.61 -0.14 -1.26 -5.12 119.74 118.10 3cd6 s LYS 2 Ca 0.00 -0.71 -0.12 0.00 -1.36 0.00 0.00 55.97 53.78 3cd6 s LYS 2 Cb 0.00 -2.82 -0.06 0.00 -1.68 0.00 0.00 37.83 33.27 3cd6 s LYS 2 CO 0.00 -0.19 0.40 -1.59 -0.76 0.00 0.00 175.35 173.21 3cd6 s LYS 3 N 1.36 3.81 0.79 1.68 -2.85 -1.26 -5.10 119.74 118.17 3cd6 s LYS 3 Ca 0.05 0.26 -0.07 0.00 -1.00 0.00 0.00 55.97 55.21 3cd6 s LYS 3 Cb -0.14 -3.09 0.13 0.00 -2.06 0.00 0.00 37.83 32.67 3cd6 s LYS 3 CO -0.07 0.62 1.09 -1.54 0.10 0.00 0.00 175.35 175.56 3cd6 s SER 4 N -1.47 4.11 0.16 0.03 1.04 -1.26 -4.89 113.70 111.42 3cd6 s SER 4 Ca 0.29 0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.63 3cd6 s SER 4 Cb -0.15 -0.39 0.05 0.00 0.10 0.00 0.00 66.02 65.62 3cd6 s SER 4 CO 0.16 -2.05 1.69 0.50 0.98 0.00 0.00 173.24 174.53 3cd6 h LYS 5 N -0.87 0.82 -0.28 4.02 3.64 -1.99 -1.50 116.57 120.42 3cd6 h LYS 5 Ca -0.41 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 3cd6 h LYS 5 Cb 1.27 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3cd6 h LYS 5 CO 0.45 0.74 0.06 0.00 -2.27 0.00 0.00 179.45 178.43 3cd6 h ALA 6 N 1.04 0.36 -0.97 5.00 0.00 -1.99 -0.89 119.26 121.81 3cd6 h ALA 6 Ca 0.17 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3cd6 h ALA 6 Cb 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3cd6 h ALA 6 CO -0.01 0.03 0.64 1.15 0.00 0.00 0.00 179.25 181.06 3cd6 h THR 7 N 0.28 1.21 -0.31 0.00 2.02 -1.92 -0.94 112.91 113.24 3cd6 h THR 7 Ca 0.09 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 3cd6 h THR 7 Cb 0.29 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 3cd6 h THR 7 CO 0.00 0.23 -0.24 0.50 0.37 0.00 0.00 175.52 176.38 3cd6 h LYS 8 N 1.28 0.61 -0.16 6.66 3.64 -0.95 -1.18 116.57 126.46 3cd6 h LYS 8 Ca 0.37 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3cd6 h LYS 8 Cb -0.07 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3cd6 h LYS 8 CO -0.10 0.80 -0.43 0.87 -2.27 0.00 0.00 179.45 178.33 3cd6 h LYS 9 N 0.54 0.38 -0.09 1.90 1.57 0.09 -1.42 116.57 119.54 3cd6 h LYS 9 Ca 0.08 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3cd6 h LYS 9 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3cd6 h LYS 9 CO 0.05 0.74 -0.33 0.00 -0.57 0.00 0.00 179.45 179.35 3cd6 h ARG 10 N 0.31 0.38 -0.05 3.15 3.08 -0.91 -2.02 114.38 118.32 3cd6 h ARG 10 Ca 0.03 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3cd6 h ARG 10 Cb 0.88 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3cd6 h ARG 10 CO 0.07 0.92 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.64 3cd6 h LEU 11 N -0.07 0.08 -0.44 3.04 3.38 -1.18 -1.69 115.31 118.43 3cd6 h LEU 11 Ca -0.01 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3cd6 h LEU 11 Cb 0.96 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3cd6 h LEU 11 CO 0.07 0.27 -0.15 0.00 0.09 0.00 0.00 178.44 178.72 3cd6 h ALA 12 N 1.74 0.61 -0.36 1.53 0.00 -1.14 -2.13 119.26 119.51 3cd6 h ALA 12 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3cd6 h ALA 12 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3cd6 h ALA 12 CO 0.02 0.53 -0.06 -0.22 0.00 0.00 0.00 179.25 179.53 3cd6 h LYS 13 N 0.70 