#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c n LYS 2 N 0.00 0.00 -1.43 0.03 4.81 -1.26 -4.90 118.16 115.41 3i9c n LYS 2 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 3i9c n LYS 2 Cb 0.00 -0.91 0.03 0.00 0.02 0.00 0.00 35.03 34.18 3i9c n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i9c n ARG 3 N 2.86 0.58 0.06 1.64 5.12 -1.26 -5.02 116.66 120.63 3i9c n ARG 3 Ca 0.22 -0.97 -0.04 0.00 -1.93 0.00 0.00 57.85 55.13 3i9c n ARG 3 Cb -0.03 -0.16 0.18 0.00 -1.16 0.00 0.00 32.46 31.28 3i9c n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i9c h THR 4 N -0.26 1.31 -3.31 0.55 1.03 -2.10 -3.42 112.91 106.72 3i9c h THR 4 Ca -0.10 -1.53 -0.74 0.00 -0.01 0.00 0.00 66.41 64.02 3i9c h THR 4 Cb 0.41 1.63 -0.22 0.00 -1.07 0.00 0.00 68.15 68.90 3i9c h THR 4 CO 0.12 0.47 -0.33 0.86 -0.01 0.00 0.00 175.52 176.63 3i9c s TRP 5 N -4.18 3.24 -0.56 0.00 -0.11 -1.26 -4.98 118.94 111.09 3i9c s TRP 5 Ca -0.05 -0.91 0.02 0.00 1.22 0.00 0.00 56.10 56.38 3i9c s TRP 5 Cb 0.13 -3.16 0.14 0.00 -1.50 0.00 0.00 33.47 29.08 3i9c s TRP 5 CO 0.79 -0.79 0.32 -0.65 -4.62 0.00 0.00 176.95 171.99 3i9c s GLN 6 N 1.66 2.15 0.20 5.86 -1.52 -1.26 -5.09 119.66 121.66 3i9c s GLN 6 Ca 0.04 -2.65 -0.29 0.00 -1.95 0.00 0.00 55.36 50.51 3i9c s GLN 6 Cb -0.24 -3.43 -0.17 0.00 -0.22 0.00 0.00 33.01 28.96 3i9c s GLN 6 CO 0.07 -1.13 0.65 -2.30 -0.25 0.00 0.00 175.29 172.32 3i9c n PRO 7 N 3.13 0.22 -3.15 2.91 -0.02 -1.26 -5.00 135.00 131.83 3i9c n PRO 7 Ca 0.06 0.08 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 3i9c n PRO 7 Cb 0.33 -1.18 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 3i9c n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3i9c s ASN 8 N -0.83 -1.40 0.10 2.55 3.04 -1.26 -5.08 114.94 112.06 3i9c s ASN 8 Ca 0.66 0.55 -0.22 0.00 0.04 0.00 0.00 52.86 53.89 3i9c s ASN 8 Cb -0.92 2.04 -0.07 0.00 -1.54 0.00 0.00 41.25 40.76 3i9c s ASN 8 CO 0.56 -0.26 1.37 0.03 -3.04 0.00 0.00 177.10 175.77 3i9c h ARG 9 N 7.97 -0.17 0.14 0.43 -0.00 -1.94 0.90 114.38 121.71 3i9c h ARG 9 Ca -0.14 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.37 3i9c h ARG 9 Cb 1.17 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 31.14 3i9c h ARG 9 CO 0.18 -0.11 -0.32 -0.09 0.00 0.00 0.00 179.97 179.63 3i9c h ARG 10 N -0.17 -0.54 -0.96 0.04 2.43 -1.97 0.51 114.38 113.72 3i9c h ARG 10 Ca 0.07 0.04 0.23 0.00 -0.81 0.00 0.00 59.98 59.51 3i9c h ARG 10 Cb 0.36 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 3i9c h ARG 10 CO -0.49 -0.36 0.63 -0.22 -1.51 0.00 0.00 179.97 178.02 3i9c h LYS 11 N -0.56 0.35 0.10 0.20 1.63 -1.87 0.53 116.57 116.95 3i9c h LYS 11 Ca 0.03 -0.02 -0.30 0.00 -0.85 0.00 0.00 60.65 59.51 3i9c h LYS 11 Cb 0.58 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 3i9c h LYS 11 CO -0.18 0.23 -1.51 -0.09 -3.45 0.00 0.00 179.45 174.45 3i9c h ARG 12 N 0.36 0.21 0.00 1.90 2.43 0.68 -2.62 114.38 117.34 3i9c h ARG 12 Ca 0.51 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3i9c h ARG 12 Cb 1.35 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 3i9c h ARG 12 CO -0.19 1.05 0.00 0.00 -1.51 0.00 0.00 179.97 179.32 3i9c h ALA 13 N 0.57 1.00 0.00 2.80 0.00 0.14 -2.88 119.26 120.88 3i9c h ALA 13 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3i9c h ALA 13 Cb 2.