#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjr n VAL 45 N 0.00 0.00 0.00 -0.18 0.31 -1.26 -5.09 118.33 112.11 1jjr n VAL 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1jjr n VAL 45 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1jjr n VAL 45 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jjr n GLU 46 N -2.90 0.00 -2.86 5.55 -0.58 -1.26 -5.07 120.64 113.52 1jjr n GLU 46 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1jjr n GLU 46 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1jjr n TYR 47 N -2.22 -3.07 0.06 -0.32 4.01 -1.26 -4.97 117.16 109.39 1jjr n TYR 47 Ca 0.00 -1.90 -0.10 0.00 -0.16 0.00 0.00 57.90 55.75 1jjr n TYR 47 Cb 0.00 1.23 -0.07 0.00 -0.31 0.00 0.00 39.34 40.19 1jjr n TYR 47 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1jjr h SER 48 N 4.62 -0.20 0.00 7.72 4.64 -1.97 -3.43 113.55 124.93 1jjr h SER 48 Ca 0.01 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1jjr h SER 48 Cb 1.04 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1jjr h SER 48 CO 0.20 0.36 0.00 -1.84 -0.87 0.00 0.00 176.83 174.68 1jjr n GLU 49 N -4.92 0.00 0.18 4.77 0.00 -1.26 -4.91 120.64 114.50 1jjr n GLU 49 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 56.95 1jjr n GLU 49 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.62 1jjr n GLU 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1jjr h GLU 50 N 0.00 -0.54 -0.67 3.44 4.11 -1.98 1.50 114.58 120.44 1jjr h GLU 50 Ca 0.00 0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1jjr h GLU 50 Cb 0.00 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1jjr h GLU 50 CO 0.00 -0.36 0.39 1.49 0.07 0.00 0.00 179.01 180.60 1jjr h GLU 51 N -0.56 0.91 0.03 1.06 4.57 -1.94 -0.65 114.58 118.00 1jjr h GLU 51 Ca -0.01 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1jjr h GLU 51 Cb 0.51 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1jjr h GLU 51 CO -0.05 0.66 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.31 1jjr h LEU 52 N 0.91 -0.18 -0.45 1.64 3.38 -1.81 0.10 115.31 118.91 1jjr h LEU 52 Ca 0.24 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1jjr h LEU 52 Cb -0.01 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1jjr h LEU 52 CO -0.04 -0.10 -0.02 0.11 0.09 0.00 0.00 178.44 178.48 1jjr h LYS 53 N -0.13 0.09 -0.80 1.13 1.79 0.25 0.39 116.57 119.29 1jjr h LYS 53 Ca 0.02 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1jjr h LYS 53 Cb 0.14 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.72 1jjr h LYS 53 CO -0.04 0.06 0.49 1.15 -1.08 0.00 0.00 179.45 180.03 1jjr h THR 54 N 0.09 1.05 -0.11 -0.16 2.02 -0.68 0.35 112.91 115.47 1jjr h THR 54 Ca 0.22 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jjr h THR 54 Cb 0.33 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1jjr h THR 54 CO -0.39 0.17 0.07 0.45 0.37 0.00 0.00 175.52 176.20 1jjr h HIS 55 N 0.92 0.14 -0.35 3.16 3.86 0.16 -2.05 115.15 120.98 1jjr h HIS 55 Ca 0.34 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.60 1jjr h HIS 55 Cb 0.13 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 1jjr h HIS 55 CO -0.04 0.09 0.10 0.82 0.86 0.00 0.00 177.93 179.76 1jjr h ILE 56 N 0.15 0.86 0.00 2.45 2.04 0.51 0.44 117.51 123.96 1jjr h ILE 56 Ca 0.04 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jjr h ILE 56 Cb -0.01 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1jjr h ILE 56 CO -0.01 0.04 0.00 -1.54 0.00 0.00 0.00 178.15 176.64 1jjr n SER 57 N -5.05 0.00 0.00 1.72 3.41 0.03 -4.21 113.62 109.52 1jjr n SER 57 Ca 0.01 0.86 