#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 4.45 0.50 0.00 0.04 -1.26 -5.05 135.00 133.68 1ocr s PRO 7 Ca 0.00 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.94 1ocr s PRO 7 Cb 0.00 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.29 1ocr s PRO 7 CO 0.00 -0.20 0.70 0.16 0.04 0.00 0.00 177.00 177.70 1ocr s ASP 8 N 0.65 5.37 0.29 6.66 1.47 -1.26 -4.92 116.67 124.94 1ocr s ASP 8 Ca 0.57 -0.32 0.02 0.00 1.18 0.00 0.00 52.55 54.00 1ocr s ASP 8 Cb -0.32 -0.58 0.72 0.00 -0.34 0.00 0.00 42.92 42.40 1ocr s ASP 8 CO 0.32 -1.04 1.63 0.15 0.68 0.00 0.00 175.17 176.92 1ocr h PHE 9 N 0.31 0.26 -0.58 2.11 3.04 -1.98 0.20 116.94 120.28 1ocr h PHE 9 Ca -0.39 0.05 -0.07 0.00 3.98 0.00 0.00 57.97 61.54 1ocr h PHE 9 Cb 1.29 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.80 1ocr h PHE 9 CO 0.35 -0.27 0.09 0.45 -2.02 0.00 0.00 178.31 176.92 1ocr h HIS 10 N 0.15 0.99 -0.60 0.41 -0.00 -1.95 0.23 115.15 114.38 1ocr h HIS 10 Ca 0.56 -0.12 -0.07 0.00 -0.00 0.00 0.00 60.37 60.74 1ocr h HIS 10 Cb 1.15 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.25 1ocr h HIS 10 CO -0.31 0.85 0.11 -0.44 -0.00 0.00 0.00 177.93 178.13 1ocr h ASP 11 N 0.89 0.95 0.00 2.45 3.32 -1.04 -1.37 116.42 121.62 1ocr h ASP 11 Ca 0.18 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ocr h ASP 11 Cb 0.39 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ocr h ASP 11 CO 0.01 0.96 0.00 0.29 -1.72 0.00 0.00 179.24 178.78 1ocr n LYS 12 N -4.31 0.00 0.06 3.56 5.02 -0.46 -4.50 118.16 117.53 1ocr n LYS 12 Ca 0.03 0.49 0.12 0.00 -2.02 0.00 0.00 58.31 56.93 1ocr n LYS 12 Cb 0.27 -1.15 0.13 0.00 -0.02 0.00 0.00 35.03 34.26 1ocr n LYS 12 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1ocr h TYR 13 N 0.00 0.00 -0.91 2.13 0.05 -0.70 -3.41 116.97 114.13 1ocr h TYR 13 Ca 0.00 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.91 1ocr h TYR 13 Cb 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.60 1ocr h TYR 13 CO 0.07 0.00 -0.38 0.41 -1.05 0.00 0.00 178.16 177.21 1ocr n GLY 14 N 1.33 -1.93 0.27 3.88 0.00 -0.52 -0.17 105.19 108.05 1ocr n GLY 14 Ca 0.03 1.03 -0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 0.49 0.35 1.61 2.35 -1.79 -1.21 115.58 117.39 1ocr h ASN 15 Ca 0.30 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1ocr h ASN 15 Cb 0.53 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1ocr h ASN 15 CO -0.90 0.58 -0.17 0.00 -1.65 0.00 0.00 177.43 175.29 1ocr h ALA 16 N 1.48 -0.48 -0.44 -0.83 0.00 -0.84 -2.45 119.26 115.70 1ocr h ALA 16 Ca 0.10 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1ocr h ALA 16 Cb 0.36 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1ocr h ALA 16 CO 0.01 -0.57 -0.26 0.28 0.00 0.00 0.00 179.25 178.72 1ocr h VAL 17 N -0.87 0.31 -0.10 0.00 2.07 -0.98 0.53 116.25 117.21 1ocr h VAL 17 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1ocr h VAL 17 Cb 0.53 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1ocr h VAL 17 CO 0.08 0.00 -0.42 0.25 0.02 0.00 0.00 177.57 177.50 1ocr h LEU 18 N -0.17 -1.32 0.20 2.57 5.85 -1.22 0.32 115.31 121.54 1ocr h LEU 18 Ca 0.20 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1ocr h LEU 18 Cb 0.49 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1ocr h LEU 18 CO -0.54 -0.44 -0.10 0.00 -0.34 0.00 0.00 178.44 177.02 1ocr h ALA 19 N 0.07 -0.27 -0.70 1.25 0.00 -0.89 -1.07 119.26 117.64 1ocr h ALA 19 Ca 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ocr h ALA 19 Cb 0.63 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1ocr h ALA 19 CO -0.38 -0.44 0.46 0.66 0.00 0.00 0.00 179.25 179.55 1ocr h SER 20 N -0.70 0.77 -0.12 0.00 4.64 -0.90 0.67 113.55 117.91 1ocr h SER 20 Ca -0.03 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ocr h SER 20 Cb 0.49 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1ocr h SER 20 CO 0.05 0.55 0.06 1.23 -0.87 0.00 0.00 176.83 177.85 1ocr h GLY 21 N 0.92 0.18 0.77 -0.77 0.00 -0.97 0.37 103.07 103.56 1ocr h GLY 21 Ca 0.27 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.58 1ocr h GLY 21 CO -0.08 0.08 0.63 0.00 0.00 0.00 0.00 176.54 177.17 1ocr h ALA 22 N 0.96 1.34 0.29 3.60 0.00 -0.78 -1.07 119.26 123.61 1ocr h ALA 22 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ocr h ALA 22 Cb 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ocr h ALA 22 CO -0.01 0.45 -0.14 1.15 0.00 0.00 0.00 179.25 180.71 1ocr h THR 23 N 1.17 0.73 -0.62 0.00 2.02 -0.54 -2.87 112.91 112.80 1ocr h THR 23 Ca 0.41 -0.60 0.13 0.00 0.77 0.00 0.00 66.41 67.12 1ocr h THR 23 Cb 0.12 1.05 -0.10 0.00 -1.74 0.00 0.00 68.15 67.48 1ocr h THR 23 CO -0.16 0.12 0.09 0.15 0.37 0.00 0.00 175.52 176.09 1ocr h PHE 24 N -0.72 0.12 0.49 3.16 3.57 -0.49 -2.22 116.94 120.84 1ocr h PHE 24 Ca -0.04 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1ocr h PHE 24 Cb 0.49 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1ocr h PHE 24 CO 0.02 -0.09 -0.51 0.00 -2.23 0.00 0.00 178.31 175.50 1ocr h VAL 26 N -1.00 0.75 0.66 0.00 2.07 -1.22 -1.98 116.25 115.53 1ocr h VAL 26 Ca -0.06 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1ocr h VAL 26 Cb 0.88 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1ocr h VAL 26 CO -0.08 0.14 -0.32 0.00 0.02 0.00 0.00 177.57 177.33 1ocr h ALA 27 N 1.62 -0.90 -0.92 1.67 0.00 -1.09 -1.31 119.26 118.32 1ocr h ALA 27 Ca 0.54 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.38 1ocr h ALA 27 Cb 0.87 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1ocr h ALA 27 CO -0.32 -0.84 0.59 0.28 0.00 0.00 0.00 179.25 178.97 1ocr h VAL 28 N -1.22 0.90 0.04 0.00 2.07 -1.25 0.77 116.25 117.56 1ocr h VAL 28 Ca -0.09 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ocr h VAL 28 Cb 0.68 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1ocr h VAL 28 CO 0.15 0.15 -0.02 -0.50 0.02 0.00 0.00 177.57 177.37 1ocr h TRP 29 N 0.84 -0.05 -0.82 1.57 4.06 -1.37 0.16 115.95 120.34 1ocr h TRP 29 Ca 0.45 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.42 1ocr h TRP 29 Cb 0.55 0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.68 1ocr h TRP 29 CO -0.00 0.26 0.53 0.28 -3.56 0.00 0.00 178.44 175.95 