0.67 -0.47 0.00 3.64 -0.76 -2.66 116.57 117.68 3cd6 h LYS 13 Ca 0.10 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3cd6 h LYS 13 Cb 0.70 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3cd6 h LYS 13 CO 0.05 0.81 0.31 -0.07 -2.27 0.00 0.00 179.45 178.29 3cd6 h LEU 14 N 0.47 0.51 -0.39 5.20 3.38 -1.21 0.11 115.31 123.38 3cd6 h LEU 14 Ca 0.09 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3cd6 h LEU 14 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3cd6 h LEU 14 CO 0.03 0.37 -0.38 -0.78 0.09 0.00 0.00 178.44 177.77 3cd6 h ASP 15 N 0.60 1.01 0.57 -0.43 3.58 -1.20 -2.57 116.42 117.99 3cd6 h ASP 15 Ca 0.18 -0.46 -0.15 0.00 0.42 0.00 0.00 57.03 57.01 3cd6 h ASP 15 Cb -0.01 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 3cd6 h ASP 15 CO -0.04 1.27 -0.70 -1.13 -2.88 0.00 0.00 179.24 175.76 3cd6 h ASN 16 N 0.77 0.13 1.08 2.28 -0.73 -0.95 -2.82 115.58 115.34 3cd6 h ASN 16 Ca 0.06 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 3cd6 h ASN 16 Cb 0.98 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 3cd6 h ASN 16 CO 0.09 0.78 -0.00 1.56 -0.37 0.00 0.00 177.43 179.50 3cd6 h GLN 17 N 0.07 0.00 0.00 6.67 4.20 -0.72 -2.87 115.11 122.46 3cd6 h GLN 17 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3cd6 h GLN 17 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3cd6 h GLN 17 CO 0.10 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.55 3cd6 n ASN 18 N -3.09 0.00 -4.89 1.46 4.05 -0.98 -4.86 115.26 106.96 3cd6 n ASN 18 Ca 0.01 -1.65 -0.29 0.00 0.45 0.00 0.00 54.58 53.10 3cd6 n ASN 18 Cb 0.32 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.31 3cd6 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3cd6 s SER 19 N -1.29 6.40 0.61 1.20 1.04 -1.09 -4.90 113.70 115.68 3cd6 s SER 19 Ca 0.11 1.08 -0.15 0.00 0.48 0.00 0.00 55.95 57.46 3cd6 s SER 19 Cb 0.05 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 3cd6 s SER 19 CO 0.08 -0.51 1.06 -0.60 0.98 0.00 0.00 173.24 174.25 3cd6 s ARG 20 N -4.31 3.24 -0.17 4.02 3.52 -1.26 -4.98 118.95 119.01 3cd6 s ARG 20 Ca 0.50 1.18 -0.29 0.00 -0.13 0.00 0.00 55.73 56.99 3cd6 s ARG 20 Cb -0.10 -2.02 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 3cd6 s ARG 20 CO 0.38 -0.87 1.65 0.08 -0.81 0.00 0.00 175.30 175.73 3cd6 s VAL 21 N -2.53 3.64 0.38 7.11 1.01 -1.26 -4.94 120.40 123.81 3cd6 s VAL 21 Ca 0.63 0.73 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 3cd6 s VAL 21 Cb -0.16 -3.60 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 3cd6 s VAL 21 CO 0.40 -0.21 0.72 -0.81 0.00 0.00 0.00 175.10 175.19 3cd6 n PRO 22 N 7.54 0.81 -0.35 2.72 -0.04 -1.26 -4.87 135.00 139.55 3cd6 n PRO 22 Ca 0.19 0.29 0.26 0.00 -0.04 0.00 0.00 63.50 64.20 3cd6 n PRO 22 Cb 0.44 -1.63 0.55 0.00 -0.04 0.00 0.00 33.50 32.83 3cd6 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cd6 h ALA 23 N 1.16 2.38 0.00 0.55 0.00 -2.03 -2.34 119.26 118.99 3cd6 h ALA 23 Ca -0.40 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3cd6 h ALA 23 Cb 1.38 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3cd6 h ALA 23 CO 0.55 -0.83 -0.46 0.11 0.00 0.00 0.00 179.25 