#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s s LYS 2 N 0.00 3.86 0.39 0.03 2.20 -1.26 -5.00 119.74 119.97 2x9s s LYS 2 Ca 0.00 1.77 -0.06 0.00 -0.36 0.00 0.00 55.97 57.32 2x9s s LYS 2 Cb 0.00 -4.03 0.09 0.00 -1.51 0.00 0.00 37.83 32.38 2x9s s LYS 2 CO 0.00 -1.22 0.53 0.54 -0.36 0.00 0.00 175.35 174.85 2x9s n ARG 3 N 7.56 -0.39 0.07 4.03 5.12 -1.26 -5.03 116.66 126.76 2x9s n ARG 3 Ca 0.19 -0.91 -0.09 0.00 -1.93 0.00 0.00 57.85 55.10 2x9s n ARG 3 Cb 0.45 -0.52 -0.13 0.00 -1.16 0.00 0.00 32.46 31.10 2x9s n ARG 3 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2x9s h THR 4 N -1.17 1.62 -3.18 0.55 1.35 -2.09 -3.43 112.91 106.55 2x9s h THR 4 Ca -0.17 -3.30 -0.61 0.00 -0.55 0.00 0.00 66.41 61.77 2x9s h THR 4 Cb 0.50 2.85 -0.12 0.00 -1.73 0.00 0.00 68.15 69.65 2x9s h THR 4 CO 0.13 0.94 0.56 0.86 -0.25 0.00 0.00 175.52 177.76 2x9s s TRP 5 N -2.69 2.79 -0.68 4.73 -0.00 -1.26 -4.92 118.94 116.90 2x9s s TRP 5 Ca -0.01 -0.04 0.05 0.00 -0.00 0.00 0.00 56.10 56.10 2x9s s TRP 5 Cb 0.09 -4.08 0.21 0.00 -0.00 0.00 0.00 33.47 29.69 2x9s s TRP 5 CO 0.84 -1.36 0.63 1.04 -0.00 0.00 0.00 176.95 178.09 2x9s n GLN 6 N 7.46 2.21 -1.46 5.86 1.13 -1.26 -5.08 117.38 126.24 2x9s n GLN 6 Ca 0.01 -4.59 -0.52 0.00 -1.94 0.00 0.00 57.00 49.97 2x9s n GLN 6 Cb 0.47 -2.28 -0.05 0.00 0.11 0.00 0.00 30.24 28.50 2x9s n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2x9s n PRO 7 N 1.41 0.21 -3.43 -1.09 -0.04 -1.26 -5.00 135.00 125.79 2x9s n PRO 7 Ca 0.25 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.74 2x9s n PRO 7 Cb 0.38 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2x9s n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2x9s s ASN 8 N -0.53 -0.53 0.17 3.54 3.04 -1.26 -5.08 114.94 114.30 2x9s s ASN 8 Ca 0.74 0.82 -0.14 0.00 0.04 0.00 0.00 52.86 54.32 2x9s s ASN 8 Cb -1.02 1.64 0.07 0.00 -1.54 0.00 0.00 41.25 40.40 2x9s s ASN 8 CO 0.56 -0.26 1.82 0.03 -3.04 0.00 0.00 177.10 176.21 2x9s h ARG 9 N 8.10 0.75 -0.28 0.43 3.08 -1.94 -1.37 114.38 123.15 2x9s h ARG 9 Ca -0.19 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 2x9s h ARG 9 Cb 1.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2x9s h ARG 9 CO 0.20 0.53 0.09 -0.09 -1.07 0.00 0.00 179.97 179.63 2x9s h ARG 10 N 0.75 0.43 -0.35 0.04 2.43 -1.98 -1.20 114.38 114.50 2x9s h ARG 10 Ca 0.20 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 2x9s h ARG 10 Cb -0.03 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 2x9s h ARG 10 CO -0.04 0.49 0.03 -0.22 -1.51 0.00 0.00 179.97 178.72 2x9s h LYS 11 N 0.29 0.13 -0.84 0.20 1.63 -1.95 -0.64 116.57 115.40 2x9s h LYS 11 Ca 0.09 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2x9s h LYS 11 Cb 0.24 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 2x9s h LYS 11 CO -0.00 0.09 0.55 -0.09 -3.45 0.00 0.00 179.45 176.54 2x9s h ARG 12 N 0.14 1.07 0.37 1.90 2.43 -1.05 -2.19 114.38 117.05 2x9s h ARG 12 Ca 0.17 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2x9s h ARG 12 Cb 0.22 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2x9s h ARG 12 CO -0.26 0.71 -0.18 0.00 -1.51 0.00 0.00 179.97 178.74 2x9s h ALA 13 N 1.32 -0.49 0.00 2.80 0.00 -0.43 -2.47 119.26 119.98 2x9s h ALA 13 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2x9s h ALA 13 Cb -0.09 