1ocr h VAL 30 N -0.37 1.15 0.89 1.49 2.07 -0.58 0.18 116.25 121.08 1ocr h VAL 30 Ca -0.01 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1ocr h VAL 30 Cb 0.34 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1ocr h VAL 30 CO 0.01 0.19 -0.43 0.22 0.02 0.00 0.00 177.57 177.58 1ocr h TYR 31 N 1.05 -1.11 -0.98 1.57 3.20 -0.71 -2.32 116.97 117.66 1ocr h TYR 31 Ca 0.32 -0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.35 1ocr h TYR 31 Cb -0.04 0.37 -0.10 0.00 1.54 0.00 0.00 36.73 38.51 1ocr h TYR 31 CO -0.02 -0.69 0.61 1.98 -1.64 0.00 0.00 178.16 178.40 1ocr h MET 32 N -1.26 0.69 0.00 1.82 4.05 -0.17 0.35 114.93 120.40 1ocr h MET 32 Ca -0.12 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1ocr h MET 32 Cb 0.93 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1ocr h MET 32 CO 0.20 0.46 0.00 0.00 0.23 0.00 0.00 176.91 177.80 1ocr h ALA 33 N 1.63 1.00 0.00 0.39 0.00 -0.45 -3.37 119.26 118.46 1ocr h ALA 33 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1ocr h ALA 33 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ocr h ALA 33 CO -0.32 0.00 -0.51 0.25 0.00 0.00 0.00 179.25 178.67 1ocr n THR 34 N -2.39 0.00 0.05 0.00 -2.24 -0.07 -4.87 114.28 104.76 1ocr n THR 34 Ca 0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1ocr n THR 34 Cb 0.34 -0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.01 -6.95 -0.78 1.08 -0.60 -3.46 115.11 104.41 1ocr h GLN 35 Ca 0.00 -0.02 -0.45 0.00 -1.45 0.00 0.00 58.65 56.74 1ocr h GLN 35 Cb 0.51 0.01 0.06 0.00 -0.05 0.00 0.00 27.48 28.00 1ocr h GLN 35 CO 0.00 0.94 0.02 0.96 -0.95 0.00 0.00 178.83 179.80 1ocr s ILE 36 N -2.69 2.49 -0.09 2.54 -4.36 -1.26 -4.99 121.20 112.84 1ocr s ILE 36 Ca -0.00 -0.61 -0.03 0.00 -0.26 0.00 0.00 60.65 59.75 1ocr s ILE 36 Cb 0.10 -2.87 -0.06 0.00 1.25 0.00 0.00 42.46 40.87 1ocr s ILE 36 CO 0.82 0.00 2.66 0.61 0.24 0.00 0.00 174.94 179.27 1ocr n GLY 37 N -2.52 3.09 3.72 6.27 0.00 -1.26 -4.94 105.19 109.55 1ocr n GLY 37 Ca 0.10 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.20 3.54 -0.41 -0.61 1.01 -1.26 -4.96 121.20 118.31 1ocr s ILE 38 Ca 0.34 1.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.96 1ocr s ILE 38 Cb 0.19 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.95 1ocr s ILE 38 CO -0.02 0.10 0.34 -1.61 0.00 0.00 0.00 174.94 173.74 1ocr s GLU 39 N 0.90 3.00 0.21 2.79 0.41 -1.26 -4.88 118.70 119.88 1ocr s GLU 39 Ca 0.61 -0.95 0.24 0.00 -0.41 0.00 0.00 54.97 54.46 1ocr s GLU 39 Cb -0.34 -3.98 0.31 0.00 -1.78 0.00 0.00 34.13 28.34 1ocr s GLU 39 CO 0.31 -0.78 1.35 -1.49 -0.49 0.00 0.00 175.26 174.17 1ocr h TRP 40 N 8.66 0.00 -6.87 1.61 4.06 -1.96 -3.48 115.95 117.97 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 1.