#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ s THR 2 N 0.00 3.50 0.07 9.51 -4.23 -1.26 -5.14 115.64 118.09 1occ s THR 2 Ca 0.00 -1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 58.65 1occ s THR 2 Cb 0.00 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1occ s THR 2 CO 0.00 -0.26 0.30 0.00 -0.54 0.00 0.00 174.62 174.11 1occ s ALA 3 N -2.06 -0.63 0.66 3.99 0.00 -1.26 -5.16 121.76 117.31 1occ s ALA 3 Ca 0.29 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 1occ s ALA 3 Cb -0.08 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1occ s ALA 3 CO 0.19 -0.48 1.06 0.15 0.00 0.00 0.00 175.76 176.68 1occ s LYS 4 N -3.09 3.08 0.87 0.00 1.02 -1.26 -5.01 119.74 115.35 1occ s LYS 4 Ca -0.01 1.03 -0.10 0.00 0.02 0.00 0.00 55.97 56.90 1occ s LYS 4 Cb 0.01 -2.01 0.11 0.00 -0.52 0.00 0.00 37.83 35.43 1occ s LYS 4 CO -0.07 -0.99 1.12 -1.25 -0.92 0.00 0.00 175.35 173.24 1occ s PRO 5 N -4.74 1.45 0.22 -1.68 0.04 -1.26 -4.86 135.00 124.16 1occ s PRO 5 Ca 0.60 1.38 -0.32 0.00 0.04 0.00 0.00 61.00 62.70 1occ s PRO 5 Cb -0.14 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 1occ s PRO 5 CO 0.49 -2.28 1.47 0.00 0.04 0.00 0.00 177.00 176.72 1occ n ALA 6 N -3.98 1.27 0.01 8.56 0.00 -1.26 -4.86 120.51 120.26 1occ n ALA 6 Ca 0.11 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.90 1occ n ALA 6 Cb 0.52 -2.31 0.11 0.00 0.00 0.00 0.00 19.45 17.78 1occ n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1occ h LYS 7 N 4.71 0.50 -2.05 0.00 1.57 -2.05 -3.36 116.57 115.89 1occ h LYS 7 Ca -0.45 -0.27 -0.56 0.00 -1.87 0.00 0.00 60.65 57.50 1occ h LYS 7 Cb 1.27 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.19 1occ h LYS 7 CO 0.79 0.85 -0.99 0.25 -0.57 0.00 0.00 179.45 179.78 1occ n THR 8 N -4.00 0.17 -1.32 -0.16 -2.24 -1.26 -5.13 114.28 100.34 1occ n THR 8 Ca -0.02 -4.40 -0.42 0.00 -2.27 0.00 0.00 64.05 56.94 1occ n THR 8 Cb 0.54 -1.77 -0.00 0.00 -2.10 0.00 0.00 70.33 66.99 1occ n THR 8 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1occ n PRO 9 N 1.09 0.06 -3.75 -0.78 -0.04 -1.26 -4.95 135.00 125.38 1occ n PRO 9 Ca 0.24 0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.35 1occ n PRO 9 Cb 0.51 -1.06 -0.11 0.00 -0.04 0.00 0.00 33.50 32.80 1occ n PRO 9 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1occ s THR 10 N -1.63 3.41 0.84 0.52 2.01 -1.26 -5.09 115.64 114.45 1occ s THR 10 Ca 0.60 -1.99 -0.11 0.00 0.31 0.00 0.00 61.69 60.49 1occ s THR 10 Cb -0.65 -3.31 0.10 0.00 0.01 0.00 0.00 72.50 68.66 1occ s THR 10 CO 0.62 -0.68 1.16 -0.94 -0.69 0.00 0.00 174.62 174.08 1occ s SER 11 N 1.92 3.50 0.20 3.53 1.04 -1.26 -4.64 113.70 117.99 1occ s SER 11 Ca 0.07 2.18 -0.15 0.00 0.48 0.00 0.00 55.95 58.53 1occ s SER 11 Cb -0.23 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.52 1occ s SER 11 CO -0.04 -2.72 1.62 -0.65 0.98 0.00 0.00 173.24 172.44 1occ h PRO 12 N -1.34 -0.04 -0.33 4.02 0.11 -1.98 0.17 132.00 132.61 1occ h PRO 12 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1occ h PRO 12 Cb 1.27 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1occ h PRO 12 CO 0.45 -0.03 -0.21 0.87 -0.21 0.00 0.00 178.00 178.87 1occ h LYS 13 N -0.04 -0.16 -0.92 1.05 6.56 -1.99 0.46 116.57 121.53 1occ h LYS 13 Ca 0.28 0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.99 1occ h LYS 13 Cb 0.47 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.09 1occ h LYS 13 CO -0.63 -0.11 0.55 0.93 -2.06 0.00 0.00 179.45 178.13 1occ h GLU 14 N -0.17 0.85 0.05 3.15 5.08 -1.10 -0.42 114.58 122.03 1occ h GLU 14 Ca 0.17 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1occ h GLU 14 Cb 0.43 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1occ h GLU 14 CO -0.43 0.56 -0.03 1.96 -1.00 0.00 0.00 179.01 180.08 1occ h GLN 15 N 0.88 -0.07 -0.89 2.33 4.20 0.10 -1.82 115.11 119.84 1occ h GLN 15 Ca 0.45 0.00 0.22 0.00 0.06 0.00 0.00 58.65 59.39 1occ h GLN 15 Cb 0.45 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 1occ h GLN 15 CO -0.27 0.22 0.60 0.00 -0.67 0.00 0.00 178.83 178.72 1occ h ALA 16 N 0.57 2.40 0.16 3.87 0.00 0.86 0.32 119.26 127.44 1occ h ALA 16 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1occ h ALA 16 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1occ h ALA 16 CO 0.01 -0.68 -0.08 0.82 0.00 0.00 0.00 179.25 179.33 1occ h ILE 17 N 0.27 0.89 -0.37 0.00 2.04 -0.83 -2.04 117.51 117.47 1occ h ILE 17 Ca 0.45 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1occ h ILE 17 Cb 1.33 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1occ h ILE 17 CO -0.13 0.22 0.24 1.23 0.00 0.00 0.00 178.15 179.71 1occ h GLY 18 N -0.83 0.52 0.60 5.37 0.00 -0.29 -0.66 103.07 107.78 1occ h GLY 18 Ca -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1occ h GLY 18 CO 0.04 0.19 -0.08 -2.00 0.00 0.00 0.00 176.54 174.68 1occ h LEU 19 N 0.50 0.18 0.00 3.11 6.46 -0.46 -1.55 115.31 123.55 1occ h LEU 19 Ca 0.13 -0.51 0.02 0.00 -0.12 0.00 0.00 57.88 57.40 1occ h LEU 19 Cb -0.05 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1occ h LEU 19 CO -0.03 0.66 -0.13 0.28 -0.62 0.00 0.00 178.44 178.60 1occ h SER 20 N -0.29 -0.39 -0.16 1.25 0.02 -1.01 -1.51 113.55 111.47 1occ h SER 20 Ca 0.01 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1occ h SER 20 Cb 0.62 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1occ h SER 20 CO 0.02 -0.19 -0.09 0.58 -1.14 0.00 0.00 176.83 176.01 1occ h VAL 21 N -0.23 0.73 -0.89 2.27 2.07 -1.18 -0.26 116.25 118.76 1occ h VAL 21 Ca 0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1occ h VAL 21 Cb 0.29 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 1occ h VAL 21 CO -0.13 0.00 0.52 0.74 0.02 0.00 0.00 177.57 178.72 1occ h THR 22 N -0.08 0.86 0.10 2.57 2.02 -1.05 -1.02 112.91 116.31 1occ h THR 22 Ca 0.09 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1occ h THR 22 Cb 0.21 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1occ h THR 22 CO -0.21 0.15 -0.05 -0.26 0.37 0.00 0.00 175.52 175.52 1occ h PHE 23 N 0.81 -0.13 -0.49 3.16 -1.00 -0.49 -3.18 116.94 115.62 1occ h PHE 23 Ca 0.45 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.29 1occ h PHE 23 Cb 0.49 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.03 1occ h PHE 23 CO -0.05 0.23 0.16 -0.07 -1.61 0.00 0.00 178.31 176.98 1occ h LEU 24 N -0.51 0.16 -2.09 1.54 4.07 -0.60 0.04 115.31 117.91 1occ h LEU 24 Ca -0.01 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.10 1occ h LEU 24 Cb 0.42 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1occ h LEU 24 CO 0.02 0.12 0.32 0.77 -1.08 0.00 0.00 178.44 178.59 1occ h SER 25 N 0.33 0.00 0.00 -0.43 4.64 -1.19 0.93 113.55 117.83 1occ h SER 25 Ca 0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1occ h SER 25 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1occ h SER 25 CO -0.25 0.00 -0.98 -0.26 -0.87 0.00 0.00 176.83 174.47 1occ h PHE 26 N 0.00 0.00 -0.24 4.77 -1.00 -1.18 -3.42 116.94 115.88 1occ h PHE 26 Ca 0.15 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.81 1occ h PHE 26 Cb 0.78 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 1occ h PHE 26 CO 0.00 1.18 -0.38 -0.07 -1.61 0.00 0.00 178.31 177.43 1occ h LEU 27 N -1.00 0.56 0.19 1.54 3.38 -0.43 -3.34 115.31 116.21 1occ h LEU 27 Ca -0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1occ h LEU 27 Cb 1.