#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s PRO 7 N 0.00 4.46 0.50 0.00 0.04 -1.26 -5.05 135.00 133.69 1ocr s PRO 7 Ca 0.00 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.86 1ocr s PRO 7 Cb 0.00 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1ocr s PRO 7 CO 0.00 -0.19 0.69 0.16 0.04 0.00 0.00 177.00 177.70 1ocr s ASP 8 N 0.77 5.40 0.29 6.66 1.47 -1.26 -4.92 116.67 125.09 1ocr s ASP 8 Ca 0.57 -0.27 0.01 0.00 1.18 0.00 0.00 52.55 54.04 1ocr s ASP 8 Cb -0.30 -0.67 0.70 0.00 -0.34 0.00 0.00 42.92 42.31 1ocr s ASP 8 CO 0.31 -1.01 1.62 0.15 0.68 0.00 0.00 175.17 176.92 1ocr h PHE 9 N 0.32 0.17 -0.57 2.11 3.04 -1.99 0.24 116.94 120.26 1ocr h PHE 9 Ca -0.40 0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.53 1ocr h PHE 9 Cb 1.29 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 1ocr h PHE 9 CO 0.36 -0.30 0.06 0.45 -2.02 0.00 0.00 178.31 176.86 1ocr h HIS 10 N 0.12 1.00 -0.68 0.41 -0.00 -1.95 0.20 115.15 114.25 1ocr h HIS 10 Ca 0.55 -0.14 -0.07 0.00 -0.00 0.00 0.00 60.37 60.71 1ocr h HIS 10 Cb 1.12 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 1ocr h HIS 10 CO -0.36 0.87 0.14 -0.44 -0.00 0.00 0.00 177.93 178.14 1ocr h ASP 11 N 0.88 1.04 0.03 2.45 3.32 -0.96 -1.43 116.42 121.75 1ocr h ASP 11 Ca 0.17 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1ocr h ASP 11 Cb 0.44 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1ocr h ASP 11 CO 0.02 1.02 -0.01 0.11 -1.72 0.00 0.00 179.24 178.65 1ocr h LYS 12 N 1.03 -0.03 0.00 3.56 1.57 -0.74 -3.41 116.57 118.54 1ocr h LYS 12 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1ocr h LYS 12 Cb 0.40 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ocr h LYS 12 CO 0.01 -0.02 -0.74 1.88 -0.57 0.00 0.00 179.45 180.01 1ocr h TYR 13 N -0.14 0.00 -0.97 -1.35 0.05 -0.75 -3.41 116.97 110.39 1ocr h TYR 13 Ca -0.00 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.92 1ocr h TYR 13 Cb 0.03 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.62 1ocr h TYR 13 CO 0.04 0.00 -0.41 0.41 -1.05 0.00 0.00 178.16 177.15 1ocr n GLY 14 N 1.33 -2.08 0.26 3.88 0.00 -0.54 -0.34 105.19 107.71 1ocr n GLY 14 Ca 0.03 1.10 0.01 0.00 0.00 0.00 0.00 46.02 47.16 1ocr n GLY 14 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ocr h ASN 15 N 0.00 0.41 0.26 1.61 2.35 -1.79 -0.88 115.58 117.53 1ocr h ASN 15 Ca 0.31 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1ocr h ASN 15 Cb 0.56 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1ocr h ASN 15 CO -0.96 0.49 -0.12 0.00 -1.65 0.00 0.00 177.43 175.19 1ocr h ALA 16 N 1.56 -0.35 -0.37 -0.83 0.00 -0.96 -2.59 119.26 115.72 1ocr h ALA 16 Ca 0.09 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ocr h ALA 16 Cb 0.32 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1ocr h ALA 16 CO 0.01 -0.45 -0.27 0.28 0.00 0.00 0.00 179.25 178.82 1ocr h VAL 17 N -0.83 0.32 -0.15 0.00 2.07 -0.92 0.14 116.25 116.87 1ocr h VAL 17 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1ocr h VAL 17 Cb 0.51 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1ocr h VAL 17 CO 0.06 0.00 -0.43 0.25 0.02 0.00 0.00 177.57 177.47 1ocr h LEU 18 N -0.21 -1.35 0.25 2.57 5.85 -1.18 -0.05 115.31 121.19 1ocr h LEU 18 Ca 