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1ocr h TRP 40 CO 0.57 0.00 -1.06 -1.71 -3.56 0.00 0.00 178.44 172.68 1ocr n ASN 41 N -2.46 -4.40 -4.43 -3.49 5.15 -1.26 -4.96 115.26 99.41 1ocr n ASN 41 Ca 0.03 -1.13 -0.29 0.00 -0.60 0.00 0.00 54.58 52.59 1ocr n ASN 41 Cb 0.49 -1.57 0.19 0.00 -0.53 0.00 0.00 39.78 38.36 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 -6.16 0.01 0.14 1.20 0.04 -1.26 -4.94 135.00 124.03 1ocr s PRO 42 Ca 0.23 0.27 -0.33 0.00 0.04 0.00 0.00 61.00 61.21 1ocr s PRO 42 Cb -0.13 -1.71 -0.13 0.00 0.04 0.00 0.00 34.50 32.57 1ocr s PRO 42 CO 0.93 -2.96 1.70 0.45 0.04 0.00 0.00 177.00 177.16 1ocr n SER 43 N -4.29 3.57 0.24 6.66 2.88 -1.26 -4.86 113.62 116.56 1ocr n SER 43 Ca 0.08 1.05 0.14 0.00 -1.33 0.00 0.00 58.87 58.80 1ocr n SER 43 Cb 0.58 -1.49 0.43 0.00 -0.75 0.00 0.00 64.21 62.99 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 7.00 0.00 -6.40 -1.46 0.13 -1.97 -3.43 132.00 125.87 1ocr h PRO 44 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 1ocr h PRO 44 Cb 1.23 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.39 1ocr h PRO 44 CO 0.93 0.05 1.17 1.55 -0.23 0.00 0.00 178.00 181.47 1ocr n VAL 45 N -3.13 0.60 0.00 1.56 3.14 -1.26 -1.38 118.33 117.86 1ocr n VAL 45 Ca 0.02 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1ocr n VAL 45 Cb 0.43 -2.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.01 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 4.41 2.79 0.27 7.55 0.00 -1.26 -4.82 105.19 114.14 1ocr n GLY 46 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 0.43 -3.61 1.61 0.63 -0.48 -5.01 116.66 108.22 1ocr n ARG 47 Ca 0.00 0.15 -0.38 0.00 -0.92 0.00 0.00 57.85 56.70 1ocr n ARG 47 Cb 0.00 -1.26 -0.06 0.00 0.45 0.00 0.00 32.46 31.59 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 -2.36 5.17 -0.32 5.15 1.01 -0.75 -5.06 120.40 123.23 1ocr s VAL 48 Ca -0.26 0.66 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1ocr s VAL 48 Cb 0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1ocr s VAL 48 CO 0.37 0.59 0.25 0.42 0.00 0.00 0.00 175.10 176.73 1ocr s THR 49 N -1.07 5.27 0.09 3.92 -4.23 -1.26 -4.89 115.64 113.47 1ocr s THR 49 Ca 0.21 -0.04 -0.35 0.00 -1.18 0.00 0.00 61.69 60.33 1ocr s THR 49 Cb -0.15 -3.68 -0.14 0.00 1.34 0.00 0.00 72.50 69.87 1ocr s THR 49 CO 0.11 0.05 1.59 -2.65 -0.54 0.00 0.00 174.62 173.19 1ocr n PRO 50 N 5.14 1.96 -4.80 3.99 -0.02 -1.26 -5.01 135.00 135.00 1ocr n PRO 50 Ca -0.12 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1ocr n PRO 50 Cb 0.50 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 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 1.45 3.24 0.13 -0.52 2.20 -1.26 -5.09 119.74 119.89 1ocr s LYS 51 Ca 0.83 -0.69 -0.35 0.00 -0.36 0.00 0.00 55.97 55.40 1ocr s LYS 51 Cb -0.74 -2.59 -0.16 0.00 -1.51 0.00 0.00 37.83 32.84 1ocr s LYS 51 CO 0.43 0.28 1.33 0.39 -0.36 0.00 0.00 175.35 177.42 1ocr n GLU 52 N 3.32 1.35 -0.00 4.03 -0.58 -1.26 -4.90 120.64 122.60 1ocr n GLU 52 Ca -0.18 0.48 0.09 0.00 -0.42 0.00 0.00 57.16 57.14 1ocr n GLU 52 Cb 0.53 -2.11 -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 2.33 0.00 -0.44 -0.32 4.27 -1.26 -5.34 117.44 116.69 1ocr n TRP 53 Ca 0.17 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.78 1ocr n TRP 53 Cb 0.23 -0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.14 1ocr n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27