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1occ h LEU 27 CO -0.15 0.89 -0.09 -0.07 0.09 0.00 0.00 178.44 179.10 1occ h LEU 28 N 0.45 -0.22 -0.68 1.67 3.38 -1.07 0.20 115.31 119.03 1occ h LEU 28 Ca 0.04 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1occ h LEU 28 Cb 0.86 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1occ h LEU 28 CO 0.07 -0.14 -0.20 -0.65 0.09 0.00 0.00 178.44 177.61 1occ h PRO 29 N -0.30 -0.03 -0.18 1.13 0.11 -1.80 0.25 132.00 131.18 1occ h PRO 29 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1occ h PRO 29 Cb 0.20 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1occ h PRO 29 CO 0.04 -0.02 0.10 0.00 -0.21 0.00 0.00 178.00 177.92 1occ h ALA 30 N 1.58 0.23 -0.67 -0.75 0.00 -1.68 -2.07 119.26 115.89 1occ h ALA 30 Ca 0.32 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1occ h ALA 30 Cb 0.52 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1occ h ALA 30 CO -0.72 -0.25 0.33 0.78 0.00 0.00 0.00 179.25 179.40 1occ h GLY 31 N 0.20 0.99 0.96 0.00 0.00 0.14 0.64 103.07 106.01 1occ h GLY 31 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1occ h GLY 31 CO -0.01 0.07 -0.40 -0.25 0.00 0.00 0.00 176.54 175.95 1occ h TRP 32 N 0.59 -1.04 -0.59 5.60 7.01 -0.29 0.48 115.95 127.70 1occ h TRP 32 Ca 0.32 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.40 1occ h TRP 32 Cb 0.31 0.35 -0.08 0.00 -2.10 0.00 0.00 29.16 27.65 1occ h TRP 32 CO -0.11 -0.63 0.18 0.28 -2.79 0.00 0.00 178.44 175.37 1occ h VAL 33 N -1.08 0.71 -0.30 2.65 2.07 -1.09 -0.73 116.25 118.49 1occ h VAL 33 Ca -0.10 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1occ h VAL 33 Cb 0.84 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1occ h VAL 33 CO 0.16 0.06 -0.12 -0.07 0.02 0.00 0.00 177.57 177.62 1occ h LEU 34 N 0.33 0.49 -1.40 2.57 3.38 -0.60 -2.68 115.31 117.40 1occ h LEU 34 Ca 0.31 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1occ h LEU 34 Cb 0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1occ h LEU 34 CO -0.35 0.64 -0.08 0.22 0.09 0.00 0.00 178.44 178.96 1occ h TYR 35 N 0.47 0.30 -0.73 1.13 3.20 0.15 -2.80 116.97 118.68 1occ h TYR 35 Ca 0.09 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1occ h TYR 35 Cb 0.49 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1occ h TYR 35 CO 0.02 0.38 0.00 0.72 -1.64 0.00 0.00 178.16 177.64 1occ n HIS 36 N -4.30 1.12 -0.29 -3.82 8.25 -0.86 -4.68 115.22 110.64 1occ n HIS 36 Ca -0.00 -0.52 -0.04 0.00 -0.26 0.00 0.00 57.72 56.89 1occ n HIS 36 Cb 0.25 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.30 1occ n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1occ h LEU 37 N 4.32 -1.40 -0.97 2.41 3.38 -1.28 -0.48 115.31 121.29 1occ h LEU 37 Ca 0.00 0.27 0.17 0.00 0.09 0.00 0.00 57.88 58.42 1occ h LEU 37 Cb 1.11 0.70 -0.10 0.00 0.09 0.00 0.00 40.66 42.46 1occ h LEU 37 CO 0.06 -0.30 0.57 -0.78 0.09 0.00 0.00 178.44 178.08 1occ h ASP 38 N -0.09 0.74 -0.49 -0.43 3.58 -1.85 0.85 116.42 118.73 1occ h ASP 38 Ca 0.27 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 1occ h ASP 38 Cb 0.57 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 1occ h ASP 38 CO -0.83 0.29 0.28 0.78 -2.88 0.00 0.00 179.24 176.87 1occ h ASN 39 N 0.76 0.63 -0.08 2.28 -0.26 -1.44 -1.25 115.58 116.21 1occ h ASN 39 Ca 0.54 -0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 56.15 1occ h ASN 39 Cb 0.80 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1occ h ASN 39 CO -0.37 0.51 -0.29 1.88 -1.06 0.00 0.00 177.43 178.11 1occ h TYR 40 N 0.71 0.43 0.00 1.19 0.05 -0.73 -1.88 116.97 116.75 1occ h TYR 40 Ca 0.18 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1occ h TYR 40 Cb 0.03 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1occ h TYR 40 CO 0.00 0.90 0.00 1.63 -1.05 0.00 0.00 178.16 179.65 1occ n LYS 41 N -4.45 0.02 0.00 4.88 5.02 -0.45 -1.31 118.16 121.86 1occ n LYS 41 Ca -0.08 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1occ n LYS 41 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1occ n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1occ n LYS 42 N -1.47 1.13 -0.85 1.97 4.81 -0.53 -5.06 118.16 118.15 1occ n LYS 42 Ca 0.02 -1.02 0.00 0.00 -0.87 0.00 0.00 58.31 56.44 1occ n LYS 42 Cb 0.08 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.15 1occ n LYS 42 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02