0.18 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1ocr h LEU 18 Cb 0.49 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ocr h LEU 18 CO -0.50 -0.43 -0.12 0.00 -0.34 0.00 0.00 178.44 177.06 1ocr h ALA 19 N 0.11 -0.33 -0.88 1.25 0.00 -1.00 -0.60 119.26 117.80 1ocr h ALA 19 Ca 0.08 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ocr h ALA 19 Cb 0.63 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1ocr h ALA 19 CO -0.41 -0.47 0.57 0.66 0.00 0.00 0.00 179.25 179.60 1ocr h SER 20 N -0.77 0.94 -0.03 0.00 4.64 -0.95 1.00 113.55 118.38 1ocr h SER 20 Ca -0.03 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ocr h SER 20 Cb 0.50 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1ocr h SER 20 CO 0.06 0.64 0.01 1.23 -0.87 0.00 0.00 176.83 177.90 1ocr h GLY 21 N 1.10 0.05 0.73 -0.77 0.00 -1.03 -0.20 103.07 102.95 1ocr h GLY 21 Ca 0.36 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1ocr h GLY 21 CO -0.12 0.03 0.62 0.00 0.00 0.00 0.00 176.54 177.06 1ocr h ALA 22 N 0.85 1.34 0.20 3.60 0.00 -0.51 -1.37 119.26 123.37 1ocr h ALA 22 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ocr h ALA 22 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ocr h ALA 22 CO -0.00 0.40 -0.09 1.15 0.00 0.00 0.00 179.25 180.70 1ocr h THR 23 N 1.12 0.90 -0.57 0.00 2.02 -0.55 -2.88 112.91 112.96 1ocr h THR 23 Ca 0.42 -0.65 0.10 0.00 0.77 0.00 0.00 66.41 67.06 1ocr h THR 23 Cb 0.17 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.78 1ocr h THR 23 CO -0.17 0.14 0.10 0.15 0.37 0.00 0.00 175.52 176.11 1ocr h PHE 24 N -0.59 0.15 0.36 3.16 3.57 -0.63 -2.48 116.94 120.49 1ocr h PHE 24 Ca -0.03 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ocr h PHE 24 Cb 0.44 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1ocr h PHE 24 CO 0.03 -0.04 -0.49 0.00 -2.23 0.00 0.00 178.31 175.58 1ocr h VAL 26 N -0.89 0.78 0.67 0.00 2.07 -1.27 -2.09 116.25 115.52 1ocr h VAL 26 Ca -0.04 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1ocr h VAL 26 Cb 0.81 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ocr h VAL 26 CO -0.13 0.15 -0.32 0.00 0.02 0.00 0.00 177.57 177.29 1ocr h ALA 27 N 1.60 -0.90 -0.87 1.67 0.00 -1.11 -1.42 119.26 118.24 1ocr h ALA 27 Ca 0.54 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.38 1ocr h ALA 27 Cb 0.73 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1ocr h ALA 27 CO -0.34 -0.83 0.56 0.28 0.00 0.00 0.00 179.25 178.92 1ocr h VAL 28 N -1.24 0.86 -0.06 0.00 2.07 -1.28 0.08 116.25 116.69 1ocr h VAL 28 Ca -0.09 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1ocr h VAL 28 Cb 0.69 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1ocr h VAL 28 CO 0.15 0.13 -0.02 -0.50 0.02 0.00 0.00 177.57 177.35 1ocr h TRP 29 N 0.70 0.13 -0.79 1.57 4.06 -1.38 -0.10 115.95 120.14 1ocr h TRP 29 Ca 0.43 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.35 1ocr h TRP 29 Cb 0.66 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.75 1ocr h TRP 29 CO -0.00 0.48 0.49 0.28 -3.56 0.00 0.00 178.44 176.13 1ocr h VAL 30 N -0.26 1.22 0.77 1.49 2.07 -0.69 0.15 116.25 121.00 1ocr h VAL 30 Ca 0.01 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1ocr h VAL 30 Cb 0.44 