#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 1.40 0.00 -0.18 2.07 -2.07 -3.48 116.25 113.99 1jjr h VAL 45 Ca 0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1jjr h VAL 45 Cb 0.00 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1jjr h VAL 45 CO 0.00 0.55 0.00 1.21 0.02 0.00 0.00 177.57 179.35 1jjr n GLU 46 N -4.30 0.00 -2.82 1.57 2.13 -1.26 -5.07 120.64 110.90 1jjr n GLU 46 Ca -0.09 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.64 1jjr n GLU 46 Cb 0.58 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.31 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jjr n TYR 47 N -2.26 -3.17 0.05 4.31 4.01 -1.26 -4.96 117.16 113.87 1jjr n TYR 47 Ca 0.00 -1.84 -0.10 0.00 -0.16 0.00 0.00 57.90 55.80 1jjr n TYR 47 Cb 0.00 1.33 -0.07 0.00 -0.31 0.00 0.00 39.34 40.29 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 4.42 -0.18 0.00 7.72 4.64 -1.97 -3.43 113.55 124.75 1jjr h SER 48 Ca -0.04 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1jjr h SER 48 Cb 1.04 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1jjr h SER 48 CO 0.23 0.40 0.00 -1.84 -0.87 0.00 0.00 176.83 174.75 1jjr n GLU 49 N -4.90 0.00 0.16 4.77 0.28 -1.26 -4.94 120.64 114.74 1jjr n GLU 49 Ca -0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.79 1jjr n GLU 49 Cb 0.25 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.06 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 -0.55 -0.85 3.44 4.11 -1.98 1.07 114.58 119.83 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 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1jjr h GLU 50 CO 0.00 -0.36 0.56 1.49 0.07 0.00 0.00 179.01 180.77 1jjr h GLU 51 N -0.57 1.11 0.25 1.06 4.81 -1.94 -0.11 114.58 119.19 1jjr h GLU 51 Ca 0.01 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1jjr h GLU 51 Cb 0.55 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1jjr h GLU 51 CO -0.11 0.73 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.65 1jjr h LEU 52 N 1.14 -0.47 -0.51 1.64 3.38 -1.75 0.41 115.31 119.16 1jjr h LEU 52 Ca 0.31 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.41 1jjr h LEU 52 Cb -0.12 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1jjr h LEU 52 CO -0.07 -0.28 0.09 0.11 0.09 0.00 0.00 178.44 178.37 1jjr h LYS 53 N -0.43 0.21 -0.56 1.13 1.79 0.16 0.62 116.57 119.49 1jjr h LYS 53 Ca -0.02 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1jjr h LYS 53 Cb 0.38 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1jjr h LYS 53 CO 0.00 0.14 0.34 1.15 -1.08 0.00 0.00 179.45 180.00 1jjr h THR 54 N 0.22 1.06 0.04 -0.16 2.02 -0.61 0.26 112.91 115.75 1jjr h THR 54 Ca 0.26 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1jjr h THR 54 Cb 0.35 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1jjr h THR 54 CO -0.35 0.12 -0.05 0.45 0.37 0.00 0.00 175.52 176.07 1jjr h HIS 55 N 0.67 -0.12 -0.47 3.16 3.86 0.17 -2.29 115.15 120.13 1jjr h HIS 55 Ca 0.23 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.48 1jjr h HIS 55 Cb 0.02 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1jjr h HIS 55 CO -0.06 -0.08 0.22 0.82 0.86 0.00 0.00 177.93 179.69 1jjr h ILE 56 N -0.11 0.94 0.00 2.45 2.04 0.68 0.78 117.51 124.30 1jjr h ILE 56 Ca 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jjr h ILE 56 Cb 0.11 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1jjr h ILE 56 CO -0.02 0.08 0.00 -1.20 0.00 0.00 0.00 178.15 177.01 1jjr n SER 57 N -4.92 0.00 0.05 1.72 7.64 0.86 -4.04 113.62 114.94 