#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 -0.17 0.08 0.58 3.14 -1.26 -4.77 118.33 115.93 1jjr n VAL 45 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1jjr n VAL 45 Cb 0.00 -0.50 -0.02 0.00 -1.06 0.00 0.00 33.84 32.26 1jjr n VAL 45 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1jjr h GLU 46 N -0.03 0.28 -5.78 1.45 4.39 -2.03 -3.48 114.58 109.37 1jjr h GLU 46 Ca -0.09 -0.30 -0.37 0.00 0.34 0.00 0.00 59.36 58.94 1jjr h GLU 46 Cb 1.07 0.09 0.14 0.00 -0.10 0.00 0.00 28.75 29.94 1jjr h GLU 46 CO 0.12 1.01 -0.75 0.66 -1.16 0.00 0.00 179.01 178.89 1jjr n TYR 47 N -3.69 -2.39 -0.05 4.33 4.01 -1.26 -4.88 117.16 113.23 1jjr n TYR 47 Ca -0.05 0.95 -0.15 0.00 -0.16 0.00 0.00 57.90 58.50 1jjr n TYR 47 Cb 0.82 -4.96 -0.07 0.00 -0.31 0.00 0.00 39.34 34.82 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 -2.16 0.70 0.00 7.72 4.64 -1.96 -3.44 113.55 119.05 1jjr h SER 48 Ca -0.59 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.16 1jjr h SER 48 Cb 1.35 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1jjr h SER 48 CO 0.53 1.15 0.00 -0.62 -0.87 0.00 0.00 176.83 177.03 1jjr n GLU 49 N -4.21 0.00 0.17 4.77 1.02 -1.26 -4.94 120.64 116.18 1jjr n GLU 49 Ca -0.06 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.93 1jjr n GLU 49 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.92 1jjr n GLU 49 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1jjr h GLU 50 N 0.00 -0.62 -0.98 3.49 4.11 -1.99 1.08 114.58 119.68 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 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1jjr h GLU 50 CO 0.00 -0.41 0.65 1.49 0.07 0.00 0.00 179.01 180.80 1jjr h GLU 51 N -0.64 1.28 0.17 1.06 4.57 -1.95 -0.42 114.58 118.65 1jjr h GLU 51 Ca 0.00 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1jjr h GLU 51 Cb 0.63 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1jjr h GLU 51 CO -0.14 0.85 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.39 1jjr h LEU 52 N 1.32 -0.21 -0.45 1.64 3.38 -1.72 0.17 115.31 119.45 1jjr h LEU 52 Ca 0.36 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.41 1jjr h LEU 52 Cb -0.15 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1jjr h LEU 52 CO -0.08 -0.14 0.08 0.11 0.09 0.00 0.00 178.44 178.50 1jjr h LYS 53 N -0.24 0.20 -0.77 1.13 1.79 0.17 0.28 116.57 119.13 1jjr h LYS 53 Ca -0.02 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1jjr h LYS 53 Cb 0.18 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.74 1jjr h LYS 53 CO 0.03 0.13 0.48 1.15 -1.08 0.00 0.00 179.45 180.17 1jjr h THR 54 N 0.21 1.06 -0.09 -0.16 2.02 -0.75 0.99 112.91 116.19 1jjr h THR 54 Ca 0.22 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1jjr h THR 54 Cb 0.29 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1jjr h THR 54 CO -0.30 0.16 0.04 0.45 0.37 0.00 0.00 175.52 176.25 1jjr h HIS 55 N 0.90 0.08 -0.28 3.16 3.86 0.11 -1.66 115.15 121.33 1jjr h HIS 55 Ca 0.33 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.57 1jjr h HIS 55 Cb 0.10 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1jjr h HIS 55 CO -0.04 0.05 0.08 0.82 0.86 0.00 0.00 177.93 179.70 1jjr h ILE 56 N 0.10 0.91 0.25 2.45 2.04 0.25 0.41 117.51 123.91 1jjr h ILE 56 Ca 0.04 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jjr h ILE 56 Cb 0.01 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1jjr h ILE 56 CO -0.03 0.04 -0.34 0.28 0.00 0.00 0.00 178.15 178.10 1jjr h SER 