#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 1.43 0.05 -0.18 0.31 -1.26 -4.10 118.33 114.58 1jjr n VAL 45 Ca 0.00 -0.25 -0.19 0.00 -0.01 0.00 0.00 64.34 63.89 1jjr n VAL 45 Cb 0.00 -1.23 -0.09 0.00 -0.91 0.00 0.00 33.84 31.60 1jjr n VAL 45 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1jjr h GLU 46 N 0.71 0.63 -0.32 5.55 4.39 -2.02 -3.41 114.58 120.10 1jjr h GLU 46 Ca 0.00 -0.70 -0.28 0.00 0.34 0.00 0.00 59.36 58.73 1jjr h GLU 46 Cb 0.93 0.20 -0.18 0.00 -0.10 0.00 0.00 28.75 29.60 1jjr h GLU 46 CO 0.00 1.29 -0.58 0.66 -1.16 0.00 0.00 179.01 179.22 1jjr n TYR 47 N -3.82 -2.72 -0.03 4.33 4.01 -1.26 -4.93 117.16 112.73 1jjr n TYR 47 Ca -0.10 -2.15 -0.15 0.00 -0.16 0.00 0.00 57.90 55.33 1jjr n TYR 47 Cb 0.89 1.28 -0.09 0.00 -0.31 0.00 0.00 39.34 41.10 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 3.69 0.40 0.00 7.72 4.64 -1.80 -3.43 113.55 124.76 1jjr h SER 48 Ca -0.10 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 1jjr h SER 48 Cb 1.03 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1jjr h SER 48 CO 0.30 0.98 0.00 -1.84 -0.87 0.00 0.00 176.83 175.40 1jjr n GLU 49 N -4.43 0.00 0.12 4.77 0.28 -1.26 -4.99 120.64 115.13 1jjr n GLU 49 Ca -0.08 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.76 1jjr n GLU 49 Cb 0.50 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.28 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 -0.69 -0.97 3.44 -0.00 -1.98 1.29 114.58 115.67 1jjr h GLU 50 Ca 0.00 0.05 0.03 0.00 -0.00 0.00 0.00 59.36 59.44 1jjr h GLU 50 Cb 0.00 0.16 -0.06 0.00 -0.00 0.00 0.00 28.75 28.85 1jjr h GLU 50 CO 0.00 -0.46 0.64 0.93 -0.00 0.00 0.00 179.01 180.11 1jjr h GLU 51 N -0.72 1.19 0.32 1.06 4.39 -1.95 -0.32 114.58 118.55 1jjr h GLU 51 Ca 0.01 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1jjr h GLU 51 Cb 0.73 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1jjr h GLU 51 CO -0.26 0.79 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.12 1jjr h LEU 52 N 1.23 -0.45 -0.54 1.33 3.38 -1.60 0.20 115.31 118.86 1jjr h LEU 52 Ca 0.38 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.45 1jjr h LEU 52 Cb -0.00 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1jjr h LEU 52 CO -0.12 -0.30 0.21 0.11 0.09 0.00 0.00 178.44 178.44 1jjr h LYS 53 N -0.47 0.39 -0.56 1.13 6.56 0.22 1.15 116.57 124.99 1jjr h LYS 53 Ca -0.04 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.56 1jjr h LYS 53 Cb 0.38 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 31.92 1jjr h LYS 53 CO 0.04 0.26 0.33 1.15 -2.06 0.00 0.00 179.45 179.18 1jjr h THR 54 N 0.40 1.05 0.33 -0.16 2.02 -0.79 0.95 112.91 116.72 1jjr h THR 54 Ca 0.26 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1jjr h THR 54 Cb 0.28 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1jjr h THR 54 CO -0.25 0.12 -0.16 0.45 0.37 0.00 0.00 175.52 176.05 1jjr h HIS 55 N 0.66 -0.42 -0.89 3.16 3.86 0.10 -2.12 115.15 119.51 1jjr h HIS 55 Ca 0.23 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 1jjr h HIS 55 Cb 0.04 0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 1jjr h HIS 55 CO -0.06 -0.21 0.56 0.82 0.86 0.00 0.00 177.93 179.90 1jjr h ILE 56 N -0.53 1.06 0.00 2.45 2.04 0.17 0.13 117.51 122.83 1jjr h ILE 56 Ca -0.05 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1jjr h ILE 56 Cb 0.40 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1jjr h ILE 56 CO 0.08 0.19 0.00 -0.24 0.00 0.00 0.00 178.15 