1jjr n SER 57 Ca 0.04 0.80 -0.02 0.00 1.01 0.00 0.00 58.87 60.70 1jjr n SER 57 Cb 0.13 -0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.02 1jjr n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jjr h LYS 58 N 0.00 -0.12 0.00 1.43 1.57 -1.46 -3.48 116.57 114.51 1jjr h LYS 58 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jjr h LYS 58 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jjr h LYS 58 CO 0.00 -0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.21 1jjr n GLY 59 N -0.86 0.00 0.00 3.86 0.00 0.20 -5.04 105.19 103.35 1jjr n GLY 59 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 0.09 2.61 -2.24 -0.78 -4.30 114.28 109.67 1jjr n THR 60 Ca 0.00 -0.19 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1jjr n THR 60 Cb 0.00 0.64 0.54 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.00 0.23 -0.02 3.22 5.85 -1.89 0.11 115.31 122.81 1jjr h LEU 61 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jjr h LEU 61 Cb 0.65 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1jjr h LEU 61 CO 0.00 0.16 0.00 0.61 -0.34 0.00 0.00 178.44 178.87 1jjr n GLY 62 N -1.52 -0.98 0.10 3.75 0.00 -1.26 -3.64 105.19 101.65 1jjr n GLY 62 Ca 0.02 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1jjr n GLY 62 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jjr h LYS 63 N 0.04 0.00 -6.50 1.61 3.64 -1.03 -3.48 116.57 110.85 1jjr h LYS 63 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1jjr h LYS 63 Cb 0.01 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 31.99 1jjr h LYS 63 CO 0.00 0.97 -0.35 1.19 -2.27 0.00 0.00 179.45 178.99 1jjr n PHE 64 N -4.45 -0.54 -0.20 1.91 3.72 -1.24 -4.99 117.46 111.68 1jjr n PHE 64 Ca -0.30 0.46 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1jjr n PHE 64 Cb 0.66 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.22 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 -1.54 0.00 0.07 4.37 -2.24 -1.26 -4.76 114.28 108.91 1jjr n THR 65 Ca 0.12 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1jjr n THR 65 Cb 0.46 -1.37 -0.03 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 -0.60 0.14 -1.18 2.28 2.07 -1.94 -2.15 116.25 114.87 1jjr h VAL 66 Ca 0.00 -0.87 0.34 0.00 0.82 0.00 0.00 66.70 66.99 1jjr h VAL 66 Cb 0.00 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 1jjr h VAL 66 CO 0.00 0.04 0.88 1.55 0.02 0.00 0.00 177.57 180.06 1jjr h PRO 67 N -1.06 0.00 0.12 1.57 0.13 -1.97 0.49 132.00 131.28 1jjr h PRO 67 Ca -0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 1jjr h PRO 67 Cb 0.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.42 1jjr h PRO 67 CO 0.05 0.00 -0.75 0.52 -0.23 0.00 0.00 178.00 177.58 1jjr h MET 68 N 0.00 0.29 -0.11 0.86 2.86 -1.93 -3.11 114.93 113.80 1jjr h MET 68 Ca 0.56 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1jjr h MET 68 Cb 2.32 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 34.15 1jjr h MET 68 CO -0.01 1.22 0.06 -0.07 1.06 0.00 0.00 176.91 179.17 1jjr h LEU 69 N -0.39 0.13 -1.59 1.22 3.38 0.36 -1.96 115.31 116.45 1jjr h LEU 69 Ca -0.13 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 57.96 1jjr h LEU 69 Cb 1.58 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.24 1jjr h LEU 69 CO 0.14 0.16 0.57 0.11 0.09 0.00 0.00 178.44 179.51 1jjr h LYS 70 N 0.09 0.35 0.30 1.13 1.79 -0.38 -1.51 116.57 118.33 1jjr h LYS 70 Ca 0.04 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1jjr h LYS 70 Cb 0.06 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1jjr