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 3i9c h ALA 13 CO 0.15 0.00 -1.32 1.17 0.00 0.00 0.00 179.25 179.25 3i9c n LYS 14 N -2.96 0.62 -0.11 0.00 4.81 0.17 -2.94 118.16 117.75 3i9c n LYS 14 Ca 0.04 0.14 -0.23 0.00 -0.87 0.00 0.00 58.31 57.39 3i9c n LYS 14 Cb 0.50 -1.78 -0.11 0.00 0.02 0.00 0.00 35.03 33.67 3i9c n LYS 14 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i9c n THR 15 N -2.74 1.53 -0.63 3.15 -1.04 -0.99 -4.42 114.28 109.14 3i9c n THR 15 Ca -0.06 -0.10 0.07 0.00 -2.04 0.00 0.00 64.05 61.93 3i9c n THR 15 Cb 0.70 -2.02 0.23 0.00 -1.82 0.00 0.00 70.33 67.42 3i9c n THR 15 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3i9c n HIS 16 N -4.40 0.83 -0.70 -1.42 8.25 -1.09 -4.86 115.22 111.83 3i9c n HIS 16 Ca -0.36 -0.70 -0.32 0.00 -0.26 0.00 0.00 57.72 56.08 3i9c n HIS 16 Cb 0.71 -0.20 0.16 0.00 1.12 0.00 0.00 29.99 31.78 3i9c n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i9c n GLY 17 N 0.08 -2.23 0.17 -1.41 0.00 -1.15 -4.50 105.19 96.15 3i9c n GLY 17 Ca 0.18 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 3i9c n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i9c h PHE 18 N -1.93 0.65 0.00 1.61 3.57 -1.96 -2.40 116.94 116.48 3i9c h PHE 18 Ca -0.50 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 60.69 3i9c h PHE 18 Cb 1.33 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3i9c h PHE 18 CO 0.26 0.97 -0.33 0.00 -2.23 0.00 0.00 178.31 176.98 3i9c h ARG 19 N 0.14 0.00 0.76 1.11 3.08 -1.92 -2.43 114.38 115.12 3i9c h ARG 19 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3i9c h ARG 19 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.01 3i9c h ARG 19 CO 0.08 0.33 -0.36 0.00 -1.07 0.00 0.00 179.97 178.94 3i9c h ALA 20 N 1.67 -1.11 -1.03 0.04 0.00 -1.85 -1.87 119.26 115.11 3i9c h ALA 20 Ca -0.00 -0.22 0.30 0.00 0.00 0.00 0.00 54.91 54.99 3i9c h ALA 20 Cb 0.65 0.39 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 3i9c h ALA 20 CO 0.04 -1.03 0.61 0.00 0.00 0.00 0.00 179.25 178.88 3i9c h ARG 21 N -1.17 0.38 -0.42 0.00 2.47 -1.21 0.39 114.38 114.82 3i9c h ARG 21 Ca -0.10 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.49 3i9c h ARG 21 Cb 0.78 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 3i9c h ARG 21 CO 0.17 0.25 -0.13 0.52 0.56 0.00 0.00 179.97 181.35 3i9c h MET 22 N 0.39 0.83 -0.44 0.04 2.86 -1.31 0.30 114.93 117.61 3i9c h MET 22 Ca 0.70 -0.33 0.09 0.00 -2.06 0.00 0.00 59.70 58.10 3i9c h MET 22 Cb 1.59 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 33.12 3i9c h MET 22 CO -0.51 0.96 -0.17 -0.09 1.06 0.00 0.00 176.91 178.16 3i9c h ARG 23 N 0.65 -0.07 -6.67 1.72 2.43 -0.06 -3.43 114.38 108.95 3i9c h ARG 23 Ca 0.10 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.77 3i9c h ARG 23 Cb 0.67 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3i9c h ARG 23 CO 0.05 -0.05 0.02 -0.08 -1.51 0.00 0.00 179.97 178.40 3i9c s THR 24 N -6.17 4.83 -0.51 0.20 -1.32 -1.19 -4.98 115.64 106.49 3i9c s THR 24 Ca -0.14 0.58 0.26 0.00 -1.21 0.00 0.00 61.69 61.18 3i9c s THR 24 Cb 0.15 -3.68 0.30 0.00 -1.51 0.00 0.00 72.50 67.77 3i9c s THR 24 CO 0.71 -0.30 1.75 1.55 -2.21 0.00 0.00 174.62 176.11 3i9c h PRO 25 N 1.86 0.00 0.02 7.08 0.13 -1.83 -2.80 132.00 136.46 3i9c