178.61 3cd6 h TRP 24 N 0.31 0.00 0.00 0.00 5.08 -2.01 -3.07 115.95 116.26 3cd6 h TRP 24 Ca 0.64 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.55 3cd6 h TRP 24 Cb 1.76 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.91 3cd6 h TRP 24 CO -0.00 0.46 -0.25 0.28 -1.28 0.00 0.00 178.44 177.65 3cd6 h VAL 25 N 0.00 0.83 -0.08 0.12 2.07 -1.77 -0.57 116.25 116.85 3cd6 h VAL 25 Ca -0.00 -0.99 -0.16 0.00 0.82 0.00 0.00 66.70 66.37 3cd6 h VAL 25 Cb 0.99 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3cd6 h VAL 25 CO 0.06 0.24 -0.63 0.24 0.02 0.00 0.00 177.57 177.51 3cd6 h MET 26 N 0.00 0.31 0.12 1.57 2.86 -1.64 -1.49 114.93 116.65 3cd6 h MET 26 Ca -0.00 -0.22 -0.29 0.00 -2.06 0.00 0.00 59.70 57.13 3cd6 h MET 26 Cb 0.57 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3cd6 h MET 26 CO 0.03 0.83 -1.37 -0.07 1.06 0.00 0.00 176.91 177.39 3cd6 h LEU 27 N 0.22 0.39 -0.25 1.22 3.38 -1.51 -1.17 115.31 117.59 3cd6 h LEU 27 Ca -0.01 -0.47 -0.21 0.00 0.09 0.00 0.00 57.88 57.28 3cd6 h LEU 27 Cb 1.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3cd6 h LEU 27 CO 0.10 1.38 -0.79 0.50 0.09 0.00 0.00 178.44 179.73 3cd6 h LYS 28 N 0.07 0.60 0.00 1.13 3.64 -1.08 -3.18 116.57 117.74 3cd6 h LYS 28 Ca -0.18 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 3cd6 h LYS 28 Cb 1.99 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 3cd6 h LYS 28 CO 0.18 1.13 -0.62 0.25 -2.27 0.00 0.00 179.45 178.12 3cd6 n THR 29 N -3.88 0.01 -3.50 1.00 -2.24 -0.57 -4.97 114.28 100.14 3cd6 n THR 29 Ca -0.06 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 3cd6 n THR 29 Cb 0.74 0.40 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3cd6 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cd6 n ASP 30 N -1.52 -3.32 -1.67 3.42 8.00 -0.97 -5.07 116.55 115.41 3cd6 n ASP 30 Ca 0.05 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3cd6 n ASP 30 Cb 0.34 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 3cd6 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cd6 n ARG 31 N -3.95 -4.70 0.00 -1.24 1.74 -0.48 -5.04 116.66 102.99 3cd6 n ARG 31 Ca -0.21 3.40 0.00 0.00 -0.77 0.00 0.00 57.85 60.26 3cd6 n ARG 31 Cb 0.65 -3.75 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 3cd6 n ARG 31 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3cd6 n ARG 35 N 0.33 0.00 -2.90 5.56 0.63 -1.26 -5.02 116.66 114.00 3cd6 n ARG 35 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3cd6 n ARG 35 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 3cd6 n ARG 35 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3cd6 s ASN 36 N 0.00 6.40 0.00 6.15 2.47 -1.26 -4.91 114.94 123.79 3cd6 s ASN 36 Ca 0.00 -0.17 0.28 0.00 0.42 0.00 0.00 52.86 53.39 3cd6 s ASN 36 Cb 0.00 -2.41 1.36 0.00 -1.45 0.00 0.00 41.25 38.75 3cd6 s ASN 36 CO 0.00 -1.04 1.95 1.41 -3.72 0.00 0.00 177.10 175.70 3cd6 n HIS 37 N 7.01 0.00 -1.11 0.43 8.25 -1.26 -3.25 115.22 125.29 3cd6 n HIS 37 Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 3cd6 n HIS 37 Cb 0.48 -0.34 0.26 0.00 1.12 0.00 0.00 29.99 31.52 3cd6 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3cd6 