57 N 0.20 -0.95 -0.34 1.72 0.02 -0.54 -3.07 113.55 110.59 1jjr h SER 57 Ca 0.12 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1jjr h SER 57 Cb 0.11 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1jjr h SER 57 CO -0.14 -0.42 0.21 0.11 -1.14 0.00 0.00 176.83 175.45 1jjr h LYS 58 N -0.61 0.46 0.00 3.45 1.57 -1.27 -3.47 116.57 116.70 1jjr h LYS 58 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jjr h LYS 58 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1jjr h LYS 58 CO -0.09 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.55 1jjr n GLY 59 N -1.07 1.86 0.13 3.86 0.00 0.13 -5.01 105.19 105.09 1jjr n GLY 59 Ca -0.01 0.00 0.11 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 -0.29 0.00 0.21 2.61 -2.24 -0.34 -4.21 114.28 110.02 1jjr n THR 60 Ca 0.00 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1jjr n THR 60 Cb 0.00 0.91 0.68 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.66 0.00 -0.75 3.22 7.12 -1.82 0.13 115.31 123.86 1jjr h LEU 61 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1jjr h LEU 61 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1jjr h LEU 61 CO 0.00 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.92 1jjr n GLY 62 N -1.53 0.01 0.13 3.75 0.00 -1.26 -3.81 105.19 102.48 1jjr n GLY 62 Ca -0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 0.05 0.69 -1.43 1.61 4.81 0.45 -4.96 118.16 119.39 1jjr n LYS 63 Ca 0.06 0.22 -0.43 0.00 -0.87 0.00 0.00 58.31 57.29 1jjr n LYS 63 Cb 0.18 -1.61 -0.00 0.00 0.02 0.00 0.00 35.03 33.62 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 -3.43 -0.64 -0.83 5.64 3.72 -1.25 -4.98 117.46 115.69 1jjr n PHE 64 Ca -0.40 0.66 -0.05 0.00 -0.05 0.00 0.00 57.45 57.61 1jjr n PHE 64 Cb 1.00 -1.97 0.04 0.00 -0.94 0.00 0.00 39.48 37.61 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 -0.70 0.00 -0.01 4.37 -2.24 -1.26 -4.80 114.28 109.64 1jjr n THR 65 Ca 0.12 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 1jjr n THR 65 Cb 0.37 -1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 67.07 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 -1.46 1.52 -0.03 2.28 2.07 -1.94 -1.99 116.25 116.70 1jjr h VAL 66 Ca -0.07 -2.11 -0.00 0.00 0.82 0.00 0.00 66.70 65.33 1jjr h VAL 66 Cb 0.21 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1jjr h VAL 66 CO 0.05 0.59 -0.00 -0.65 0.02 0.00 0.00 177.57 177.58 1jjr h PRO 67 N -0.39 0.04 0.22 1.57 0.11 -2.01 -1.21 132.00 130.32 1jjr h PRO 67 Ca -0.06 -0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.71 1jjr h PRO 67 Cb 1.20 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.33 1jjr h PRO 67 CO 0.08 0.05 -1.52 0.52 -0.21 0.00 0.00 178.00 176.92 1jjr h MET 68 N 0.04 0.47 -0.86 1.05 2.86 -1.94 -3.33 114.93 113.22 1jjr h MET 68 Ca 0.01 -0.80 -0.01 0.00 -2.06 0.00 0.00 59.70 56.85 1jjr h MET 68 Cb 0.03 0.30 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 1jjr h MET 68 CO 0.00 1.38 0.51 -0.07 1.06 0.00 0.00 176.91 179.78 1jjr h LEU 69 N 0.13 1.04 -0.88 1.22 3.38 -0.76 -2.52 115.31 116.92 1jjr h LEU 69 Ca -0.26 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 57.78 1jjr h LEU 69 Cb 2.13 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 42.52 1jjr h LEU 69 CO 0.24 0.80 0.48 0.11 0.09 0.00 0.00 178.44 180.16 1jjr h LYS 70 N 1.18 0.66 0.11 1.13 1.79 -1.35 -1.93 116.57 118.16 1jjr h LYS 70 Ca 0.31 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1jjr h LYS 70 Cb -0.03 