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1jjr n SER 57 Cb 0.14 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1jjr n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jjr n LYS 58 N -1.82 0.00 0.00 4.33 5.02 -0.80 -4.98 118.16 119.90 1jjr n LYS 58 Ca 0.00 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1jjr n LYS 58 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1jjr n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jjr n GLY 59 N -0.55 0.00 0.04 0.72 0.00 0.12 -5.04 105.19 100.48 1jjr n GLY 59 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1jjr n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jjr n THR 60 N 0.00 0.00 0.32 2.61 -2.24 -1.09 -4.22 114.28 109.67 1jjr n THR 60 Ca 0.00 -0.02 0.20 0.00 -2.27 0.00 0.00 64.05 61.96 1jjr n THR 60 Cb 0.00 1.01 1.11 0.00 -2.10 0.00 0.00 70.33 70.34 1jjr n THR 60 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jjr h LEU 61 N 0.18 0.00 -1.93 3.22 6.46 -1.91 0.12 115.31 121.45 1jjr h LEU 61 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1jjr h LEU 61 Cb 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1jjr h LEU 61 CO 0.00 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.43 1jjr n GLY 62 N -1.16 1.60 0.09 3.75 0.00 -1.26 -4.16 105.19 104.04 1jjr n GLY 62 Ca -0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1jjr n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jjr n LYS 63 N 0.50 0.50 -1.37 1.61 4.01 0.43 -4.95 118.16 118.89 1jjr n LYS 63 Ca 0.14 0.52 -0.37 0.00 -0.51 0.00 0.00 58.31 58.09 1jjr n LYS 63 Cb 0.55 -1.69 0.05 0.00 -0.51 0.00 0.00 35.03 33.43 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1jjr n PHE 64 N -4.53 -0.82 -0.38 2.13 3.72 -1.26 -4.99 117.46 111.33 1jjr n PHE 64 Ca -0.19 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1jjr n PHE 64 Cb 0.45 -1.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 1jjr n PHE 64 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jjr n THR 65 N -2.00 0.00 0.03 4.37 -2.24 -1.26 -4.80 114.28 108.37 1jjr n THR 65 Ca 0.11 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1jjr n THR 65 Cb 0.49 -1.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.29 1jjr n THR 65 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1jjr h VAL 66 N -0.86 0.41 -0.81 2.28 2.07 -1.94 -2.48 116.25 114.93 1jjr h VAL 66 Ca 0.00 -1.10 0.24 0.00 0.82 0.00 0.00 66.70 66.65 1jjr h VAL 66 Cb 0.00 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1jjr h VAL 66 CO 0.00 0.12 0.63 1.55 0.02 0.00 0.00 177.57 179.89 1jjr h PRO 67 N -1.01 0.00 0.24 1.57 0.13 -1.95 0.24 132.00 131.22 1jjr h PRO 67 Ca -0.02 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.78 1jjr h PRO 67 Cb 0.34 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.50 1jjr h PRO 67 CO 0.03 0.00 -1.46 0.52 -0.23 0.00 0.00 178.00 176.86 1jjr h MET 68 N 0.00 0.51 -0.65 0.86 2.86 -1.93 -3.31 114.93 113.27 1jjr h MET 68 Ca 0.39 -0.88 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 1jjr h MET 68 Cb 1.64 0.33 -0.03 0.00 0.06 0.00 0.00 31.60 33.60 1jjr h MET 68 CO -0.00 1.42 0.38 -0.07 1.06 0.00 0.00 176.91 179.69 1jjr h LEU 69 N 0.14 0.80 -1.66 1.22 3.38 -0.11 -2.02 115.31 117.05 1jjr h LEU 69 Ca -0.24 -0.07 0.21 0.00 0.09 0.00 0.00 57.88 57.87 1jjr h LEU 69 Cb 2.15 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 42.64 1jjr h LEU 69 CO 0.27 0.64 0.59 0.50 0.09 0.00 0.00 178.44 180.53 1jjr h LYS 70 N 0.89 0.27 0.01 1.13 1.63 -1.21 -1.32 116.57 117.97 1jjr h LYS 70 Ca 0.23 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 1jjr