#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr n HIS 2 N 0.00 2.64 -2.74 1.43 -0.00 -1.26 -4.98 115.22 110.31 1ocr n HIS 2 Ca 0.00 -2.39 -0.34 0.00 -0.00 0.00 0.00 57.72 54.99 1ocr n HIS 2 Cb 0.00 -1.27 -0.06 0.00 -0.00 0.00 0.00 29.99 28.66 1ocr n HIS 2 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1ocr s TYR 3 N -3.34 3.25 0.56 -1.40 2.02 -1.26 -5.03 117.35 112.16 1ocr s TYR 3 Ca 0.55 1.61 -0.17 0.00 -0.37 0.00 0.00 57.07 58.69 1ocr s TYR 3 Cb 0.43 -2.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 1ocr s TYR 3 CO -0.24 -0.29 1.05 -1.21 -1.57 0.00 0.00 175.55 173.29 1ocr s GLU 4 N -3.10 3.45 0.15 -0.62 2.02 -1.26 -5.07 118.70 114.27 1ocr s GLU 4 Ca 0.62 1.25 0.06 0.00 0.02 0.00 0.00 54.97 56.92 1ocr s GLU 4 Cb -0.12 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 1ocr s GLU 4 CO 0.16 -0.71 -0.13 -1.21 0.02 0.00 0.00 175.26 173.39 1ocr s GLU 5 N -3.84 1.11 0.00 1.61 2.02 -1.26 -4.62 118.70 113.71 1ocr s GLU 5 Ca 0.65 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1ocr s GLU 5 Cb -0.16 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.23 1ocr s GLU 5 CO 0.32 0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.15 1ocr n GLY 6 N 0.03 1.80 3.65 -1.39 0.00 -1.26 -4.83 105.19 103.19 1ocr n GLY 6 Ca -0.12 -2.11 -0.51 0.00 0.00 0.00 0.00 46.02 43.29 1ocr n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ocr n PRO 7 N 0.20 1.59 -0.99 1.61 -0.02 -1.26 -1.10 135.00 135.03 1ocr n PRO 7 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ocr n PRO 7 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1ocr n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocr n GLY 8 N 3.31 0.74 0.00 -1.23 0.00 -1.26 -4.86 105.19 101.89 1ocr n GLY 8 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1ocr n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ocr n LYS 9 N -2.37 3.88 -1.14 1.61 4.01 -0.26 -4.61 118.16 119.28 1ocr n LYS 9 Ca 0.00 -0.01 -0.25 0.00 -0.51 0.00 0.00 58.31 57.54 1ocr n LYS 9 Cb 0.01 -0.85 0.12 0.00 -0.51 0.00 0.00 35.03 33.81 1ocr n LYS 9 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ocr n ASN 10 N -1.28 5.17 -4.07 4.39 6.94 -1.23 -4.74 115.26 120.45 1ocr n ASN 10 Ca 0.00 -3.50 -0.13 0.00 -0.02 0.00 0.00 54.58 50.93 1ocr n ASN 10 Cb 0.09 -0.88 -0.11 0.00 -2.36 0.00 0.00 39.78 36.52 1ocr n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1ocr s ILE 11 N -3.45 0.55 -2.00 1.53 -4.36 -1.26 -5.04 121.20 107.16 1ocr s ILE 11 Ca 0.53 -1.14 0.14 0.00 -0.26 0.00 0.00 60.65 59.92 1ocr s ILE 11 Cb 0.43 -0.69 0.40 0.00 1.25 0.00 0.00 42.46 43.86 1ocr s ILE 11 CO 0.05 -0.42 1.39 -0.81 0.24 0.00 0.00 174.94 175.40 1ocr n PRO 12 N 1.35 0.79 -4.26 0.37 -0.04 -1.26 -4.75 135.00 127.20 1ocr n PRO 12 Ca -0.22 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.06 1ocr n PRO 12 Cb 0.55 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 1ocr n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ocr s PHE 13 N -2.00 0.96 0.21 0.54 -0.71 -1.26 -5.12 117.98 110.60 1ocr s PHE 13 Ca 0.21 -0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.47 1ocr s PHE 13 Cb 0.10 -0.58 -0.08 0.00 -1.21 0.00 0.00 43.02 