h PRO 25 Ca -0.47 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 3i9c h PRO 25 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3i9c h PRO 25 CO 0.66 0.00 -1.58 0.78 -0.23 0.00 0.00 178.00 177.63 3i9c h GLY 26 N 3.61 0.04 0.94 1.56 0.00 -1.94 -3.29 103.07 103.99 3i9c h GLY 26 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3i9c h GLY 26 CO 0.00 0.09 -0.05 -1.33 0.00 0.00 0.00 176.54 175.25 3i9c h GLY 27 N 3.12 -0.15 -0.44 4.60 0.00 -1.53 -2.70 103.07 105.97 3i9c h GLY 27 Ca -0.24 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.23 3i9c h GLY 27 CO 0.10 -0.05 -0.42 3.21 0.00 0.00 0.00 176.54 179.37 3i9c h ARG 28 N -0.20 -0.23 -0.86 4.80 3.08 -0.68 0.55 114.38 120.83 3i9c h ARG 28 Ca -0.01 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.23 3i9c h ARG 28 Cb 0.16 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 3i9c h ARG 28 CO 0.02 -0.15 0.57 0.87 -1.07 0.00 0.00 179.97 180.21 3i9c h LYS 29 N -0.24 0.45 0.06 0.04 1.79 -1.59 -0.64 116.57 116.44 3i9c h LYS 29 Ca 0.18 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3i9c h LYS 29 Cb 0.57 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3i9c h LYS 29 CO -0.66 0.30 -0.04 0.28 -1.08 0.00 0.00 179.45 178.24 3i9c h VAL 30 N 0.46 0.00 -0.91 0.50 2.07 -0.56 -2.03 116.25 115.77 3i9c h VAL 30 Ca 0.44 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.10 3i9c h VAL 30 Cb 1.01 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.63 3i9c h VAL 30 CO -0.17 0.00 -0.37 0.18 0.02 0.00 0.00 177.57 177.23 3i9c n LEU 31 N -2.45 -0.62 -0.32 2.57 4.77 -0.86 0.09 117.00 120.19 3i9c n LEU 31 Ca -0.01 1.59 0.14 0.00 -0.03 0.00 0.00 56.01 57.70 3i9c n LEU 31 Cb 0.04 -0.36 0.29 0.00 -2.33 0.00 0.00 43.42 41.07 3i9c n LEU 31 CO 0.03 -1.42 0.86 0.50 -1.33 0.00 0.00 177.39 176.02 3i9c h LYS 32 N 0.00 0.07 0.07 3.23 3.64 -0.77 1.09 116.57 123.90 3i9c h LYS 32 Ca 0.31 -0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.43 3i9c h LYS 32 Cb 0.54 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3i9c h LYS 32 CO -0.90 0.05 -1.20 0.07 -2.27 0.00 0.00 179.45 175.19 3i9c h ARG 33 N 0.07 0.15 -0.94 1.90 0.11 0.37 -1.72 114.38 114.33 3i9c h ARG 33 Ca 0.57 -0.26 0.06 0.00 0.10 0.00 0.00 59.98 60.46 3i9c h ARG 33 Cb 1.19 0.10 -0.06 0.00 1.11 0.00 0.00 29.97 32.30 3i9c h ARG 33 CO -0.81 1.09 0.60 0.00 0.10 0.00 0.00 179.97 180.95 3i9c h ARG 34 N 0.04 1.06 0.34 0.08 3.08 0.26 0.85 114.38 120.09 3i9c h ARG 34 Ca -0.11 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3i9c h ARG 34 Cb 1.90 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3i9c h ARG 34 CO 0.17 0.70 -0.16 0.00 -1.07 0.00 0.00 179.97 179.60 3i9c h ARG 35 N 1.09 -0.44 -0.97 0.04 3.08 0.88 -2.49 114.38 115.56 3i9c h ARG 35 Ca 0.40 0.03 0.26 0.00 0.07 0.00 0.00 59.98 60.75 3i9c h ARG 35 Cb 0.16 0.10 -0.18 0.00 0.08 0.00 0.00 29.97 30.13 3i9c h ARG 35 CO -0.17 -0.29 0.00 1.04 -1.07 0.00 0.00 179.97 179.48 3i9c n GLN 36 N -3.66 -0.08 0.26 0.04 6.02 -0.65 0.20 117.38 119.50 3i9c n GLN 36 Ca -0.06 1.46 0.11 0.00 -0.01 0.00 0.00 57.00 58.51 3i9c n GLN 36 Cb 0.18 -2.31 0.69 0.00 1.02 0.00 0.00 30.24 29.82 3i9c n GLN 36 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3i9c h LYS 37 N 0.00 0.00 -2.57 -1.09 3.64 0.72 -3.47 