178.17 1jjr n SER 57 N -4.59 0.00 0.03 1.72 2.88 0.33 -4.19 113.62 109.79 1jjr n SER 57 Ca 0.13 0.75 -0.01 0.00 -1.33 0.00 0.00 58.87 58.41 1jjr n SER 57 Cb 0.17 -0.25 -0.01 0.00 -0.75 0.00 0.00 64.21 63.37 1jjr n SER 57 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jjr h LYS 58 N 0.00 -0.07 0.00 -1.46 1.57 -1.40 -3.48 116.57 111.73 1jjr h LYS 58 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jjr h LYS 58 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1jjr h LYS 58 CO 0.00 -0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1jjr n GLY 59 N -0.63 0.00 0.00 3.86 0.00 0.40 -5.04 105.19 103.79 1jjr n GLY 59 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 0.30 2.61 -2.24 -0.83 -4.28 114.28 109.84 1jjr n THR 60 Ca 0.00 -0.03 0.19 0.00 -2.27 0.00 0.00 64.05 61.93 1jjr n THR 60 Cb 0.00 0.97 1.01 0.00 -2.10 0.00 0.00 70.33 70.21 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 0.00 -2.42 3.22 5.85 -1.90 0.15 115.31 120.21 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 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1jjr h LEU 61 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 1jjr n GLY 62 N -1.23 2.07 0.09 3.75 0.00 -1.26 -4.29 105.19 104.32 1jjr n GLY 62 Ca -0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 0.71 0.51 -1.17 1.61 4.81 0.52 -4.97 118.16 120.18 1jjr n LYS 63 Ca 0.19 0.45 -0.36 0.00 -0.87 0.00 0.00 58.31 57.72 1jjr n LYS 63 Cb 0.71 -1.64 0.06 0.00 0.02 0.00 0.00 35.03 34.19 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 -4.50 -1.65 -0.70 5.64 3.72 -1.25 -4.99 117.46 113.73 1jjr n PHE 64 Ca -0.21 0.30 -0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1jjr n PHE 64 Cb 0.49 -1.82 0.01 0.00 -0.94 0.00 0.00 39.48 37.23 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 -2.44 0.00 -0.01 4.37 -2.24 -1.26 -4.83 114.28 107.87 1jjr n THR 65 Ca 0.08 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.66 1jjr n THR 65 Cb 0.51 -1.33 -0.13 0.00 -2.10 0.00 0.00 70.33 67.28 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 -1.39 1.58 -0.96 2.28 2.07 -1.94 -2.51 116.25 115.38 1jjr h VAL 66 Ca -0.02 -2.21 0.23 0.00 0.82 0.00 0.00 66.70 65.51 1jjr h VAL 66 Cb 0.06 3.01 -0.08 0.00 -1.52 0.00 0.00 31.29 32.77 1jjr h VAL 66 CO 0.01 0.61 0.63 -0.65 0.02 0.00 0.00 177.57 178.20 1jjr h PRO 67 N -0.53 0.38 0.25 1.57 0.11 -1.98 0.23 132.00 132.03 1jjr h PRO 67 Ca -0.06 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.70 1jjr h PRO 67 Cb 1.22 -0.09 0.04 0.00 0.11 0.00 0.00 31.00 32.28 1jjr h PRO 67 CO 0.07 0.25 -1.44 0.52 -0.21 0.00 0.00 178.00 177.20 1jjr h MET 68 N 0.39 0.53 -0.51 1.05 2.86 -1.94 -3.31 114.93 114.01 1jjr h MET 68 Ca 0.52 -0.91 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1jjr h MET 68 Cb 1.33 0.34 -0.02 0.00 0.06 0.00 0.00 31.60 33.30 1jjr h MET 68 CO -0.21 1.43 0.32 -0.07 1.06 0.00 0.00 176.91 179.45 1jjr h LEU 69 N 0.11 0.60 -1.59 1.22 3.38 -0.55 -1.87 115.31 116.61 1jjr h LEU 69 Ca -0.25 -0.04 0.21 0.00 0.09 0.00 0.00 57.88 57.90 1jjr h LEU 69 Cb 2.14 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.68 1jjr h LEU 69 CO 0.27 0.45 0.60 0.50 0.09 0.00 0.00 178.44 180.36 1jjr h LYS 70 N 0.69 0.32 0.25 1.13 3.64 -0.74 -1.38 116.57 120.47 1jjr h LYS 70 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1jjr h LYS 70 Cb -0.05 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1jjr h LYS 70 CO -0.04 0.21 -0.25 1.49 -2.27 0.00 0.00 179.45 178.59 1jjr h GLU 71 N 0.33 -0.51 -0.15 1.90 4.57 -1.42 0.90 114.58 120.19 1jjr h GLU 71 Ca 0.46 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.71 1jjr h GLU 71 Cb 1.27 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.95 1jjr h GLU 71 CO -0.15 -0.34 -0.05 0.00 -1.18 0.00 0.00 179.01 177.29 1jjr h ALA 72 N 0.13 0.09 -0.95 2.92 0.00 -1.30 0.20 119.26 120.34 1jjr h ALA 72 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1jjr h ALA 72 Cb 0.49 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1jjr h ALA 72 CO -0.06 -0.49 0.57 0.00 0.00 0.00 0.00 179.25 179.28 1jjr h ARG 74 N 1.32 0.74 0.00 0.00 2.43 0.16 1.00 114.38 120.02 1jjr h ARG 74 Ca 0.34 -0.11 -0.20 0.00 -0.81 0.00 0.00 59.98 59.20 1jjr h ARG 74 Cb -0.06 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1jjr h ARG 74 CO -0.06 0.61 -0.98 0.00 -1.51 0.00 0.00 179.97 178.03 1jjr h ALA 75 N 1.49 0.38 0.00 2.80 0.00 -0.22 -3.27 119.26 120.44 1jjr h ALA 75 Ca 0.18 -0.89 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 1jjr h ALA 75 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jjr h ALA 75 CO -0.02 1.22 -1.06 1.88 0.00 0.00 0.00 179.25 181.27 1jjr h TYR 76 N 0.00 0.00 0.00 0.00 -1.99 -0.15 -3.48 116.97 111.35 1jjr h TYR 76 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1jjr h TYR 76 Cb 1.74 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.47 1jjr h TYR 76 CO 0.00 0.69 0.00 0.41 -0.00 0.00 0.00 178.16 179.26 1jjr n GLY 77 N 1.35 1.05 2.23 3.88 0.00 0.33 -5.06 105.19 108.97 1jjr n GLY 77 Ca -0.05 -0.40 -0.17 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 -0.02 0.99 7.99 -0.30 -5.02 117.00 120.64 1jjr n LEU 78 Ca 0.00 -0.88 0.01 0.00 -0.01 0.00 0.00 56.01 55.13 1jjr n LEU 78 Cb 0.10 -0.57 -0.14 0.00 -0.11 0.00 0.00 43.42 42.71 1jjr n LEU 78 CO 0.00 -1.02 -0.73 1.17 -1.51 0.00 0.00 177.39 175.29 1jjr n LYS 79 N -2.58 0.66 -0.49 3.23 0.00 -1.26 -4.80 118.16 112.92 1jjr n LYS 79 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 58.31 58.46 1jjr n LYS 79 Cb 0.33 -1.61 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 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 -2.60 -3.92 -3.53 3.14 3.41 -1.26 -5.00 113.62 103.87 1jjr n SER 80 Ca -0.15 0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 58.91 1jjr n SER 80 Cb 0.83 -1.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.12 1jjr n SER 80 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jjr s GLY 81 N -3.75 -0.46 0.00 5.00 0.00 -1.26 -4.89 107.32 101.96 1jjr s GLY 81 Ca 0.00 0.81 0.31 0.00 0.00 0.00 0.00 44.72 45.84 1jjr s GLY 81 CO 0.00 0.26 2.08 1.04 0.00 0.00 0.00 173.10 176.48 1jjr n LEU 82 N -0.29 0.04 -0.06 0.66 4.32 -1.26 -3.30 117.00 117.11 1jjr n LEU 82 Ca -0.10 0.20 0.12 0.00 -0.02 0.00 0.00 56.01 56.22 1jjr n LEU 82 Cb 0.62 -0.22 0.71 0.00 -1.62 0.00 0.00 43.42 42.91 1jjr n LEU 82 CO 0.11 0.01 0.96 1.17 -1.22 0.00 0.00 177.39 178.42 1jjr n LYS 83 N -1.20 1.08 0.00 3.23 4.81 -1.26 -4.93 118.16 119.89 1jjr n LYS 83 Ca 0.16 -0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1jjr n LYS 83 Cb 0.22 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.87 1jjr n LYS 83 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jjr n LYS 84 N -0.76 0.00 -0.34 1.64 4.81 -1.21 -4.03 118.16 118.27 1jjr n LYS 84 Ca 0.19 0.00 0.35 0.00 -0.87 0.00 0.00 58.31 57.98 1jjr n LYS 84 Cb 0.11 0.00 0.74 0.00 0.02 0.00 0.00 35.03 35.90 