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2x9s h ALA 13 CO -0.08 -0.65 0.00 1.63 0.00 0.00 0.00 179.25 180.15 2x9s n LYS 14 N -5.20 0.17 -0.08 0.00 5.02 -0.32 -0.03 118.16 117.72 2x9s n LYS 14 Ca -0.10 0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 56.22 2x9s n LYS 14 Cb 0.27 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2x9s n LYS 14 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2x9s n THR 15 N -1.36 1.40 0.63 -0.18 -1.04 -0.83 -4.69 114.28 108.21 2x9s n THR 15 Ca 0.07 0.05 0.11 0.00 -2.04 0.00 0.00 64.05 62.24 2x9s n THR 15 Cb 0.16 -2.10 0.14 0.00 -1.82 0.00 0.00 70.33 66.71 2x9s n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2x9s n HIS 16 N -4.21 0.21 -0.68 -1.42 8.25 -0.94 -4.77 115.22 111.67 2x9s n HIS 16 Ca -0.20 -0.11 -0.31 0.00 -0.26 0.00 0.00 57.72 56.83 2x9s n HIS 16 Cb 0.53 -0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.81 2x9s n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x9s n GLY 17 N 1.30 -1.26 0.34 -1.41 0.00 0.95 -4.37 105.19 100.73 2x9s n GLY 17 Ca 0.15 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 2x9s n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2x9s h PHE 18 N -1.94 -0.75 -0.98 1.61 3.57 -1.95 -1.23 116.94 115.26 2x9s h PHE 18 Ca -0.47 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.20 2x9s h PHE 18 Cb 1.29 0.25 -0.10 0.00 2.79 0.00 0.00 35.95 40.18 2x9s h PHE 18 CO 0.41 -0.45 0.61 0.00 -2.23 0.00 0.00 178.31 176.65 2x9s h ARG 19 N -0.86 0.67 -0.40 1.11 3.08 -1.92 0.44 114.38 116.50 2x9s h ARG 19 Ca -0.08 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 2x9s h ARG 19 Cb 0.64 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2x9s h ARG 19 CO 0.14 0.45 -0.31 0.00 -1.07 0.00 0.00 179.97 179.17 2x9s h ALA 20 N 1.63 0.69 -0.27 0.04 0.00 -1.81 -2.74 119.26 116.80 2x9s h ALA 20 Ca 0.55 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2x9s h ALA 20 Cb 0.94 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2x9s h ALA 20 CO -0.32 0.67 -0.10 0.00 0.00 0.00 0.00 179.25 179.49 2x9s h ARG 21 N 0.74 0.44 -0.53 0.00 2.47 0.25 -3.14 114.38 114.62 2x9s h ARG 21 Ca 0.08 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 2x9s h ARG 21 Cb 0.88 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 2x9s h ARG 21 CO 0.08 0.55 -0.09 0.52 0.56 0.00 0.00 179.97 181.59 2x9s h MET 22 N 0.41 1.00 -0.53 0.04 2.86 -0.80 -1.54 114.93 116.38 2x9s h MET 22 Ca 0.08 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.40 2x9s h MET 22 Cb 0.44 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 2x9s h MET 22 CO 0.02 1.05 0.26 0.00 1.06 0.00 0.00 176.91 179.30 2x9s h ARG 23 N 0.87 0.49 -6.41 1.72 3.08 -1.46 -3.41 114.38 109.26 2x9s h ARG 23 Ca 0.14 -0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.63 2x9s h ARG 23 Cb 0.65 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2x9s h ARG 23 CO 0.05 0.32 0.23 -0.08 -1.07 0.00 0.00 179.97 179.42 2x9s s THR 24 N -6.13 4.62 0.28 2.04 -1.32 -1.24 -4.97 115.64 108.92 2x9s s THR 24 Ca -0.13 1.79 -0.02 0.00 -1.21 0.00 0.00 61.69 62.12 2x9s s THR 24 Cb 0.14 -4.19 0.27 0.00 -1.51 0.00 0.00 72.50 67.21 2x9s s THR 24 CO 0.74 0.36 1.91 1.55 -2.21 0.00 0.00 174.62 176.97 2x9s h PRO 25 N 5.54 1.12 -0.33 7.08 0.13 -1.87 0.19 132.00 143.86 2x9s h PRO 25 Ca -0.44 