#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s THR 2 N 0.00 3.02 0.18 9.51 -4.23 -1.26 -5.13 115.64 117.73 2occ s THR 2 Ca 0.00 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 2occ s THR 2 Cb 0.00 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 2occ s THR 2 CO 0.00 0.56 0.23 0.00 -0.54 0.00 0.00 174.62 174.86 2occ s ALA 3 N -0.19 0.42 0.85 3.99 0.00 -1.26 -5.16 121.76 120.41 2occ s ALA 3 Ca 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 2occ s ALA 3 Cb -0.13 1.01 0.10 0.00 0.00 0.00 0.00 23.12 24.10 2occ s ALA 3 CO 0.03 -0.63 1.11 0.15 0.00 0.00 0.00 175.76 176.43 2occ s LYS 4 N -4.03 1.62 0.66 0.00 1.02 -1.26 -5.02 119.74 112.74 2occ s LYS 4 Ca 0.24 0.50 -0.13 0.00 0.02 0.00 0.00 55.97 56.60 2occ s LYS 4 Cb 0.04 -1.88 -0.00 0.00 -0.52 0.00 0.00 37.83 35.48 2occ s LYS 4 CO 0.04 -1.91 1.07 -2.14 -0.92 0.00 0.00 175.35 171.49 2occ s PRO 5 N -5.19 2.95 0.19 -1.68 0.02 -1.26 -4.93 135.00 125.10 2occ s PRO 5 Ca 0.62 1.15 -0.33 0.00 0.02 0.00 0.00 61.00 62.46 2occ s PRO 5 Cb -0.15 -1.98 -0.14 0.00 0.02 0.00 0.00 34.50 32.25 2occ s PRO 5 CO 0.54 -1.10 1.53 0.00 -0.33 0.00 0.00 177.00 177.64 2occ n ALA 6 N -2.68 1.39 0.06 -1.55 0.00 -1.26 -4.88 120.51 111.59 2occ n ALA 6 Ca 0.09 0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 2occ n ALA 6 Cb 0.53 -2.34 0.11 0.00 0.00 0.00 0.00 19.45 17.75 2occ n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2occ h LYS 7 N 5.35 0.35 -2.09 0.00 1.57 -2.05 -3.35 116.57 116.36 2occ h LYS 7 Ca -0.45 -0.23 -0.57 0.00 -1.87 0.00 0.00 60.65 57.53 2occ h LYS 7 Cb 1.26 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.20 2occ h LYS 7 CO 0.84 0.82 -0.97 0.25 -0.57 0.00 0.00 179.45 179.82 2occ n THR 8 N -3.92 0.01 -1.57 -0.16 -2.24 -1.26 -5.12 114.28 100.01 2occ n THR 8 Ca -0.03 -4.26 -0.48 0.00 -2.27 0.00 0.00 64.05 57.01 2occ n THR 8 Cb 0.60 -1.97 -0.04 0.00 -2.10 0.00 0.00 70.33 66.82 2occ n THR 8 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2occ n PRO 9 N 1.39 1.14 -3.30 -0.78 -0.04 -1.26 -4.95 135.00 127.20 2occ n PRO 9 Ca 0.24 0.40 -0.45 0.00 -0.04 0.00 0.00 63.50 63.65 2occ n PRO 9 Cb 0.50 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 2occ n PRO 9 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2occ s THR 10 N -0.36 5.14 0.97 0.52 2.01 -1.26 -5.07 115.64 117.59 2occ s THR 10 Ca 0.71 -1.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 2occ s THR 10 Cb -0.83 -4.27 0.17 0.00 0.01 0.00 0.00 72.50 67.58 2occ s THR 10 CO 0.54 -0.77 1.09 -0.94 -0.69 0.00 0.00 174.62 173.84 2occ s SER 11 N 3.10 2.67 0.22 3.53 1.04 -1.26 -4.69 113.70 118.32 2occ s SER 11 Ca 0.06 1.74 -0.08 0.00 0.48 0.00 0.00 55.95 58.15 2occ s SER 11 Cb -0.26 -2.36 0.36 0.00 0.10 0.00 0.00 66.02 63.87 2occ s SER 11 CO 0.06 -3.18 1.70 -0.65 0.98 0.00 0.00 173.24 172.14 2occ h PRO 12 N -1.92 0.26 0.06 4.02 0.11 -1.99 -0.25 132.00 132.29 2occ h PRO 12 Ca -0.50 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.61 2occ h PRO 12 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2occ h PRO 12 CO 0.49 0.17 -0.16 -0.22 -0.21 0.00 0.00 178.00 178.07 2occ h LYS 13 N 0.27 -0.28 -0.97 1.05 3.64 -1.99 0.31 116.57 118.60 2occ h LYS 13 Ca 0.36 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 2occ h LYS 13 Cb 0.57 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2occ h LYS 13 CO -0.45 -0.19 0.63 0.93 -2.27 0.00 0.00 179.45 178.10 2occ h GLU 14 N -0.30 1.10 -0.35 1.90 5.08 -1.45 -1.08 114.58 119.48 2occ h GLU 14 Ca 0.03 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2occ h GLU 14 Cb 0.33 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2occ h GLU 14 CO -0.11 0.73 0.07 1.96 -1.00 0.00 0.00 179.01 180.65 2occ h GLN 15 N 1.13 0.57 -0.99 2.33 4.20 -0.61 0.03 115.11 121.78 2occ h GLN 15 Ca 0.41 -0.15 0.08 0.00 0.06 0.00 0.00 58.65 59.05 2occ h GLN 15 Cb 0.16 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 2occ h GLN 15 CO -0.16 0.64 0.64 0.00 -0.67 0.00 0.00 178.83 179.28 2occ h ALA 16 N 0.91 1.45 -0.23 3.87 0.00 0.21 0.32 119.26 125.80 2occ h ALA 16 Ca 0.11 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2occ h ALA 16 Cb 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2occ h ALA 16 CO 0.00 0.38 -0.60 0.82 0.00 0.00 0.00 179.25 179.85 2occ h ILE 17 N 1.11 1.29 -0.34 0.00 2.04 -1.01 -2.24 117.51 118.36 2occ h ILE 17 Ca 0.44 -1.