41.25 1ocr s PHE 13 CO 0.16 -0.00 1.08 0.45 -1.34 0.00 0.00 175.22 175.58 1ocr s SER 14 N -1.01 7.30 -0.11 1.98 0.15 -1.26 -4.93 113.70 115.82 1ocr s SER 14 Ca -0.01 2.13 0.16 0.00 0.70 0.00 0.00 55.95 58.93 1ocr s SER 14 Cb -0.07 -2.61 0.25 0.00 -1.71 0.00 0.00 66.02 61.88 1ocr s SER 14 CO 0.01 -0.16 1.13 0.55 1.20 0.00 0.00 173.24 175.96 1ocr n VAL 15 N 1.96 1.74 0.18 4.45 3.14 -1.26 -4.69 118.33 123.85 1ocr n VAL 15 Ca 0.01 -2.07 0.05 0.00 -2.96 0.00 0.00 64.34 59.38 1ocr n VAL 15 Cb 0.46 -0.13 0.30 0.00 -1.06 0.00 0.00 33.84 33.40 1ocr n VAL 15 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ocr h GLU 16 N 0.00 0.00 -4.69 1.45 3.07 -1.92 -3.40 114.58 109.09 1ocr h GLU 16 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 1ocr h GLU 16 Cb 0.95 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.49 1ocr h GLU 16 CO 0.00 0.39 -0.82 1.21 -1.40 0.00 0.00 179.01 178.40 1ocr s ASN 17 N -6.44 3.55 0.58 1.42 3.84 -1.26 -5.01 114.94 111.62 1ocr s ASN 17 Ca 0.01 -0.95 0.28 0.00 0.21 0.00 0.00 52.86 52.41 1ocr s ASN 17 Cb 0.11 -1.32 1.73 0.00 -0.55 0.00 0.00 41.25 41.22 1ocr s ASN 17 CO 0.69 -0.13 2.23 0.07 -2.79 0.00 0.00 177.10 177.17 1ocr h LYS 18 N 7.93 0.00 0.05 0.43 2.10 -1.96 -0.37 116.57 124.75 1ocr h LYS 18 Ca -0.29 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.09 1ocr h LYS 18 Cb 1.09 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.39 1ocr h LYS 18 CO 0.49 0.02 -1.47 -1.49 -2.00 0.00 0.00 179.45 175.00 1ocr h TRP 19 N 0.00 0.18 -0.03 0.07 4.06 -1.97 -1.81 115.95 116.45 1ocr h TRP 19 Ca -0.00 -0.13 -0.18 0.00 2.06 0.00 0.00 58.89 60.65 1ocr h TRP 19 Cb 0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1ocr h TRP 19 CO 0.00 1.17 -0.76 -0.09 -3.56 0.00 0.00 178.44 175.19 1ocr h ARG 20 N 0.03 0.22 -0.42 0.49 2.43 -1.85 -2.33 114.38 112.94 1ocr h ARG 20 Ca -0.20 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 58.72 1ocr h ARG 20 Cb 1.95 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.53 1ocr h ARG 20 CO 0.12 0.88 0.07 1.25 -1.51 0.00 0.00 179.97 180.78 1ocr h LEU 21 N 0.14 0.68 -0.96 3.80 5.85 -1.12 -1.45 115.31 122.25 1ocr h LEU 21 Ca -0.03 -0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.58 1ocr h LEU 21 Cb 1.34 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1ocr h LEU 21 CO 0.12 0.77 0.57 0.25 -0.34 0.00 0.00 178.44 179.81 1ocr h LEU 22 N 0.56 0.79 -0.12 2.25 6.46 -0.97 0.20 115.31 124.47 1ocr h LEU 22 Ca 0.13 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1ocr h LEU 22 Cb 0.38 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1ocr h LEU 22 CO 0.01 0.36 -0.11 0.00 -0.62 0.00 0.00 178.44 178.08 1ocr h ALA 23 N 1.57 0.17 -0.66 1.25 0.00 -0.97 -1.59 119.26 119.03 1ocr h ALA 23 Ca 0.51 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ocr h ALA 23 Cb 0.64 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ocr h ALA 23 CO -0.32 0.02 0.22 0.52 0.00 0.00 0.00 179.25 179.70 1ocr h MET 24 N -0.10 1.02 -0.55 0.00 2.86 -0.20 -1.28 114.93 116.68 1ocr h MET 24 Ca 0.02 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1ocr h MET 24 Cb 0.63 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1ocr