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.44 1jjr h LYS 70 CO -0.06 0.43 -0.21 0.93 -1.08 0.00 0.00 179.45 179.47 1jjr h GLU 71 N 0.68 -0.38 -0.16 3.15 3.07 -1.57 0.25 114.58 119.61 1jjr h GLU 71 Ca 0.48 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.40 1jjr h GLU 71 Cb 0.67 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1jjr h GLU 71 CO -0.35 -0.25 -0.06 0.00 -1.40 0.00 0.00 179.01 176.94 1jjr h ALA 72 N 0.40 0.07 -0.76 3.43 0.00 -1.39 -0.21 119.26 120.81 1jjr h ALA 72 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jjr h ALA 72 Cb 0.41 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1jjr h ALA 72 CO -0.11 -0.50 0.50 0.00 0.00 0.00 0.00 179.25 179.14 1jjr h ARG 74 N 1.00 0.95 0.00 0.00 2.47 0.55 0.86 114.38 120.21 1jjr h ARG 74 Ca 0.29 -0.14 -0.15 0.00 -1.26 0.00 0.00 59.98 58.71 1jjr h ARG 74 Cb -0.06 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.07 1jjr h ARG 74 CO -0.07 0.76 -0.71 0.00 0.56 0.00 0.00 179.97 180.51 1jjr h ALA 75 N 1.37 0.62 0.18 0.04 0.00 0.22 -3.28 119.26 118.41 1jjr h ALA 75 Ca 0.23 -0.65 -0.32 0.00 0.00 0.00 0.00 54.91 54.17 1jjr h ALA 75 Cb 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jjr h ALA 75 CO -0.02 0.89 -1.50 1.88 0.00 0.00 0.00 179.25 180.50 1jjr h TYR 76 N 0.00 0.71 0.00 0.00 -1.99 0.08 -3.49 116.97 112.29 1jjr h TYR 76 Ca -0.01 -0.52 0.00 0.00 2.00 0.00 0.00 58.73 60.20 1jjr h TYR 76 Cb 1.44 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.15 1jjr h TYR 76 CO 0.00 1.49 0.00 0.41 -0.00 0.00 0.00 178.16 180.06 1jjr n GLY 77 N 1.70 1.03 0.00 3.88 0.00 0.29 -5.07 105.19 107.02 1jjr n GLY 77 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.10 0.99 4.77 -0.94 -5.04 117.00 116.69 1jjr n LEU 78 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1jjr n LEU 78 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1jjr n LEU 78 CO 0.00 -0.34 -1.13 2.29 -1.33 0.00 0.00 177.39 176.88 1jjr n LYS 79 N -0.67 0.65 -1.69 3.23 2.85 -1.26 -4.85 118.16 116.41 1jjr n LYS 79 Ca 0.00 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 1jjr n LYS 79 Cb 0.00 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 1jjr n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1jjr n SER 80 N -3.72 -8.35 0.00 -5.58 3.41 -1.26 -5.05 113.62 93.07 1jjr n SER 80 Ca -0.43 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1jjr n SER 80 Cb 0.94 -4.94 0.00 0.00 -0.26 0.00 0.00 64.21 59.95 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 -0.72 0.27 5.00 5.00 0.00 -1.26 -5.05 105.19 108.43 1jjr n GLY 81 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.51 0.99 4.32 -1.26 -4.35 117.00 113.19 1jjr n LEU 82 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1jjr n LEU 82 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1jjr n LEU 82 CO 0.00 0.00 0.53 -0.75 -1.22 0.00 0.00 177.39 175.95 1jjr s LYS 83 N 0.00 0.97 0.19 3.23 2.20 -1.26 -5.03 119.74 120.05 1jjr s LYS 83 Ca 0.00 0.04 -0.21 0.00 -0.36 0.00 0.00 55.97 55.44 1jjr s LYS 83 Cb 0.00 0.46 0.13 0.00 -1.51 0.00 0.00 37.83 36.91 1jjr s LYS 83 CO 0.00 -0.34 1.57 1.57 -0.36 0.00 0.00 175.35 177.79 1jjr h LYS 84 N 2.62 -0.13 -0.89 4.03 2.10 -1.94 0.40 116.57 122.76 1jjr h LYS 84 Ca -0.26 0.01 0.24 0.00 -2.00 0.00 0.00 60.65 58.64 1jjr h LYS 84 Cb 1.19 0.03 -0.14 0.00 -0.90 0.00 0.00 32.23 32.41 1jjr h LYS 84 CO 0.36 -0.09 0.31 0.37 -2.00 0.00 0.00 179.45 178.40 1jjr h GLN 85 N -0.14 0.26 -0.74 0.07 