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 0.03 -0.55 1.64 5.75 -1.91 0.57 115.11 120.63 1jjr h GLN 85 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jjr h GLN 85 Cb 0.00 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1jjr h GLN 85 CO 0.00 0.02 0.35 1.49 -2.65 0.00 0.00 178.83 178.04 1jjr h GLU 86 N 0.03 0.74 -0.69 1.69 4.81 -1.88 -1.80 114.58 117.48 1jjr h GLU 86 Ca 0.59 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.75 1jjr h GLU 86 Cb 2.29 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 31.47 1jjr h GLU 86 CO -0.03 0.50 0.37 -0.07 -0.73 0.00 0.00 179.01 179.04 1jjr h LEU 87 N 0.75 0.87 -0.07 1.64 3.38 -0.09 -2.59 115.31 119.21 1jjr h LEU 87 Ca 0.20 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1jjr h LEU 87 Cb -0.06 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 1jjr h LEU 87 CO -0.04 0.73 -0.34 -0.07 0.09 0.00 0.00 178.44 178.80 1jjr h LEU 88 N 0.95 -1.05 -0.41 1.67 4.07 -1.34 -0.61 115.31 118.58 1jjr h LEU 88 Ca 0.24 0.14 0.09 0.00 0.08 0.00 0.00 57.88 58.43 1jjr h LEU 88 Cb 0.06 0.43 -0.09 0.00 1.08 0.00 0.00 40.66 42.14 1jjr h LEU 88 CO -0.04 -0.39 -0.17 -0.08 -1.08 0.00 0.00 178.44 176.69 1jjr h GLU 89 N -0.46 -0.08 -0.68 1.13 4.81 -1.35 0.96 114.58 118.91 1jjr h GLU 89 Ca 0.08 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1jjr h GLU 89 Cb 0.57 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.89 1jjr h GLU 89 CO -0.32 -0.06 0.26 0.00 -0.73 0.00 0.00 179.01 178.16 1jjr h ALA 90 N 1.24 0.91 0.51 2.92 0.00 -1.00 0.83 119.26 124.66 1jjr h ALA 90 Ca 0.20 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jjr h ALA 90 Cb 0.39 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jjr h ALA 90 CO -0.47 -0.20 -0.24 -0.07 0.00 0.00 0.00 179.25 178.27 1jjr h LEU 91 N 0.43 -0.58 -0.21 0.00 3.38 0.53 -2.83 115.31 116.03 1jjr h LEU 91 Ca 0.36 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.32 1jjr h LEU 91 Cb 0.49 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 1jjr h LEU 91 CO -0.36 -0.19 -0.33 0.74 0.09 0.00 0.00 178.44 178.39 1jjr h THR 92 N -1.05 0.26 -1.19 0.22 2.02 0.13 0.22 112.91 113.52 1jjr h THR 92 Ca -0.07 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.45 1jjr h THR 92 Cb 0.60 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 1jjr h THR 92 CO 0.11 0.00 0.85 0.11 0.37 0.00 0.00 175.52 176.96 1jjr h LYS 93 N -0.37 0.02 0.00 6.66 1.57 0.62 1.35 116.57 126.42 1jjr h LYS 93 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1jjr h LYS 93 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1jjr h LYS 93 CO -0.41 0.01 0.00 1.25 -0.57 0.00 0.00 179.45 179.73 1jjr h HIS 94 N 0.02 0.00 -0.09 -1.35 2.76 -0.29 -3.33 115.15 112.87 1jjr h HIS 94 Ca 0.57 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.56 1jjr h HIS 94 Cb 2.24 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 30.90 1jjr h HIS 94 CO -0.00 0.00 -0.78 1.19 -1.30 0.00 0.00 177.93 177.04 1jjr n PHE 95 N -2.44 0.02 -2.28 5.26 3.72 0.35 -5.09 117.46 116.99 1jjr n PHE 95 Ca 0.04 -0.96 -0.43 0.00 -0.05 0.00 0.00 57.45 56.05 1jjr n PHE 95 Cb 0.40 0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.74 4.09 0.00 -1.08 2.00 0.38 -4.97 119.66 119.33 1jjr s GLN 96 Ca 0.21 1.70 0.00 0.00 -2.00 0.00 0.00 55.36 55.28 1jjr s GLN 96 Cb 0.29 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 30.22 1jjr s GLN 96 CO -0.10 -0.91 0.00 -0.25 -0.50 0.00 0.00 175.29 173.53