#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjr h VAL 45 N 0.00 1.41 -0.52 -0.18 2.07 -2.08 -3.48 116.25 113.47 1jjr h VAL 45 Ca 0.00 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 65.65 1jjr h VAL 45 Cb 0.00 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1jjr h VAL 45 CO 0.00 0.52 -0.10 1.21 0.02 0.00 0.00 177.57 179.22 1jjr n GLU 46 N -4.35 -0.31 -3.39 1.57 4.07 -1.26 -4.05 120.64 112.92 1jjr n GLU 46 Ca -0.08 0.24 -0.12 0.00 -0.06 0.00 0.00 57.16 57.13 1jjr n GLU 46 Cb 0.54 -3.96 0.01 0.00 -0.06 0.00 0.00 31.44 27.98 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1jjr n TYR 47 N -3.88 -2.53 0.03 4.31 4.01 -1.26 -4.77 117.16 113.06 1jjr n TYR 47 Ca -0.05 0.96 -0.11 0.00 -0.16 0.00 0.00 57.90 58.54 1jjr n TYR 47 Cb 0.49 -3.57 -0.08 0.00 -0.31 0.00 0.00 39.34 35.87 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 -0.07 -0.13 0.00 7.72 4.64 -1.98 -3.45 113.55 120.29 1jjr h SER 48 Ca -0.31 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1jjr h SER 48 Cb 1.19 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1jjr h SER 48 CO 0.35 0.47 0.00 -1.84 -0.87 0.00 0.00 176.83 174.93 1jjr n GLU 49 N -4.87 0.00 0.19 4.77 0.28 -1.26 -4.99 120.64 114.75 1jjr n GLU 49 Ca -0.08 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.78 1jjr n GLU 49 Cb 0.28 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.08 1jjr n GLU 49 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1jjr h GLU 50 N 0.00 -0.60 -0.71 3.44 4.11 -1.98 1.23 114.58 120.07 1jjr h GLU 50 Ca 0.00 0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.48 1jjr h GLU 50 Cb 0.00 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1jjr h GLU 50 CO 0.00 -0.40 0.47 1.49 0.07 0.00 0.00 179.01 180.64 1jjr h GLU 51 N -0.63 0.93 0.01 1.06 4.57 -1.96 -0.46 114.58 118.10 1jjr h GLU 51 Ca -0.01 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1jjr h GLU 51 Cb 0.58 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1jjr h GLU 51 CO -0.08 0.61 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.25 1jjr h LEU 52 N 0.95 -0.13 -0.43 1.64 3.38 -1.81 0.16 115.31 119.08 1jjr h LEU 52 Ca 0.26 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.33 1jjr h LEU 52 Cb -0.11 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1jjr h LEU 52 CO -0.06 -0.07 -0.02 0.11 0.09 0.00 0.00 178.44 178.49 1jjr h LYS 53 N -0.09 0.08 -0.69 1.13 1.79 0.20 0.52 116.57 119.51 1jjr h LYS 53 Ca 0.02 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1jjr h LYS 53 Cb 0.11 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.69 1jjr h LYS 53 CO -0.04 0.05 0.42 1.15 -1.08 0.00 0.00 179.45 179.95 1jjr h THR 54 N 0.08 1.06 -0.08 -0.16 2.02 -0.65 0.70 112.91 115.87 1jjr h THR 54 Ca 0.21 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1jjr h THR 54 Cb 0.31 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1jjr h THR 54 CO -0.38 0.15 0.04 0.45 0.37 0.00 0.00 175.52 176.15 1jjr h HIS 55 N 0.81 0.08 -0.37 3.16 3.86 0.13 -2.35 115.15 120.47 1jjr h HIS 55 Ca 0.29 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.55 1jjr h HIS 55 Cb 0.07 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 1jjr h HIS 55 CO -0.05 0.05 0.11 0.82 0.86 0.00 0.00 177.93 179.72 1jjr h ILE 56 N 0.09 0.86 0.00 2.45 2.04 0.64 0.11 117.51 123.70 1jjr h ILE 56 Ca 0.03 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1jjr h ILE 56 Cb 0.00 