h LYS 70 Cb 0.00 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 1jjr h LYS 70 CO -0.04 0.18 -0.17 1.49 -3.45 0.00 0.00 179.45 177.46 1jjr h GLU 71 N 0.28 -0.27 0.15 1.90 4.57 -1.46 0.70 114.58 120.46 1jjr h GLU 71 Ca 0.44 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.65 1jjr h GLU 71 Cb 1.29 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.93 1jjr h GLU 71 CO -0.12 -0.18 -0.17 0.00 -1.18 0.00 0.00 179.01 177.36 1jjr h ALA 72 N 0.65 -0.33 -0.37 2.92 0.00 -1.33 -1.01 119.26 119.80 1jjr h ALA 72 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jjr h ALA 72 Cb 0.34 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1jjr h ALA 72 CO -0.15 -0.71 0.24 0.00 0.00 0.00 0.00 179.25 178.63 1jjr h ARG 74 N 0.49 0.94 0.00 0.00 2.47 0.13 1.11 114.38 119.53 1jjr h ARG 74 Ca 0.13 -0.15 -0.16 0.00 -1.26 0.00 0.00 59.98 58.54 1jjr h ARG 74 Cb -0.05 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.08 1jjr h ARG 74 CO -0.03 0.77 -0.90 0.00 0.56 0.00 0.00 179.97 180.37 1jjr h ALA 75 N 1.35 0.59 0.02 0.04 0.00 0.10 -3.30 119.26 118.07 1jjr h ALA 75 Ca 0.22 -0.73 -0.24 0.00 0.00 0.00 0.00 54.91 54.16 1jjr h ALA 75 Cb 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1jjr h ALA 75 CO -0.02 0.92 -1.25 1.88 0.00 0.00 0.00 179.25 180.78 1jjr h TYR 76 N 0.00 0.08 0.00 0.00 -1.99 0.15 -3.48 116.97 111.73 1jjr h TYR 76 Ca -0.06 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1jjr h TYR 76 Cb 1.57 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.30 1jjr h TYR 76 CO 0.00 1.06 0.00 0.41 -0.00 0.00 0.00 178.16 179.63 1jjr n GLY 77 N 1.45 0.72 3.90 3.88 0.00 0.38 -5.05 105.19 110.47 1jjr n GLY 77 Ca -0.06 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 1jjr n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jjr s LEU 78 N 0.00 2.82 -1.10 0.99 1.43 -0.95 -5.01 118.68 116.87 1jjr s LEU 78 Ca 0.00 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 1jjr s LEU 78 Cb 0.00 -3.52 0.29 0.00 0.03 0.00 0.00 46.19 43.00 1jjr s LEU 78 CO 0.00 -1.51 1.27 1.17 0.23 0.00 0.00 176.35 177.51 1jjr n LYS 79 N -3.01 3.94 0.00 1.70 0.00 -1.26 -4.76 118.16 114.77 1jjr n LYS 79 Ca 0.07 -4.51 0.00 0.00 0.00 0.00 0.00 58.31 53.87 1jjr n LYS 79 Cb 0.59 -2.53 0.00 0.00 0.00 0.00 0.00 35.03 33.09 1jjr n LYS 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1jjr n SER 80 N 2.06 -0.38 0.00 3.14 2.88 -1.26 -5.02 113.62 115.04 1jjr n SER 80 Ca 0.25 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 1jjr n SER 80 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1jjr n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jjr n GLY 81 N 3.96 4.27 0.06 0.46 0.00 -1.26 -5.04 105.19 107.64 1jjr n GLY 81 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1jjr n GLY 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jjr n LEU 82 N 0.00 0.00 -0.35 0.99 -0.00 -1.26 -4.89 117.00 111.49 1jjr n LEU 82 Ca 0.00 -0.46 0.07 0.00 -0.00 0.00 0.00 56.01 55.62 1jjr n LEU 82 Cb 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 43.42 43.70 1jjr n LEU 82 CO 0.00 0.44 0.70 1.17 -0.00 0.00 0.00 177.39 179.69 1jjr n LYS 83 N 0.00 1.44 0.00 1.47 3.00 -1.26 -4.91 118.16 117.90 1jjr n LYS 83 Ca 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 58.31 57.63 1jjr n LYS 83 Cb 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.28 1jjr n LYS 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jjr n LYS 84 N -0.03 0.00 -0.30 1.64 4.81 -1.26 -3.99 118.16 119.04 1jjr n LYS 84 Ca 0.11 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.75 1jjr n LYS 