4.15 -1.92 1.05 115.11 117.83 1jjr h GLN 85 Ca 0.25 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1jjr h GLN 85 Cb 0.56 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1jjr h GLN 85 CO -0.75 0.17 0.45 1.49 -1.93 0.00 0.00 178.83 178.26 1jjr h GLU 86 N 0.27 1.01 0.37 1.69 4.57 -0.52 1.00 114.58 122.97 1jjr h GLU 86 Ca 0.57 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.63 1jjr h GLU 86 Cb 1.14 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1jjr h GLU 86 CO -0.61 0.72 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.68 1jjr h LEU 87 N 1.02 -0.43 -0.19 1.64 3.38 0.19 0.41 115.31 121.34 1jjr h LEU 87 Ca 0.27 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1jjr h LEU 87 Cb -0.03 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1jjr h LEU 87 CO -0.05 -0.20 -0.17 -0.07 0.09 0.00 0.00 178.44 178.04 1jjr h LEU 88 N -0.64 -0.55 -0.34 1.67 3.38 0.40 -0.68 115.31 118.55 1jjr h LEU 88 Ca -0.05 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1jjr h LEU 88 Cb 0.46 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1jjr h LEU 88 CO 0.08 -0.22 -0.02 -0.08 0.09 0.00 0.00 178.44 178.30 1jjr h GLU 89 N -0.19 0.08 -0.85 1.13 4.81 0.12 0.17 114.58 119.85 1jjr h GLU 89 Ca 0.12 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.49 1jjr h GLU 89 Cb 0.36 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 1jjr h GLU 89 CO -0.30 0.05 0.42 0.00 -0.73 0.00 0.00 179.01 178.45 1jjr h ALA 90 N 1.30 1.27 0.58 2.92 0.00 0.68 0.93 119.26 126.94 1jjr h ALA 90 Ca 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1jjr h ALA 90 Cb 0.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jjr h ALA 90 CO -0.29 -0.12 -0.28 -0.07 0.00 0.00 0.00 179.25 178.49 1jjr h LEU 91 N 0.59 -0.66 -0.16 0.00 3.38 0.31 -2.14 115.31 116.63 1jjr h LEU 91 Ca 0.47 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.50 1jjr h LEU 91 Cb 0.68 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1jjr h LEU 91 CO -0.38 -0.38 -0.44 0.74 0.09 0.00 0.00 178.44 178.07 1jjr h THR 92 N -0.97 0.12 -1.27 0.22 2.02 -0.23 0.27 112.91 113.07 1jjr h THR 92 Ca -0.08 0.00 0.37 0.00 0.77 0.00 0.00 66.41 67.47 1jjr h THR 92 Cb 0.60 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.07 1jjr h THR 92 CO 0.13 0.00 0.90 0.50 0.37 0.00 0.00 175.52 177.43 1jjr h LYS 93 N -0.49 0.04 0.21 6.66 3.64 0.82 1.35 116.57 128.79 1jjr h LYS 93 Ca 0.08 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1jjr h LYS 93 Cb 0.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1jjr h LYS 93 CO -0.42 0.02 -0.10 1.25 -2.27 0.00 0.00 179.45 177.93 1jjr h HIS 94 N 0.04 -0.26 -0.00 1.91 2.76 0.23 -3.24 115.15 116.59 1jjr h HIS 94 Ca 0.62 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 1jjr h HIS 94 Cb 2.38 0.09 0.00 0.00 1.55 0.00 0.00 27.41 31.43 1jjr h HIS 94 CO -0.00 0.04 -0.54 1.19 -1.30 0.00 0.00 177.93 177.33 1jjr n PHE 95 N -5.09 0.00 -1.06 5.26 3.72 -0.12 -4.58 117.46 115.60 1jjr n PHE 95 Ca -0.09 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.98 1jjr n PHE 95 Cb 0.23 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1jjr n PHE 95 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1jjr n GLN 96 N -1.47 2.23 -0.40 -1.08 7.27 0.45 -5.09 117.38 119.28 1jjr n GLN 96 Ca 0.06 -1.81 0.00 0.00 0.07 0.00 0.00 57.00 55.31 1jjr n GLN 96 Cb 0.34 -2.74 0.00 0.00 2.41 0.00 0.00 30.24 30.25 1jjr n GLN 96 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88