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2x9s h PRO 25 Cb 1.21 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2x9s h PRO 25 CO 0.71 0.74 -0.27 0.78 -0.23 0.00 0.00 178.00 179.73 2x9s h GLY 26 N 1.15 0.74 1.02 1.56 0.00 -1.93 -2.64 103.07 102.97 2x9s h GLY 26 Ca 0.39 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 2x9s h GLY 26 CO -0.13 0.59 -0.02 -1.33 0.00 0.00 0.00 176.54 175.65 2x9s h GLY 27 N 0.99 0.96 0.85 4.60 0.00 -1.27 -2.40 103.07 106.80 2x9s h GLY 27 Ca 0.08 -0.72 0.08 0.00 0.00 0.00 0.00 47.33 46.77 2x9s h GLY 27 CO 0.06 0.66 0.54 3.21 0.00 0.00 0.00 176.54 181.01 2x9s h ARG 28 N 0.75 0.82 -0.30 4.80 3.08 0.38 -0.60 114.38 123.30 2x9s h ARG 28 Ca 0.14 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 2x9s h ARG 28 Cb 0.54 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2x9s h ARG 28 CO 0.03 0.54 -0.07 0.87 -1.07 0.00 0.00 179.97 180.27 2x9s h LYS 29 N 0.84 0.49 0.51 0.04 1.79 -1.08 -0.58 116.57 118.59 2x9s h LYS 29 Ca 0.37 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 2x9s h LYS 29 Cb 0.34 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2x9s h LYS 29 CO -0.14 0.57 -0.25 0.28 -1.08 0.00 0.00 179.45 178.83 2x9s h VAL 30 N 0.46 0.47 -0.50 0.50 2.07 -0.67 0.39 116.25 118.97 2x9s h VAL 30 Ca 0.09 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2x9s h VAL 30 Cb 0.41 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 2x9s h VAL 30 CO 0.02 0.03 -0.07 -0.07 0.02 0.00 0.00 177.57 177.50 2x9s h LEU 31 N -0.80 -0.36 -0.09 2.57 3.38 -1.25 0.49 115.31 119.24 2x9s h LEU 31 Ca -0.07 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2x9s h LEU 31 Cb 0.58 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2x9s h LEU 31 CO 0.12 -0.13 -0.13 0.50 0.09 0.00 0.00 178.44 178.89 2x9s h LYS 32 N 0.04 -0.16 -0.55 1.13 3.64 -0.83 0.06 116.57 119.90 2x9s h LYS 32 Ca 0.25 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2x9s h LYS 32 Cb 0.38 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2x9s h LYS 32 CO -0.47 -0.11 0.33 -0.09 -2.27 0.00 0.00 179.45 176.84 2x9s h ARG 33 N -0.17 0.64 -0.08 1.90 2.43 0.13 -1.34 114.38 117.89 2x9s h ARG 33 Ca 0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2x9s h ARG 33 Cb 0.28 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2x9s h ARG 33 CO -0.19 0.42 0.01 0.00 -1.51 0.00 0.00 179.97 178.70 2x9s h ARG 34 N 0.66 0.13 -0.54 0.20 3.08 0.29 -2.78 114.38 115.42 2x9s h ARG 34 Ca 0.22 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.30 2x9s h ARG 34 Cb 0.02 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2x9s h ARG 34 CO -0.10 0.35 0.25 0.00 -1.07 0.00 0.00 179.97 179.40 2x9s h ARG 35 N -0.10 0.46 0.00 0.04 3.08 -0.85 -0.38 114.38 116.64 2x9s h ARG 35 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x9s h ARG 35 Cb 0.28 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2x9s h ARG 35 CO 0.00 0.31 0.00 0.94 -1.07 0.00 0.00 179.97 180.15 2x9s n GLN 36 N -4.92 0.12 -0.01 0.04 0.00 -0.52 -1.33 117.38 110.77 2x9s n GLN 36 Ca 0.06 0.50 0.11 0.00 -0.00 0.00 0.00 57.00 57.67 2x9s n GLN 36 Cb 0.18 -1.81 -0.15 0.00 0.00 0.00 0.00 30.24 28.46 2x9s n GLN 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2x9s n LYS 37 N -2.06 0.40 -1.51 3.69 4.81 -0.24 -5.01 118.16 118.24 2x9s n