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 2occ h ILE 17 Cb 0.25 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2occ h ILE 17 CO -0.19 0.58 0.07 1.23 0.00 0.00 0.00 178.15 179.84 2occ h GLY 18 N 0.80 0.60 0.93 5.37 0.00 0.73 -1.27 103.07 110.23 2occ h GLY 18 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2occ h GLY 18 CO 0.13 0.36 0.13 -2.00 0.00 0.00 0.00 176.54 175.15 2occ h LEU 19 N 0.40 0.54 0.00 3.11 6.46 -0.49 -2.27 115.31 123.05 2occ h LEU 19 Ca 0.11 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.69 2occ h LEU 19 Cb 0.32 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 2occ h LEU 19 CO 0.00 0.59 -0.11 0.28 -0.62 0.00 0.00 178.44 178.58 2occ h SER 20 N 0.46 -0.31 -0.33 1.25 0.02 -1.26 -1.39 113.55 111.99 2occ h SER 20 Ca 0.12 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2occ h SER 20 Cb 0.24 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2occ h SER 20 CO -0.01 -0.16 0.13 0.58 -1.14 0.00 0.00 176.83 176.24 2occ h VAL 21 N -0.19 1.16 0.36 2.27 2.07 -1.22 -1.71 116.25 118.99 2occ h VAL 21 Ca 0.04 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2occ h VAL 21 Cb 0.24 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2occ h VAL 21 CO -0.11 0.20 -0.17 0.74 0.02 0.00 0.00 177.57 178.25 2occ h THR 22 N 0.56 0.63 -0.37 2.57 2.02 -0.76 -1.66 112.91 115.90 2occ h THR 22 Ca 0.14 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 66.93 2occ h THR 22 Cb 0.15 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 2occ h THR 22 CO -0.01 0.08 0.03 -0.26 0.37 0.00 0.00 175.52 175.73 2occ h PHE 23 N -0.74 0.04 -0.92 3.16 -1.00 -1.20 -2.41 116.94 113.86 2occ h PHE 23 Ca -0.05 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2occ h PHE 23 Cb 0.51 0.04 -0.05 0.00 3.61 0.00 0.00 35.95 40.06 2occ h PHE 23 CO 0.01 -0.04 0.58 -0.07 -1.61 0.00 0.00 178.31 177.18 2occ h LEU 24 N 0.14 1.08 -2.06 1.54 4.07 -1.28 0.90 115.31 119.70 2occ h LEU 24 Ca 0.18 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2occ h LEU 24 Cb 0.24 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 2occ h LEU 24 CO -0.28 0.81 -0.07 0.77 -1.08 0.00 0.00 178.44 178.59 2occ h SER 25 N 1.26 0.00 0.04 -0.43 4.64 -0.79 -1.92 113.55 116.34 2occ h SER 25 Ca 0.33 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.42 2occ h SER 25 Cb -0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2occ h SER 25 CO -0.07 0.07 -1.23 -0.26 -0.87 0.00 0.00 176.83 174.47 2occ h PHE 26 N 0.00 0.16 0.01 4.77 -1.00 -0.98 -3.42 116.94 116.48 2occ h PHE 26 Ca -0.00 -0.12 -0.26 0.00 2.81 0.00 0.00 57.97 60.40 2occ h PHE 26 Cb 0.30 -0.01 0.02 0.00 3.61 0.00 0.00 35.95 39.87 2occ h PHE 26 CO 0.00 1.48 -1.04 -0.07 -1.61 0.00 0.00 178.31 177.07 2occ h LEU 27 N -0.72 0.84 0.52 1.54 3.38 -0.76 -3.35 115.31 116.77 2occ h LEU 27 Ca -0.31 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 56.96 2occ h LEU 27 Cb 1.46 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.95 2occ h LEU 27 CO -0.09 1.48 -0.25 -0.07 0.09 0.00 0.00 178.44 179.60 2occ h LEU 28 N 0.36 -0.59 -0.69 1.67 3.38 -1.59 -1.10 115.31 116.75 2occ h LEU 28 Ca -0.12 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.90 2occ h LEU 28 Cb 1.69 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.53 2occ h LEU 28 CO 0.20 -0.37 0.37 -0.65 0.09 0.00 0.00 178.44 178.08 2occ h PRO 29 N -0.78 0.65 -0.45 1.13 0.11 -1.80 -1.29 132.00 129.58 2occ h PRO 29 Ca -0.07 