h LYS 70 CO -0.01 0.23 -0.32 1.49 -1.08 0.00 0.00 179.45 179.77 1jjr h GLU 71 N 0.36 -0.63 -0.51 3.15 4.22 -1.28 0.84 114.58 120.73 1jjr h GLU 71 Ca 0.43 0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.95 1jjr h GLU 71 Cb 1.13 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1jjr h GLU 71 CO -0.14 -0.42 0.27 0.00 -2.18 0.00 0.00 179.01 176.55 1jjr h ALA 72 N -0.11 0.66 -0.67 2.92 0.00 -1.23 0.61 119.26 121.45 1jjr h ALA 72 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jjr h ALA 72 Cb 0.60 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1jjr h ALA 72 CO -0.07 -0.06 0.42 0.00 0.00 0.00 0.00 179.25 179.54 1jjr h ARG 74 N 0.91 0.62 -0.24 0.00 2.43 0.15 1.01 114.38 119.27 1jjr h ARG 74 Ca 0.24 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 59.14 1jjr h ARG 74 Cb -0.05 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1jjr h ARG 74 CO -0.05 0.55 -0.54 0.00 -1.51 0.00 0.00 179.97 178.42 1jjr h ALA 75 N 1.54 0.59 0.00 2.80 0.00 -0.10 -3.12 119.26 120.97 1jjr h ALA 75 Ca 0.15 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1jjr h ALA 75 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1jjr h ALA 75 CO -0.01 0.68 -0.68 1.88 0.00 0.00 0.00 179.25 181.13 1jjr h TYR 76 N 0.54 0.00 0.00 0.00 0.05 -0.57 -3.48 116.97 113.52 1jjr h TYR 76 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1jjr h TYR 76 Cb 1.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1jjr h TYR 76 CO 0.06 0.33 0.00 0.41 -1.05 0.00 0.00 178.16 177.91 1jjr n GLY 77 N 1.23 0.91 1.69 3.88 0.00 0.32 -5.08 105.19 108.15 1jjr n GLY 77 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1jjr n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jjr n LEU 78 N 0.00 0.00 -3.24 0.99 4.77 0.38 -4.99 117.00 114.91 1jjr n LEU 78 Ca 0.00 -0.66 -0.25 0.00 -0.03 0.00 0.00 56.01 55.07 1jjr n LEU 78 Cb 0.10 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1jjr n LEU 78 CO 0.00 -0.90 -0.27 1.17 -1.33 0.00 0.00 177.39 176.07 1jjr n LYS 79 N -2.19 0.81 -0.15 3.23 0.00 -1.26 -4.72 118.16 113.87 1jjr n LYS 79 Ca 0.07 -3.35 -0.03 0.00 0.00 0.00 0.00 58.31 55.01 1jjr n LYS 79 Cb 0.25 -1.36 0.02 0.00 0.00 0.00 0.00 35.03 33.94 1jjr n LYS 79 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1jjr n SER 80 N 1.54 -0.38 0.00 3.14 7.64 -1.26 -5.08 113.62 119.22 1jjr n SER 80 Ca 0.23 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1jjr n SER 80 Cb 0.51 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1jjr n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jjr n GLY 81 N 3.37 1.78 0.00 0.23 0.00 -1.26 -5.03 105.19 104.28 1jjr n GLY 81 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -0.24 0.99 7.99 -1.26 -4.85 117.00 119.62 1jjr n LEU 82 Ca 0.00 -0.17 0.08 0.00 -0.01 0.00 0.00 56.01 55.90 1jjr n LEU 82 Cb 0.00 0.00 0.35 0.00 -0.11 0.00 0.00 43.42 43.66 1jjr n LEU 82 CO 0.00 0.17 0.74 1.17 -1.51 0.00 0.00 177.39 177.96 1jjr n LYS 83 N 0.00 1.32 0.00 3.23 3.00 -1.26 -4.95 118.16 119.50 1jjr n LYS 83 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 1jjr n LYS 83 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1jjr n LYS 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1jjr n LYS 84 N -0.24 0.00 -0.21 1.64 5.02 -1.26 -4.03 118.16 119.07 1jjr n LYS 84 Ca 0.12 0.00 0.25 0.00 -2.02 0.00 0.00 58.31 56.66 1jjr n LYS 84 Cb 0.16 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 35.81 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1jjr