LYS 37 Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2x9s n LYS 37 Cb 0.11 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.64 2x9s n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2x9s n GLY 38 N 1.35 0.93 3.77 3.14 0.00 -0.44 -5.04 105.19 108.90 2x9s n GLY 38 Ca -0.01 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2x9s n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x9s s ARG 39 N -3.19 4.37 0.49 1.61 1.81 -1.13 -4.89 118.95 118.01 2x9s s ARG 39 Ca 0.00 2.00 0.28 0.00 -1.72 0.00 0.00 55.73 56.29 2x9s s ARG 39 Cb 0.00 -3.01 0.89 0.00 -0.45 0.00 0.00 34.95 32.38 2x9s s ARG 39 CO 0.00 -0.10 1.81 -1.49 -0.68 0.00 0.00 175.30 174.84 2x9s h TRP 40 N 3.33 0.00 -3.35 -0.53 4.06 -1.96 -3.42 115.95 114.08 2x9s h TRP 40 Ca -0.48 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 59.91 2x9s h TRP 40 Cb 1.22 0.00 -0.34 0.00 -1.00 0.00 0.00 29.16 29.05 2x9s h TRP 40 CO 0.56 0.05 -0.83 1.03 -3.56 0.00 0.00 178.44 175.69 2x9s s ARG 41 N -3.47 2.02 -0.13 0.49 0.52 -1.26 -5.00 118.95 112.12 2x9s s ARG 41 Ca 0.03 -0.51 0.17 0.00 -0.52 0.00 0.00 55.73 54.90 2x9s s ARG 41 Cb 0.08 -1.67 -0.24 0.00 0.52 0.00 0.00 34.95 33.63 2x9s s ARG 41 CO 0.61 0.01 0.32 1.28 0.02 0.00 0.00 175.30 177.53 2x9s n LEU 42 N 3.94 0.30 -4.48 2.53 4.77 -1.26 -4.94 117.00 117.86 2x9s n LEU 42 Ca -0.21 0.14 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 2x9s n LEU 42 Cb 0.52 0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 41.84 2x9s n LEU 42 CO 0.25 0.41 -0.49 -0.89 -1.33 0.00 0.00 177.39 175.33 2x9s s THR 43 N -2.62 2.72 0.32 -5.08 2.01 -1.26 -4.90 115.64 106.83 2x9s s THR 43 Ca -0.08 -1.72 -0.29 0.00 0.31 0.00 0.00 61.69 59.91 2x9s s THR 43 Cb 0.07 -2.29 -0.11 0.00 0.01 0.00 0.00 72.50 70.19 2x9s s THR 43 CO 0.83 -0.01 1.41 -2.84 -0.69 0.00 0.00 174.62 173.32 2x9s s PRO 44 N -2.45 4.25 0.08 4.92 0.02 -1.26 -4.94 135.00 135.62 2x9s s PRO 44 Ca 0.20 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.29 2x9s s PRO 44 Cb -0.09 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 2x9s s PRO 44 CO 0.11 -0.37 1.04 0.00 -0.33 0.00 0.00 177.00 177.44 2x9s s ALA 45 N -0.82 3.27 0.21 -1.55 0.00 -1.26 -4.95 121.76 116.67 2x9s s ALA 45 Ca 0.53 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 2x9s s ALA 45 Cb -0.43 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 2x9s s ALA 45 CO 0.54 -0.20 0.41 0.08 0.00 0.00 0.00 175.76 176.59 2x9s s VAL 46 N 0.44 0.02 0.09 0.00 1.01 -1.26 -5.14 120.40 115.56 2x9s s VAL 46 Ca 0.51 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 2x9s s VAL 46 Cb -0.25 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 2x9s s VAL 46 CO 0.30 -0.10 0.20 0.00 0.00 0.00 0.00 175.10 175.50 2x9s s ARG 47 N -3.99 0.86 0.25 2.72 1.70 -1.26 -5.17 118.95 114.07 2x9s s ARG 47 Ca 0.20 -0.96 0.02 0.00 -0.47 0.00 0.00 55.73 54.51 2x9s s ARG 47 Cb 0.01 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 2x9s s ARG 47 CO 0.05 -0.28 0.16 -1.59 -1.08 0.00 0.00 175.30 172.56 2x9s s LYS 48 N -3.87 1.41 0.00 3.89 -2.85 -1.26 -4.99 119.74 112.08 2x9s s LYS 48 Ca 0.06 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.25 2x9s s LYS 48 Cb 0.05 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2x9s s LYS 48 CO -0.10 -0.44 0.00 2.89 0.10 0.00 0.00 175.35 177.80