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ocr h VAL 30 CO 0.01 0.22 -0.37 0.22 0.02 0.00 0.00 177.57 177.67 1ocr h TYR 31 N 1.08 -0.96 -0.96 1.57 3.20 -0.94 -2.31 116.97 117.65 1ocr h TYR 31 Ca 0.28 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.30 1ocr h TYR 31 Cb -0.07 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.42 1ocr h TYR 31 CO -0.01 -0.58 0.57 1.98 -1.64 0.00 0.00 178.16 178.47 1ocr h MET 32 N -1.10 0.74 0.00 1.82 4.05 -0.52 0.44 114.93 120.35 1ocr h MET 32 Ca -0.11 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1ocr h MET 32 Cb 0.81 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1ocr h MET 32 CO 0.17 0.49 0.00 0.00 0.23 0.00 0.00 176.91 177.80 1ocr h ALA 33 N 1.61 1.00 0.00 0.39 0.00 -0.53 -3.36 119.26 118.37 1ocr h ALA 33 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1ocr h ALA 33 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ocr h ALA 33 CO -0.36 0.00 -0.52 0.25 0.00 0.00 0.00 179.25 178.62 1ocr n THR 34 N -2.48 0.00 0.07 0.00 -2.24 -0.13 -4.87 114.28 104.63 1ocr n THR 34 Ca 0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1ocr n THR 34 Cb 0.32 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 1ocr n THR 34 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1ocr h GLN 35 N 0.00 0.00 -6.84 -0.78 1.08 -0.39 -3.46 115.11 104.72 1ocr h GLN 35 Ca 0.00 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.76 1ocr h GLN 35 Cb 0.51 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.99 1ocr h GLN 35 CO 0.00 0.60 -0.03 0.96 -0.95 0.00 0.00 178.83 179.41 1ocr s ILE 36 N -2.83 2.56 -0.12 2.54 -4.36 -1.26 -5.00 121.20 112.73 1ocr s ILE 36 Ca 0.01 -0.70 -0.04 0.00 -0.26 0.00 0.00 60.65 59.66 1ocr s ILE 36 Cb 0.09 -2.86 -0.09 0.00 1.25 0.00 0.00 42.46 40.85 1ocr s ILE 36 CO 0.79 0.00 2.89 0.61 0.24 0.00 0.00 174.94 179.47 1ocr n GLY 37 N -2.39 3.26 3.72 6.27 0.00 -1.26 -4.93 105.19 109.86 1ocr n GLY 37 Ca 0.10 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1ocr n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ocr s ILE 38 N -0.24 3.80 -0.42 -0.61 1.01 -1.26 -4.97 121.20 118.52 1ocr s ILE 38 Ca 0.45 1.33 -0.16 0.00 0.00 0.00 0.00 60.65 62.27 1ocr s ILE 38 Cb 0.25 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.89 1ocr s ILE 38 CO -0.04 0.12 0.38 -1.61 0.00 0.00 0.00 174.94 173.79 1ocr s GLU 39 N 0.86 3.03 0.24 2.79 0.41 -1.26 -4.89 118.70 119.88 1ocr s GLU 39 Ca 0.59 -0.91 0.23 0.00 -0.41 0.00 0.00 54.97 54.47 1ocr s GLU 39 Cb -0.32 -3.99 0.25 0.00 -1.78 0.00 0.00 34.13 28.30 1ocr s GLU 39 CO 0.31 -0.82 1.32 -1.49 -0.49 0.00 0.00 175.26 174.09 1ocr h TRP 40 N 8.69 0.00 -6.84 1.61 4.06 -1.96 -3.48 115.95 118.02 1ocr h TRP 40 Ca -0.27 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.14 1ocr h TRP 40 Cb 1.