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.92 2occ h PRO 29 Cb 0.57 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2occ h PRO 29 CO 0.12 0.43 -0.04 0.00 -0.21 0.00 0.00 178.00 178.30 2occ h ALA 30 N 1.37 0.61 -0.94 -0.75 0.00 -1.69 -2.73 119.26 115.13 2occ h ALA 30 Ca 0.32 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2occ h ALA 30 Cb 0.24 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2occ h ALA 30 CO -0.21 0.44 0.62 0.78 0.00 0.00 0.00 179.25 180.88 2occ h GLY 31 N 0.66 1.32 0.98 0.00 0.00 -0.78 -0.65 103.07 104.61 2occ h GLY 31 Ca 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2occ h GLY 31 CO 0.03 0.49 -0.15 -0.25 0.00 0.00 0.00 176.54 176.66 2occ h TRP 32 N 1.28 -0.40 -0.17 5.60 7.01 -1.06 0.22 115.95 128.43 2occ h TRP 32 Ca 0.34 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.34 2occ h TRP 32 Cb -0.14 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2occ h TRP 32 CO 0.00 -0.23 0.10 0.28 -2.79 0.00 0.00 178.44 175.79 2occ h VAL 33 N -0.45 1.02 -0.39 2.65 2.07 -1.24 -2.48 116.25 117.43 2occ h VAL 33 Ca -0.04 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2occ h VAL 33 Cb 0.34 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2occ h VAL 33 CO 0.07 0.04 0.08 -0.07 0.02 0.00 0.00 177.57 177.71 2occ h LEU 34 N 0.20 0.53 -0.72 2.57 3.38 -1.00 -2.28 115.31 118.00 2occ h LEU 34 Ca 0.06 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2occ h LEU 34 Cb -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2occ h LEU 34 CO -0.03 0.55 0.23 0.22 0.09 0.00 0.00 178.44 179.50 2occ h TYR 35 N 0.56 1.14 -0.44 1.13 3.20 -0.29 -2.46 116.97 119.82 2occ h TYR 35 Ca 0.13 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2occ h TYR 35 Cb 0.24 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2occ h TYR 35 CO 0.01 0.91 0.06 0.72 -1.64 0.00 0.00 178.16 178.21 2occ n HIS 36 N -4.29 1.54 0.29 -3.82 8.25 -0.90 -4.59 115.22 111.68 2occ n HIS 36 Ca 0.05 -0.62 -0.15 0.00 -0.26 0.00 0.00 57.72 56.74 2occ n HIS 36 Cb 0.22 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 2occ n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2occ h LEU 37 N 2.55 -1.10 -1.67 2.41 3.38 -0.94 -1.83 115.31 118.12 2occ h LEU 37 Ca 0.05 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.27 2occ h LEU 37 Cb 1.63 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 42.68 2occ h LEU 37 CO 0.40 -0.58 0.50 -2.24 0.09 0.00 0.00 178.44 176.61 2occ h ASP 38 N -0.90 0.30 0.35 -0.43 3.04 -1.82 0.73 116.42 117.68 2occ h ASP 38 Ca -0.07 0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 53.73 2occ h ASP 38 Cb 0.75 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 39.00 2occ h ASP 38 CO 0.00 0.15 -0.07 -1.13 -2.04 0.00 0.00 179.24 176.15 2occ h ASN 39 N 0.31 0.00 0.12 4.15 -1.24 -1.65 -2.43 115.58 114.85 2occ h ASN 39 Ca 0.37 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 57.01 2occ h ASN 39 Cb 0.98 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.99 2occ h ASN 39 CO -0.10 0.07 -2.15 -1.22 -1.29 0.00 0.00 177.43 172.74 2occ n TYR 40 N -3.48 0.73 0.13 0.67 4.01 0.18 -4.45 117.16 114.95 2occ n TYR 40 Ca -0.02 0.17 0.04 0.00 -0.16 0.00 0.00 57.90 57.94 2occ n TYR 40 Cb 0.20 -1.10 0.47 0.00 -0.31 0.00 0.00 39.34 38.60 2occ n TYR 40 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2occ h LYS 41 N 0.03 0.23 0.00 -0.72 1.57 -1.00 -2.22 116.57 114.47 2occ h LYS 41 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2occ h LYS 41 Cb 2.01 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.27 2occ h LYS 41 CO 0.03 0.26 0.00 1.63 -0.57 0.00 0.00 179.45 180.80 2occ n LYS 42 N -4.40 0.89 -0.88 3.15 4.76 -0.95 -5.10 118.16 115.63 2occ n LYS 42 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2occ n LYS 42 Cb 0.17 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2occ n LYS 42 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46