116.57 113.80 3i9c h LYS 37 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 3i9c h LYS 37 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3i9c h LYS 37 CO -0.92 0.13 0.00 0.41 -2.27 0.00 0.00 179.45 176.80 3i9c n GLY 38 N -0.79 0.76 3.89 5.01 0.00 0.54 -5.07 105.19 109.53 3i9c n GLY 38 Ca -0.02 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3i9c n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9c s ARG 39 N -3.23 3.69 0.35 1.61 1.81 -0.97 -4.99 118.95 117.21 3i9c s ARG 39 Ca 0.00 0.04 0.23 0.00 -1.72 0.00 0.00 55.73 54.28 3i9c s ARG 39 Cb 0.00 -2.80 0.23 0.00 -0.45 0.00 0.00 34.95 31.93 3i9c s ARG 39 CO 0.00 0.43 1.41 -1.49 -0.68 0.00 0.00 175.30 174.97 3i9c h TRP 40 N 2.82 0.00 -3.54 -0.53 4.06 -1.97 -3.43 115.95 113.36 3i9c h TRP 40 Ca -0.46 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 59.90 3i9c h TRP 40 Cb 1.17 0.00 -0.38 0.00 -1.00 0.00 0.00 29.16 28.94 3i9c h TRP 40 CO 0.62 0.00 -0.78 1.03 -3.56 0.00 0.00 178.44 175.75 3i9c s ARG 41 N -3.26 1.41 0.12 0.49 0.52 -1.26 -5.00 118.95 111.96 3i9c s ARG 41 Ca 0.04 -0.84 -0.13 0.00 -0.52 0.00 0.00 55.73 54.29 3i9c s ARG 41 Cb 0.07 -2.46 -0.08 0.00 0.52 0.00 0.00 34.95 33.00 3i9c s ARG 41 CO 0.71 -0.60 1.41 -0.07 0.02 0.00 0.00 175.30 176.78 3i9c h LEU 42 N 8.03 0.91 -9.24 2.53 3.38 -1.94 -3.45 115.31 115.53 3i9c h LEU 42 Ca -0.18 -0.51 -0.61 0.00 0.09 0.00 0.00 57.88 56.68 3i9c h LEU 42 Cb 1.08 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 41.44 3i9c h LEU 42 CO 0.40 1.24 -0.74 -0.89 0.09 0.00 0.00 178.44 178.53 3i9c s THR 43 N -4.22 2.41 0.52 0.22 2.01 -1.26 -4.86 115.64 110.45 3i9c s THR 43 Ca -0.11 -2.37 -0.21 0.00 0.31 0.00 0.00 61.69 59.32 3i9c s THR 43 Cb 0.10 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 3i9c s THR 43 CO 0.87 -0.37 1.14 -2.84 -0.69 0.00 0.00 174.62 172.73 3i9c s PRO 44 N -3.53 3.50 -0.04 4.92 0.02 -1.26 -5.00 135.00 133.60 3i9c s PRO 44 Ca 0.30 1.65 -0.26 0.00 0.02 0.00 0.00 61.00 62.72 3i9c s PRO 44 Cb -0.03 -2.13 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 3i9c s PRO 44 CO 0.15 -0.74 0.81 0.00 -0.33 0.00 0.00 177.00 176.88 3i9c s ALA 45 N -1.71 3.27 -0.30 -1.55 0.00 -1.26 -5.00 121.76 115.22 3i9c s ALA 45 Ca 0.70 0.29 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 3i9c s ALA 45 Cb -0.25 -3.10 0.17 0.00 0.00 0.00 0.00 23.12 19.94 3i9c s ALA 45 CO 0.29 -0.15 1.08 0.08 0.00 0.00 0.00 175.76 177.06 3i9c s VAL 46 N 0.87 -0.28 0.00 0.00 1.01 -1.26 -5.13 120.40 115.60 3i9c s VAL 46 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3i9c s VAL 46 Cb -0.19 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3i9c s VAL 46 CO 0.22 0.00 0.00 0.54 0.00 0.00 0.00 175.10 175.86 3i9c n ARG 47 N 4.53 2.34 0.00 2.72 3.00 -1.26 -4.97 116.66 123.02 3i9c n ARG 47 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 3i9c n ARG 47 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 3i9c n ARG 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3i9c n LYS 48 N -0.23 0.00 0.00 5.56 -0.00 -1.26 -4.96 118.16 117.27 3i9c n LYS 48 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 3i9c n LYS 48 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 3i9c n LYS 48 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29