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1jjr h ILE 56 CO -0.02 0.05 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 0.17 -4.19 113.62 109.68 1jjr n SER 57 Ca 0.02 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1jjr n SER 57 Cb 0.15 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.38 0.00 0.00 4.33 5.02 -0.91 -4.98 118.16 120.24 1jjr n LYS 58 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1jjr n LYS 58 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.62 0.00 0.00 0.72 0.00 0.34 -5.04 105.19 100.59 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 0.33 2.61 -2.24 -1.03 -4.24 114.28 109.70 1jjr n THR 60 Ca 0.00 -0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.98 1jjr n THR 60 Cb 0.00 0.97 1.13 0.00 -2.10 0.00 0.00 70.33 70.32 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 0.02 0.00 -2.66 3.22 6.46 -1.92 0.57 115.31 121.01 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 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 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 -1.15 2.32 0.09 3.75 0.00 -1.26 -4.31 105.19 104.62 1jjr n GLY 62 Ca -0.03 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1jjr n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jjr n LYS 63 N 0.66 0.50 -0.84 1.61 4.81 0.19 -4.97 118.16 120.11 1jjr n LYS 63 Ca 0.20 0.45 -0.34 0.00 -0.87 0.00 0.00 58.31 57.75 1jjr n LYS 63 Cb 0.82 -1.64 0.10 0.00 0.02 0.00 0.00 35.03 34.34 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1jjr n PHE 64 N -4.52 -2.37 -0.99 5.64 3.72 -1.26 -4.98 117.46 112.70 1jjr n PHE 64 Ca -0.17 0.18 -0.14 0.00 -0.05 0.00 0.00 57.45 57.27 1jjr n PHE 64 Cb 0.44 -1.64 0.11 0.00 -0.94 0.00 0.00 39.48 37.45 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 -3.44 0.00 0.03 4.37 -2.24 -1.26 -4.85 114.28 106.88 1jjr n THR 65 Ca 0.03 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 1jjr n THR 65 Cb 0.57 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.41 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 -1.84 0.60 -0.83 2.28 2.07 -1.93 -2.53 116.25 114.07 1jjr h VAL 66 Ca -0.20 -1.19 0.24 0.00 0.82 0.00 0.00 66.70 66.37 1jjr h VAL 66 Cb 0.58 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1jjr h VAL 66 CO 0.13 0.18 0.68 1.55 0.02 0.00 0.00 177.57 180.13 1jjr h PRO 67 N -0.97 0.00 0.17 1.57 0.13 -1.99 0.27 132.00 131.18 1jjr h PRO 67 Ca -0.02 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.86 1jjr h PRO 67 Cb 0.43 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.59 1jjr h PRO 67 CO 0.03 0.00 -1.10 0.52 -0.23 0.00 0.00 178.00 177.22 1jjr h MET 68 N 0.00 0.44 -0.70 0.86 2.86 -1.94 -3.24 114.93 113.21 1jjr h MET 68 Ca 0.39 -0.70 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1jjr h MET 68 Cb 1.74 0.25 -0.03 0.00 0.06 0.00 0.00 31.60 33.62 1jjr h MET 68 CO -0.00 1.33 0.42 -0.07 1.06 0.00 0.00 176.91 179.65 1jjr h LEU 69 N -0.09 0.84 -1.63 1.22 3.38 -0.13 -1.34 115.31 117.57 1jjr h LEU 69 Ca -0.19 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 57.88 1jjr h LEU 69 Cb 1.85 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 1jjr h LEU 69 CO 0.21 0.66 0.50 0.11 0.09 0.00 0.00 178.44 180.01 1jjr h LYS 70 N 0.96 0.35 0.17 1.13 1.79 -1.02 -1.89 116.57 118.06 1jjr h LYS 70 Ca 0.25 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1jjr h LYS 70 Cb -0.03 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 1jjr h LYS 70 CO -0.05 0.23 -0.31 1.49 -1.08 0.00 0.00 179.45 179.74 1jjr h GLU 71 N 0.36 -0.54 -0.61 3.15 4.22 -1.26 0.62 114.58 120.51 1jjr h GLU 71 Ca 0.37 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.90 1jjr h GLU 71 Cb 0.92 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1jjr h GLU 71 CO -0.11 -0.36 0.34 0.00 -2.18 0.00 0.00 179.01 176.70 1jjr h ALA 72 N 0.07 0.81 -0.64 2.92 0.00 -1.38 -0.23 119.26 120.81 1jjr h ALA 72 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jjr h ALA 72 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1jjr h ALA 72 CO -0.15 0.02 0.39 0.00 0.00 0.00 0.00 179.25 179.51 1jjr h ARG 74 N 0.87 0.73 -0.00 0.00 1.12 0.11 0.90 114.38 118.12 1jjr h ARG 74 Ca 0.23 -0.08 -0.18 0.00 -1.11 0.00 0.00 59.98 58.84 1jjr h ARG 74 Cb -0.02 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.77 1jjr h ARG 74 CO -0.04 0.56 -0.82 0.00 -3.11 0.00 0.00 179.97 176.56 1jjr h ALA 75 N 1.56 0.62 0.00 2.80 0.00 -0.32 -3.16 119.26 120.76 1jjr h ALA 75 Ca 0.19 -0.71 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1jjr h ALA 75 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jjr h ALA 75 CO -0.03 0.94 -0.72 1.88 0.00 0.00 0.00 179.25 181.32 1jjr h TYR 76 N 0.06 0.00 0.00 0.00 -1.99 0.08 -3.48 116.97 111.64 1jjr h TYR 76 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1jjr h TYR 76 Cb 1.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.16 1jjr h TYR 76 CO 0.02 0.34 0.00 0.41 -0.00 0.00 0.00 178.16 178.93 1jjr n GLY 77 N 1.24 0.79 3.92 3.88 0.00 0.29 -5.06 105.19 110.24 1jjr n GLY 77 Ca -0.01 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 2.63 -0.26 0.99 1.43 -0.04 -4.99 118.68 118.44 1jjr s LEU 78 Ca 0.00 0.52 -0.16 0.00 -1.03 0.00 0.00 54.13 53.46 1jjr s LEU 78 Cb 0.00 -2.88 -0.14 0.00 0.03 0.00 0.00 46.19 43.21 1jjr s LEU 78 CO 0.00 -2.14 -0.23 1.17 0.23 0.00 0.00 176.35 175.38 1jjr n LYS 79 N -3.40 0.58 0.00 1.70 0.00 -1.26 -4.59 118.16 111.20 1jjr n LYS 79 Ca 0.11 0.33 0.00 0.00 0.00 0.00 0.00 58.31 58.75 1jjr n LYS 79 Cb 0.60 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 34.08 1jjr n LYS 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1jjr n SER 80 N -4.29 -1.32 0.00 3.14 3.41 -1.26 -5.02 113.62 108.27 1jjr n SER 80 Ca -0.50 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1jjr n SER 80 Cb 0.84 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1jjr n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jjr n GLY 81 N 0.00 2.44 0.85 5.00 0.00 -1.26 -4.95 105.19 107.27 1jjr n GLY 81 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1jjr n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jjr n LEU 82 N 0.00 -2.76 0.00 0.99 4.77 -1.26 -4.50 117.00 114.24 1jjr n LEU 82 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1jjr n LEU 82 Cb 0.00 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1jjr n LEU 82 CO 0.00 -0.35 0.00 1.17 -1.33 0.00 0.00 177.39 176.88 1jjr n LYS 83 N 0.35 0.00 0.00 3.23 4.81 -1.26 -4.07 118.16 121.22 1jjr n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jjr n LYS 83 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1jjr n LYS 83 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1jjr n LYS 84 N 0.00 0.00 -0.34 1.64 2.85 -1.26 -4.93 118.16 116.12 1jjr n LYS 84 Ca 0.00 0.00 0.20 0.00 -1.05 0.00 0.00 58.31 57.46 1jjr n LYS 84 Cb 0.00 0.00 0.42 0.00 -0.65 0.00 0.00 35.03 34.80 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1jjr