h GLN 85 N 0.00 0.16 -0.74 1.97 4.15 -1.93 0.17 115.11 118.88 1jjr h GLN 85 Ca 0.00 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1jjr h GLN 85 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1jjr h GLN 85 CO 0.00 0.11 0.22 1.49 -1.93 0.00 0.00 178.83 178.72 1jjr h GLU 86 N 0.16 1.16 -0.68 1.69 4.57 -1.97 -2.62 114.58 116.90 1jjr h GLU 86 Ca 0.46 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1jjr h GLU 86 Cb 1.53 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.92 1jjr h GLU 86 CO -0.09 1.00 0.40 -0.07 -1.18 0.00 0.00 179.01 179.07 1jjr h LEU 87 N 1.11 0.83 -0.26 1.64 3.38 -1.00 -2.67 115.31 118.33 1jjr h LEU 87 Ca 0.24 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1jjr h LEU 87 Cb 0.33 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1jjr h LEU 87 CO -0.01 0.66 -0.27 -0.07 0.09 0.00 0.00 178.44 178.84 1jjr h LEU 88 N 0.92 -0.87 -0.28 1.67 -0.00 -1.23 -0.26 115.31 115.26 1jjr h LEU 88 Ca 0.24 0.15 0.07 0.00 -0.00 0.00 0.00 57.88 58.34 1jjr h LEU 88 Cb -0.01 0.40 -0.07 0.00 -0.00 0.00 0.00 40.66 40.98 1jjr h LEU 88 CO -0.04 -0.30 -0.25 -0.08 -0.00 0.00 0.00 178.44 177.77 1jjr h GLU 89 N -0.27 -0.23 -0.79 1.13 4.81 -1.27 0.97 114.58 118.94 1jjr h GLU 89 Ca 0.14 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.51 1jjr h GLU 89 Cb 0.49 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 1jjr h GLU 89 CO -0.42 -0.15 0.39 0.00 -0.73 0.00 0.00 179.01 178.10 1jjr h ALA 90 N 0.82 1.13 0.57 2.92 0.00 -1.08 0.70 119.26 124.32 1jjr h ALA 90 Ca 0.15 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1jjr h ALA 90 Cb 0.47 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jjr h ALA 90 CO -0.42 -0.07 -0.28 -0.07 0.00 0.00 0.00 179.25 178.42 1jjr h LEU 91 N 0.61 -0.65 0.04 0.00 3.38 0.69 -2.26 115.31 117.11 1jjr h LEU 91 Ca 0.41 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.37 1jjr h LEU 91 Cb 0.52 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1jjr h LEU 91 CO -0.32 -0.29 -0.50 0.74 0.09 0.00 0.00 178.44 178.16 1jjr h THR 92 N -1.08 0.05 -1.20 0.22 2.02 0.14 0.15 112.91 113.21 1jjr h THR 92 Ca -0.08 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.45 1jjr h THR 92 Cb 0.65 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 1jjr h THR 92 CO 0.13 0.00 0.85 0.50 0.37 0.00 0.00 175.52 177.37 1jjr h LYS 93 N -0.67 0.08 -0.02 6.66 1.63 0.33 1.33 116.57 125.91 1jjr h LYS 93 Ca 0.02 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.66 1jjr h LYS 93 Cb 0.72 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1jjr h LYS 93 CO -0.33 0.05 -0.57 1.25 -3.45 0.00 0.00 179.45 176.40 1jjr h HIS 94 N 0.08 0.62 -0.19 1.91 2.76 -0.15 -3.25 115.15 116.92 1jjr h HIS 94 Ca 0.60 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1jjr h HIS 94 Cb 2.21 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 31.09 1jjr h HIS 94 CO -0.00 1.13 0.00 1.19 -1.30 0.00 0.00 177.93 178.95 1jjr n PHE 95 N -4.23 0.24 -2.42 5.26 3.72 0.44 -4.93 117.46 115.53 1jjr n PHE 95 Ca -0.10 -0.12 -0.39 0.00 -0.05 0.00 0.00 57.45 56.80 1jjr n PHE 95 Cb 0.65 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 1jjr n PHE 95 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1jjr s GLN 96 N -1.76 4.30 0.00 -1.08 2.00 0.43 -5.04 119.66 118.50 1jjr s GLN 96 Ca 0.34 1.75 0.32 0.00 -2.00 0.00 0.00 55.36 55.76 1jjr s GLN 96 Cb 0.19 -2.82 1.85 0.00 0.80 0.00 0.00 33.01 33.02 1jjr s GLN 96 CO 0.29 -0.08 2.19 -0.25 -0.50 0.00 0.00 175.29 176.94