n LYS 38 N -1.34 2.95 -1.81 -0.41 5.02 -1.26 -5.01 118.16 116.30 3cd6 n LYS 38 Ca 0.12 -2.99 -0.43 0.00 -2.02 0.00 0.00 58.31 52.99 3cd6 n LYS 38 Cb 0.25 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 3cd6 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3cd6 s ARG 39 N -2.97 3.78 0.10 1.97 0.52 -1.20 -4.82 118.95 116.34 3cd6 s ARG 39 Ca 0.46 2.15 0.09 0.00 -0.52 0.00 0.00 55.73 57.92 3cd6 s ARG 39 Cb 0.38 -4.17 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 3cd6 s ARG 39 CO 0.08 -1.34 -0.20 0.50 0.02 0.00 0.00 175.30 174.36 3cd6 s ARG 40 N 4.98 1.76 0.12 3.54 3.52 -1.26 -5.07 118.95 126.54 3cd6 s ARG 40 Ca 0.85 -1.17 0.09 0.00 -0.13 0.00 0.00 55.73 55.37 3cd6 s ARG 40 Cb -0.34 -2.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 3cd6 s ARG 40 CO 0.35 0.49 -0.23 -1.58 -0.81 0.00 0.00 175.30 173.52 3cd6 s HIS 41 N -1.07 1.95 0.36 5.12 5.65 -1.26 -5.01 115.29 121.03 3cd6 s HIS 41 Ca 0.16 -0.41 0.15 0.00 0.25 0.00 0.00 55.06 55.21 3cd6 s HIS 41 Cb -0.10 -1.06 0.79 0.00 -1.18 0.00 0.00 32.58 31.03 3cd6 s HIS 41 CO 0.08 0.26 1.84 0.11 -0.65 0.00 0.00 174.74 176.38 3cd6 h TRP 42 N 3.96 0.00 0.00 3.88 5.08 -2.01 -2.89 115.95 123.97 3cd6 h TRP 42 Ca -0.47 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.39 3cd6 h TRP 42 Cb 1.18 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.32 3cd6 h TRP 42 CO 0.62 0.35 -1.24 -2.13 -1.28 0.00 0.00 178.44 174.75 3cd6 n ARG 43 N -4.02 0.53 0.20 0.12 0.63 -1.26 -4.65 116.66 108.22 3cd6 n ARG 43 Ca -0.02 0.29 0.05 0.00 -0.92 0.00 0.00 57.85 57.25 3cd6 n ARG 43 Cb 0.40 -1.50 0.51 0.00 0.45 0.00 0.00 32.46 32.32 3cd6 n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cd6 h ARG 44 N -1.00 0.07 -6.01 -0.14 2.47 -2.00 -3.45 114.38 104.31 3cd6 h ARG 44 Ca -0.15 -0.01 -0.54 0.00 -1.26 0.00 0.00 59.98 58.01 3cd6 h ARG 44 Cb 1.06 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.31 3cd6 h ARG 44 CO -0.09 0.18 -0.39 -0.80 0.56 0.00 0.00 179.97 179.42 3cd6 s ASN 45 N -6.98 4.73 -0.03 7.04 0.01 -1.09 -4.99 114.94 113.62 3cd6 s ASN 45 Ca -0.05 -1.00 0.03 0.00 -0.71 0.00 0.00 52.86 51.13 3cd6 s ASN 45 Cb 0.16 -0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.57 3cd6 s ASN 45 CO 0.70 -0.75 -0.10 -0.62 -1.51 0.00 0.00 177.10 174.82 3cd6 s ASP 46 N -4.10 1.39 0.64 -1.22 -1.08 -1.26 -4.79 116.67 106.25 3cd6 s ASP 46 Ca 0.42 -0.22 0.04 0.00 -0.52 0.00 0.00 52.55 52.27 3cd6 s ASP 46 Cb -0.01 -0.42 0.10 0.00 -1.46 0.00 0.00 42.92 41.13 3cd6 s ASP 46 CO 0.24 0.07 0.88 0.42 0.52 0.00 0.00 175.17 177.30 3cd6 s THR 47 N 0.26 2.22 0.52 1.71 -4.23 -1.26 -5.11 115.64 109.75 3cd6 s THR 47 Ca -0.05 -0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 3cd6 s THR 47 Cb -0.10 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 3cd6 s THR 47 CO 0.01 0.00 0.81 -1.81 -0.54 0.00 0.00 174.62 173.09 3cd6 s ASP 48 N -4.67 5.86 0.00 3.99 -0.00 -1.26 -5.27 116.67 115.31 3cd6 s ASP 48 Ca 0.63 0.69 0.00 0.00 -0.00 0.00 0.00 52.55 53.87 3cd6 s ASP 48 Cb -0.06 -1.84 0.00 0.00 -0.00 0.00 0.00 42.92 41.02 3cd6 s ASP 48 CO 0.41 -0.83 0.00 -0.62 -0.00 0.00 0.00 175.17 174.13