h GLN 85 N 0.00 0.47 -1.05 -1.58 4.15 -1.92 0.44 115.11 115.63 1jjr h GLN 85 Ca 0.00 -0.03 0.27 0.00 0.77 0.00 0.00 58.65 59.66 1jjr h GLN 85 Cb 0.00 -0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.49 1jjr h GLN 85 CO 0.00 0.31 0.67 0.93 -1.93 0.00 0.00 178.83 178.81 1jjr h GLU 86 N 0.49 0.38 0.15 1.69 4.39 -1.79 0.23 114.58 120.11 1jjr h GLU 86 Ca 0.67 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.34 1jjr h GLU 86 Cb 1.40 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1jjr h GLU 86 CO -0.51 0.25 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.45 1jjr h LEU 87 N 0.39 -0.17 -0.11 1.33 3.38 -0.37 0.28 115.31 120.04 1jjr h LEU 87 Ca 0.60 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.52 1jjr h LEU 87 Cb 1.53 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.26 1jjr h LEU 87 CO -0.30 -0.01 -0.28 -0.07 0.09 0.00 0.00 178.44 177.87 1jjr h LEU 88 N -0.32 -0.87 -0.47 1.67 4.07 -0.64 -0.74 115.31 118.02 1jjr h LEU 88 Ca -0.02 0.13 0.09 0.00 0.08 0.00 0.00 57.88 58.16 1jjr h LEU 88 Cb 0.25 0.37 -0.08 0.00 1.08 0.00 0.00 40.66 42.28 1jjr h LEU 88 CO 0.03 -0.33 -0.06 -0.08 -1.08 0.00 0.00 178.44 176.93 1jjr h GLU 89 N -0.36 0.05 -0.68 1.13 4.81 -0.93 0.71 114.58 119.31 1jjr h GLU 89 Ca 0.09 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.44 1jjr h GLU 89 Cb 0.50 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 1jjr h GLU 89 CO -0.32 0.03 0.25 0.00 -0.73 0.00 0.00 179.01 178.24 1jjr h ALA 90 N 1.44 0.90 0.66 2.92 0.00 -0.05 1.04 119.26 126.17 1jjr h ALA 90 Ca 0.23 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1jjr h ALA 90 Cb 0.35 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jjr h ALA 90 CO -0.43 -0.21 -0.32 -0.07 0.00 0.00 0.00 179.25 178.22 1jjr h LEU 91 N 0.40 -0.75 -0.33 0.00 4.07 0.45 -2.72 115.31 116.43 1jjr h LEU 91 Ca 0.36 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.42 1jjr h LEU 91 Cb 0.50 0.19 -0.08 0.00 1.08 0.00 0.00 40.66 42.36 1jjr h LEU 91 CO -0.37 -0.38 -0.25 0.74 -1.08 0.00 0.00 178.44 177.11 1jjr h THR 92 N -1.20 0.36 -1.09 0.22 2.02 0.70 0.29 112.91 114.21 1jjr h THR 92 Ca -0.09 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.40 1jjr h THR 92 Cb 0.68 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1jjr h THR 92 CO 0.15 0.00 0.76 0.50 0.37 0.00 0.00 175.52 177.30 1jjr h LYS 93 N -0.21 0.12 -0.58 6.66 3.64 0.11 1.46 116.57 127.77 1jjr h LYS 93 Ca 0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1jjr h LYS 93 Cb 0.47 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jjr h LYS 93 CO -0.45 0.08 0.00 1.58 -2.27 0.00 0.00 179.45 178.38 1jjr n HIS 94 N -4.33 0.93 -0.66 1.91 -0.00 0.99 -4.06 115.22 109.99 1jjr n HIS 94 Ca 0.24 -0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.04 1jjr n HIS 94 Cb 1.08 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.81 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 0.73 0.00 -2.34 1.57 3.72 0.41 -5.05 117.46 116.51 1jjr n PHE 95 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1jjr n PHE 95 Cb 0.59 0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 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 4.27 0.00 -1.08 -2.07 0.35 -5.04 119.66 116.10 1jjr s GLN 96 Ca 0.00 1.80 0.32 0.00 -1.82 0.00 0.00 55.36 55.65 1jjr s GLN 96 Cb 0.00 -3.69 1.85 0.00 -1.09 0.00 0.00 33.01 30.08 1jjr s GLN 96 CO 0.00 -0.62 2.20 -0.25 -1.32 0.00 0.00 175.29 175.29