h MET 24 CO 0.03 0.88 0.14 0.52 1.06 0.00 0.00 176.91 179.54 1ocr h MET 25 N 0.95 0.87 -0.31 1.72 2.07 -0.68 -0.09 114.93 119.48 1ocr h MET 25 Ca 0.22 -0.20 0.03 0.00 -2.07 0.00 0.00 59.70 57.67 1ocr h MET 25 Cb 0.27 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.86 1ocr h MET 25 CO -0.01 0.81 0.13 1.15 1.07 0.00 0.00 176.91 180.06 1ocr h THR 26 N 0.77 0.96 -0.27 2.22 2.02 -1.08 -1.11 112.91 116.43 1ocr h THR 26 Ca 0.17 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1ocr h THR 26 Cb 0.32 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1ocr h THR 26 CO -0.00 0.05 0.11 -0.07 0.37 0.00 0.00 175.52 175.98 1ocr h LEU 27 N 0.28 0.37 0.00 2.58 4.07 -0.97 0.85 115.31 122.49 1ocr h LEU 27 Ca 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1ocr h LEU 27 Cb 0.07 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1ocr h LEU 27 CO -0.11 0.43 0.00 0.33 -1.08 0.00 0.00 178.44 178.01 1ocr n PHE 28 N -4.77 0.00 0.04 1.13 7.35 -0.07 -0.19 117.46 120.96 1ocr n PHE 28 Ca -0.03 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.67 1ocr n PHE 28 Cb 0.13 -0.48 0.32 0.00 0.35 0.00 0.00 39.48 39.80 1ocr n PHE 28 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1ocr h PHE 29 N 0.00 0.43 0.67 -5.13 0.04 -1.31 -2.45 116.94 109.19 1ocr h PHE 29 Ca 0.00 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1ocr h PHE 29 Cb 0.00 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.03 1ocr h PHE 29 CO -0.06 0.48 -0.33 0.78 -0.60 0.00 0.00 178.31 178.59 1ocr h GLY 30 N 0.81 -0.96 0.54 -1.45 0.00 -0.72 -0.44 103.07 100.85 1ocr h GLY 30 Ca 0.08 0.36 0.13 0.00 0.00 0.00 0.00 47.33 47.90 1ocr h GLY 30 CO 0.02 -0.35 0.58 1.48 0.00 0.00 0.00 176.54 178.27 1ocr h SER 31 N -0.91 0.73 0.10 0.19 4.64 -0.40 -0.12 113.55 117.78 1ocr h SER 31 Ca -0.09 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1ocr h SER 31 Cb 0.70 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1ocr h SER 31 CO 0.15 0.38 -0.05 1.23 -0.87 0.00 0.00 176.83 177.66 1ocr h GLY 32 N 0.77 -0.14 1.67 -0.77 0.00 -0.92 -1.69 103.07 101.98 1ocr h GLY 32 Ca 0.45 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.75 1ocr h GLY 32 CO -0.22 -0.05 -0.25 -2.75 0.00 0.00 0.00 176.54 173.27 1ocr h PHE 33 N -0.20 0.43 -0.12 5.60 3.57 -0.36 -3.16 116.94 122.70 1ocr h PHE 33 Ca -0.01 -0.08 -0.17 0.00 3.53 0.00 0.00 57.97 61.23 1ocr h PHE 33 Cb 0.16 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1ocr h PHE 33 CO -0.05 0.61 -0.65 0.00 -2.23 0.00 0.00 178.31 175.99 1ocr h ALA 34 N 1.40 0.64 -0.68 2.41 0.00 -0.86 -3.37 119.26 118.80 1ocr h ALA 34 Ca 0.05 -0.56 0.11 0.00 0.00 0.00 0.00 54.91 54.51 1ocr h ALA 34 Cb 0.62 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.23 1ocr h ALA 34 CO 0.04 0.72 -0.40 0.00 0.00 0.00 0.00 179.25 179.62 1ocr h ALA 35 N 0.94 -0.15 -0.85 0.00 0.00 -1.27 -1.56 119.26 116.37 1ocr h ALA 35 Ca -0.01 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1ocr h ALA 35 Cb 1.21 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 19.86 1ocr h ALA 35 CO 0.12 -0.74 0.55 -1.35 0.00 0.00 0.00 179.25 177.82 1ocr h PRO 36 N -0.16 0.69 -0.24 0.00 0.11 -1.78 -1.04 132.00 129.60 1ocr h PRO 36 Ca 0.23 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 1ocr h PRO 36 Cb 0.56 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1ocr h PRO 36 CO -0.75 0.46 -0.18 0.74 -0.21 0.00 0.00 178.00 178.06 1ocr h PHE 37 N 0.71 0.45 0.00 0.65 0.04 -1.51 -1.77 116.94 115.50 1ocr h PHE 37 Ca 0.41 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 61.06 1ocr h PHE 37 Cb 0.60 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1ocr h PHE 37 CO -0.00 0.57 -0.40 0.74 -0.60 0.00 0.00 178.31 178.62 1ocr h PHE 38 N 0.38 0.00 -0.14 -0.55 -1.00 -1.02 -2.40 116.94 112.21 1ocr h PHE 38 Ca 0.07 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.72 1ocr h PHE 38 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1ocr h PHE 38 CO 0.01 0.23 -0.41 0.82 -1.61 0.00 0.00 178.31 177.36 1ocr h ILE 39 N 0.00 1.36 -0.94 -0.55 2.04 -0.79 0.47 117.51 119.10 1ocr h ILE 39 Ca -0.01 -1.69 0.02 0.00 1.00 0.00 0.00 64.86 64.18 1ocr h ILE 39 Cb 1.19 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 39.27 1ocr h ILE 39 CO 0.03 0.51 0.62 0.58 0.00 0.00 0.00 178.15 179.89 1ocr h VAL 40 N 0.14 1.21 -0.34 1.67 2.07 -1.33 0.42 116.25 120.09 1ocr h VAL 40 Ca -0.01 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1ocr h VAL 40 Cb 1.02 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1ocr h VAL 40 CO 0.09 0.23 -0.02 -0.09 0.02 0.00 0.00 177.57 177.79 1ocr h ARG 41 N 1.24 0.62 -0.89 1.57 2.43 -1.27 -1.28 114.38 116.80 1ocr h ARG 41 Ca 0.36 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1ocr h ARG 41 Cb -0.08 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 1ocr h ARG 41 CO -0.09 0.75 0.57 1.25 -1.51 0.00 0.00 179.97 180.94 1ocr h HIS 42 N 0.41 1.07 -0.38 2.20 2.76 0.15 -1.38 115.15 119.98 1ocr h HIS 42 Ca 0.09 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.18 1ocr h HIS 42 Cb 0.49 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1ocr h HIS 42 CO 0.04 0.59 -0.20 1.96 -1.30 0.00 0.00 177.93 179.02 1ocr h GLN 43 N 1.08 0.80 0.00 5.26 1.08 -0.70 -2.74 115.11 119.89 1ocr h GLN 43 Ca 0.37 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1ocr h GLN 43 Cb 0.07 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1ocr h GLN 43 CO -0.14 0.99 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.62 1ocr h LEU 44 N 0.60 0.00 -2.73 1.46 4.07 -0.69 -2.83 115.31 115.19 1ocr h LEU 44 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1ocr h LEU 44 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1ocr h LEU 44 CO 0.06 0.04 0.00 0.18 -1.08 0.00 0.00 178.44 177.64 1ocr n LEU 45 N -3.46 4.22 -0.03 1.67 4.77 -0.57 -3.73 117.00 119.88 1ocr n LEU 45 Ca -0.02 -2.14 -0.02 0.00 -0.03 0.00 0.00 56.01 53.80 1ocr n LEU 45 Cb 0.16 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 1ocr n LEU 45 CO 0.26 0.54 -0.73 0.29 -1.33 0.00 0.00 177.39 176.42 1ocr n LYS 46 N 0.51 1.93 0.00 3.23 5.02 -1.07 -5.05 118.16 122.74 1ocr n LYS 46 Ca 0.20 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1ocr n LYS 46 Cb 0.88 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 1ocr n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05