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1ocr h TRP 40 CO 0.59 0.00 -1.05 -1.71 -3.56 0.00 0.00 178.44 172.71 1ocr n ASN 41 N -2.59 -4.49 -4.38 -3.49 5.15 -1.26 -4.96 115.26 99.24 1ocr n ASN 41 Ca 0.02 -1.14 -0.29 0.00 -0.60 0.00 0.00 54.58 52.57 1ocr n ASN 41 Cb 0.50 -1.69 0.20 0.00 -0.53 0.00 0.00 39.78 38.26 1ocr n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ocr s PRO 42 N -6.26 -0.13 0.16 1.20 0.04 -1.26 -4.94 135.00 123.80 1ocr s PRO 42 Ca 0.26 0.26 -0.33 0.00 0.04 0.00 0.00 61.00 61.23 1ocr s PRO 42 Cb -0.14 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.58 1ocr s PRO 42 CO 0.94 -3.05 1.71 0.45 0.04 0.00 0.00 177.00 177.08 1ocr n SER 43 N -4.35 3.69 0.24 6.66 2.88 -1.26 -4.86 113.62 116.62 1ocr n SER 43 Ca 0.08 1.05 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 1ocr n SER 43 Cb 0.58 -1.51 0.47 0.00 -0.75 0.00 0.00 64.21 63.00 1ocr n SER 43 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1ocr h PRO 44 N 6.99 0.00 -6.33 -1.46 0.13 -1.97 -3.43 132.00 125.93 1ocr h PRO 44 Ca -0.45 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 1ocr h PRO 44 Cb 1.23 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.38 1ocr h PRO 44 CO 0.93 0.10 1.17 1.55 -0.23 0.00 0.00 178.00 181.53 1ocr n VAL 45 N -3.20 0.67 0.00 1.56 3.14 -1.26 -1.02 118.33 118.22 1ocr n VAL 45 Ca 0.01 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1ocr n VAL 45 Cb 0.42 -2.12 0.00 0.00 -1.06 0.00 0.00 33.84 31.07 1ocr n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ocr n GLY 46 N 4.47 2.47 0.37 7.55 0.00 -1.26 -4.82 105.19 113.98 1ocr n GLY 46 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1ocr n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ocr n ARG 47 N -2.00 0.35 -3.51 1.61 0.63 -0.19 -5.02 116.66 108.53 1ocr n ARG 47 Ca 0.00 0.13 -0.38 0.00 -0.92 0.00 0.00 57.85 56.68 1ocr n ARG 47 Cb 0.00 -1.14 -0.06 0.00 0.45 0.00 0.00 32.46 31.71 1ocr n ARG 47 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1ocr s VAL 48 N -2.29 5.05 -0.33 5.15 1.01 -0.65 -5.06 120.40 123.27 1ocr s VAL 48 Ca -0.22 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 1ocr s VAL 48 Cb 0.07 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1ocr s VAL 48 CO 0.30 0.58 0.26 0.42 0.00 0.00 0.00 175.10 176.66 1ocr s THR 49 N -1.05 5.26 0.11 3.92 -4.23 -1.26 -4.89 115.64 113.50 1ocr s THR 49 Ca 0.23 -0.11 -0.35 0.00 -1.18 0.00 0.00 61.69 60.28 1ocr s THR 49 Cb -0.16 -3.72 -0.15 0.00 1.34 0.00 0.00 72.50 69.81 1ocr s THR 49 CO 0.13 0.00 1.53 -2.65 -0.54 0.00 0.00 174.62 173.09 1ocr n PRO 50 N 5.16 1.81 -4.92 3.99 -0.02 -1.26 -5.01 135.00 134.74 1ocr n PRO 50 Ca -0.12 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 1ocr n PRO 50 Cb 0.50 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 1ocr n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ocr s LYS 51 N 1.07 3.02 0.15 -0.52 2.20 -1.26 -5.09 119.74 119.30 1ocr s LYS 51 Ca 0.82 -0.74 -0.34 0.00 -0.36 0.00 0.00 55.97 55.35 1ocr s LYS 51 Cb -0.78 -2.47 -0.16 0.00 -1.51 0.00 0.00 37.83 32.92 1ocr s LYS 51 CO 0.42 0.33 1.31 0.39 -0.36 0.00 0.00 175.35 177.45 1ocr n GLU 52 N 3.15 1.38 -0.00 4.03 -0.58 -1.26 -4.91 120.64 122.44 1ocr n GLU 52 Ca -0.18 0.49 0.09 0.00 -0.42 0.00 0.00 57.16 57.15 1ocr n GLU 52 Cb 0.52 -2.10 -0.11 0.00 -0.57 0.00 0.00 31.44 29.18 1ocr n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1ocr n TRP 53 N 2.16 0.00 -0.42 -0.32 4.27 -1.26 -5.34 117.44 116.54 1ocr n TRP 53 Ca 0.16 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.77 1ocr n TRP 53 Cb 0.24 -0.07 0.00 0.00 -1.36 0.00 0.00 31.31 30.12 1ocr n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27