84 Cb 0.19 0.00 0.48 0.00 0.02 0.00 0.00 35.03 35.72 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1jjr h GLN 85 N 0.00 0.45 -0.73 1.64 4.15 -1.96 0.15 115.11 118.82 1jjr h GLN 85 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1jjr h GLN 85 Cb 0.00 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1jjr h GLN 85 CO 0.00 0.30 0.35 1.49 -1.93 0.00 0.00 178.83 179.04 1jjr h GLU 86 N 0.46 1.03 -0.70 1.69 4.81 -1.97 -2.36 114.58 117.55 1jjr h GLU 86 Ca 0.54 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1jjr h GLU 86 Cb 1.28 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1jjr h GLU 86 CO -0.26 0.80 0.39 -0.07 -0.73 0.00 0.00 179.01 179.14 1jjr h LEU 87 N 1.03 0.86 -0.12 1.64 3.38 -1.02 -2.52 115.31 118.56 1jjr h LEU 87 Ca 0.25 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1jjr h LEU 87 Cb 0.10 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1jjr h LEU 87 CO -0.03 0.70 -0.29 -0.07 0.09 0.00 0.00 178.44 178.83 1jjr h LEU 88 N 0.96 -0.90 -0.35 1.67 4.07 -1.22 -0.83 115.31 118.71 1jjr h LEU 88 Ca 0.25 0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.42 1jjr h LEU 88 Cb 0.02 0.39 -0.08 0.00 1.08 0.00 0.00 40.66 42.06 1jjr h LEU 88 CO -0.04 -0.34 -0.23 -0.33 -1.08 0.00 0.00 178.44 176.42 1jjr h GLU 89 N -0.37 -0.17 -0.77 1.13 5.08 -1.28 0.93 114.58 119.13 1jjr h GLU 89 Ca 0.10 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 1jjr h GLU 89 Cb 0.52 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 1jjr h GLU 89 CO -0.33 -0.12 0.32 0.00 -1.00 0.00 0.00 179.01 177.88 1jjr h ALA 90 N 0.99 1.10 0.61 3.43 0.00 -0.98 0.82 119.26 125.22 1jjr h ALA 90 Ca 0.17 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jjr h ALA 90 Cb 0.45 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jjr h ALA 90 CO -0.45 -0.20 -0.29 -0.07 0.00 0.00 0.00 179.25 178.23 1jjr h LEU 91 N 0.46 -0.69 -0.46 0.00 4.07 0.49 -2.84 115.31 116.34 1jjr h LEU 91 Ca 0.42 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.50 1jjr h LEU 91 Cb 0.65 0.18 -0.10 0.00 1.08 0.00 0.00 40.66 42.47 1jjr h LEU 91 CO -0.40 -0.35 -0.23 0.74 -1.08 0.00 0.00 178.44 177.13 1jjr h THR 92 N -1.11 0.35 -1.08 0.22 2.02 0.12 0.29 112.91 113.72 1jjr h THR 92 Ca -0.08 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.39 1jjr h THR 92 Cb 0.62 0.35 -0.08 0.00 -1.74 0.00 0.00 68.15 67.30 1jjr h THR 92 CO 0.14 0.00 0.72 0.50 0.37 0.00 0.00 175.52 177.25 1jjr h LYS 93 N -0.13 0.26 0.00 6.66 1.63 0.60 1.31 116.57 126.90 1jjr h LYS 93 Ca 0.22 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1jjr h LYS 93 Cb 0.47 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1jjr h LYS 93 CO -0.54 0.17 0.00 1.58 -3.45 0.00 0.00 179.45 177.21 1jjr n HIS 94 N -4.51 0.00 -2.25 1.91 -0.00 1.00 -3.67 115.22 107.71 1jjr n HIS 94 Ca 0.26 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.44 1jjr n HIS 94 Cb 1.00 -0.28 -0.01 0.00 -0.12 0.00 0.00 29.99 30.58 1jjr n HIS 94 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1jjr n PHE 95 N -1.28 0.00 -2.19 1.57 3.72 0.37 -5.06 117.46 114.59 1jjr n PHE 95 Ca 0.14 -0.40 -0.38 0.00 -0.05 0.00 0.00 57.45 56.76 1jjr n PHE 95 Cb 0.22 0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 1jjr n PHE 95 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1jjr s GLN 96 N 0.00 2.80 0.00 -1.08 -2.07 0.33 -4.98 119.66 114.66 1jjr s GLN 96 Ca 0.17 0.20 0.00 0.00 -1.82 0.00 0.00 55.36 53.91 1jjr s GLN 96 Cb 0.19 -4.48 0.00 0.00 -1.09 0.00 0.00 33.01 27.63 1jjr s GLN 96 CO -0.08 -2.66 0.00 -3.47 -1.32 0.00 0.00 175.29 167.76