#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 0.07 3.15 0.31 -1.26 -5.00 118.33 115.60 1jjr n VAL 45 Ca 0.00 -1.19 -0.12 0.00 -0.01 0.00 0.00 64.34 63.02 1jjr n VAL 45 Cb 0.00 1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 34.08 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 4.64 0.36 -3.33 5.55 5.08 -2.00 -3.35 114.58 121.53 1jjr h GLU 46 Ca -0.02 -0.38 -0.70 0.00 -1.00 0.00 0.00 59.36 57.27 1jjr h GLU 46 Cb 1.08 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1jjr h GLU 46 CO 0.13 1.06 3.35 0.66 -1.00 0.00 0.00 179.01 183.20 1jjr n TYR 47 N -3.74 2.85 -0.03 4.33 4.01 -1.26 -4.59 117.16 118.73 1jjr n TYR 47 Ca -0.06 -3.01 -0.15 0.00 -0.16 0.00 0.00 57.90 54.52 1jjr n TYR 47 Cb 0.82 -2.41 -0.10 0.00 -0.31 0.00 0.00 39.34 37.33 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 5.35 0.31 0.00 7.72 4.64 -1.96 -3.42 113.55 126.18 1jjr h SER 48 Ca 0.72 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jjr h SER 48 Cb 0.43 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jjr h SER 48 CO 1.78 0.95 0.00 1.21 -0.87 0.00 0.00 176.83 179.90 1jjr n GLU 49 N -4.48 0.00 0.16 4.77 2.13 -1.26 -4.99 120.64 116.97 1jjr n GLU 49 Ca -0.09 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.59 1jjr n GLU 49 Cb 0.49 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.13 1jjr n GLU 49 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1jjr h GLU 50 N 0.00 -0.60 -0.92 5.31 -0.00 -1.93 1.14 114.58 117.59 1jjr h GLU 50 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 59.36 59.42 1jjr h GLU 50 Cb 0.00 0.14 -0.05 0.00 -0.00 0.00 0.00 28.75 28.84 1jjr h GLU 50 CO 0.00 -0.40 0.61 1.49 -0.00 0.00 0.00 179.01 180.71 1jjr h GLU 51 N -0.62 1.19 0.24 1.06 4.81 -1.95 -0.32 114.58 118.99 1jjr h GLU 51 Ca 0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1jjr h GLU 51 Cb 0.61 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1jjr h GLU 51 CO -0.14 0.79 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.72 1jjr h LEU 52 N 1.23 -0.36 -0.56 1.64 3.38 -1.69 0.26 115.31 119.20 1jjr h LEU 52 Ca 0.34 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.42 1jjr h LEU 52 Cb -0.11 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1jjr h LEU 52 CO -0.08 -0.24 0.18 0.11 0.09 0.00 0.00 178.44 178.50 1jjr h LYS 53 N -0.37 0.33 -0.66 1.13 1.79 0.18 0.67 116.57 119.65 1jjr h LYS 53 Ca -0.02 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1jjr h LYS 53 Cb 0.31 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 1jjr h LYS 53 CO 0.02 0.22 0.43 1.15 -1.08 0.00 0.00 179.45 180.19 1jjr h THR 54 N 0.34 1.14 0.16 -0.16 2.02 -0.70 0.35 112.91 116.07 1jjr h THR 54 Ca 0.28 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1jjr h THR 54 Cb 0.35 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1jjr h THR 54 CO -0.31 0.16 -0.08 0.45 0.37 0.00 0.00 175.52 176.11 1jjr h HIS 55 N 0.86 -0.20 -0.56 3.16 3.86 0.16 -0.09 115.15 122.35 1jjr h HIS 55 Ca 0.25 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 1jjr h HIS 55 Cb -0.06 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1jjr h HIS 55 CO -0.03 -0.11 0.33 0.97 0.86 0.00 0.00 177.93 179.95 1jjr h ILE 56 N -0.24 1.05 0.44 2.45 2.10 0.71 1.12 117.51 125.14 1jjr h ILE 56 Ca -0.02 -0.22 -0.02 0.00 1.08 0.00 0.00 64.86 65.68 1jjr h ILE 56 Cb 0.19 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 36.25 1jjr h ILE 56 CO 0.04 0.12 -0.33 0.28 -1.08 0.00 0.00 178.15 177.18 1jjr h SER 57 N 0.65 -0.87 0.05 2.19 0.02 -0.04 -3.21 113.55 112.35 1jjr h SER 57 Ca 0.23 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1jjr h SER 57 Cb 0.03 0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1jjr h SER 57 CO -0.10 -0.47 -0.02 0.11 -1.14 0.00 0.00 176.83 175.20 1jjr h LYS 58 N -0.74 -0.06 0.00 3.45 6.56 -0.94 -3.48 116.57 121.36 1jjr h LYS 58 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1jjr h LYS 58 Cb 0.61 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1jjr h LYS 58 CO 0.02 0.06 0.00 0.41 -2.06 0.00 0.00 179.45 177.88 1jjr n GLY 59 N -0.82 1.83 0.95 3.86 0.00 0.38 -5.02 105.19 106.38 1jjr n GLY 59 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.43 0.11 0.27 2.61 -2.24 -0.69 -4.36 114.28 109.55 1jjr n THR 60 Ca 0.00 -0.55 0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1jjr n THR 60 Cb 0.00 1.37 0.82 0.00 -2.10 0.00 0.00 70.33 70.42 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 4.42 0.00 -2.03 3.22 5.85 -1.90 0.13 115.31 125.01 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 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 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 -1.40 1.60 0.11 3.75 0.00 -1.26 -4.21 105.19 103.77 1jjr n GLY 62 Ca -0.02 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 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 0.76 0.55 -0.99 1.61 4.76 0.03 -4.97 118.16 119.93 1jjr n LYS 63 Ca 0.17 0.52 -0.35 0.00 -2.87 0.00 0.00 58.31 55.77 1jjr n LYS 63 Cb 0.54 -1.70 0.07 0.00 -1.84 0.00 0.00 35.03 32.11 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1jjr n PHE 64 N -4.43 -2.81 -0.50 2.13 3.72 -1.25 -4.98 117.46 109.34 1jjr n PHE 64 Ca -0.32 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1jjr n PHE 64 Cb 0.65 -1.67 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 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 -2.82 0.00 0.04 4.37 -2.24 -1.26 -4.82 114.28 107.54 1jjr n THR 65 Ca 0.04 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.78 1jjr n THR 65 Cb 0.53 -1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.14 0.07 -1.31 2.28 2.07 -1.91 -2.63 116.25 113.68 1jjr h VAL 66 Ca 0.00 -0.89 0.38 0.00 0.82 0.00 0.00 66.70 67.02 1jjr h VAL 66 Cb 0.00 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 1jjr h VAL 66 CO 0.00 0.02 0.97 1.55 0.02 0.00 0.00 177.57 180.13 1jjr h PRO 67 N -1.05 0.00 0.11 1.57 0.13 -1.95 0.52 132.00 131.33 1jjr h PRO 67 Ca -0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.94 1jjr h PRO 67 Cb 0.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.35 1jjr h PRO 67 CO 0.04 0.00 -0.74 0.52 -0.23 0.00 0.00 178.00 177.58 1jjr h MET 68 N 0.00 0.31 0.44 0.86 2.86 -1.94 -3.16 114.93 114.30 1jjr h MET 68 Ca 0.62 -0.48 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1jjr h MET 68 Cb 2.55 0.17 0.00 0.00 0.06 0.00 0.00 31.60 34.39 1jjr h MET 68 CO -0.01 1.21 -0.21 -0.07 1.06 0.00 0.00 176.91 178.89 1jjr h LEU 69 N -0.35 -0.50 -1.91 1.22 3.38 0.20 -2.74 115.31 114.62 1jjr h LEU 69 Ca -0.12 -0.09 0.19 0.00 0.09 0.00 0.00 57.88 57.95 1jjr h LEU 69 Cb 1.56 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 1jjr h LEU 69 CO 0.14 -0.19 0.58 0.07 0.09 0.00 0.00 178.44 179.14 1jjr h LYS 70 N -0.83 0.00 0.15 1.13 2.10 -0.54 -0.41 116.57 118.18 1jjr h LYS 70 Ca -0.06 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1jjr h LYS 70 Cb 0.56 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1jjr h LYS 70 CO 0.10 0.00 -0.17 1.49 -2.00 0.00 0.00 179.45 178.86 1jjr h GLU 71 N 0.00 -0.35 -0.21 0.07 4.57 -1.44 1.08 114.58 118.29 1jjr h GLU 71 Ca 0.31 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.52 1jjr h GLU 71 Cb 1.47 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 30.12 1jjr h GLU 71 CO -0.00 -0.24 0.10 0.00 -1.18 0.00 0.00 179.01 177.69 1jjr h ALA 72 N 0.43 0.25 -0.86 2.92 0.00 -1.11 -0.64 119.26 120.26 1jjr h ALA 72 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jjr h ALA 72 Cb 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1jjr h ALA 72 CO -0.06 -0.31 0.49 0.00 0.00 0.00 0.00 179.25 179.36 1jjr h ARG 74 N 1.19 0.78 -0.15 0.00 1.12 0.18 1.02 114.38 118.51 1jjr h ARG 74 Ca 0.30 -0.10 -0.10 0.00 -1.11 0.00 0.00 59.98 58.98 1jjr h ARG 74 Cb 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1jjr h ARG 74 CO -0.05 0.61 -0.28 0.00 -3.11 0.00 0.00 179.97 177.14 1jjr h ALA 75 N 1.51 0.24 -0.33 2.80 0.00 -0.47 -3.05 119.26 119.96 1jjr h ALA 75 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jjr h ALA 75 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jjr h ALA 75 CO -0.03 0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.13 1jjr n TYR 76 N -4.41 0.44 -3.78 0.00 4.01 -0.43 -4.92 117.16 108.07 1jjr n TYR 76 Ca -0.06 -0.22 -0.25 0.00 -0.16 0.00 0.00 57.90 57.20 1jjr n TYR 76 Cb 0.46 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.52 1jjr n TYR 76 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jjr n GLY 77 N 1.02 -0.41 3.14 2.72 0.00 0.20 -4.98 105.19 106.87 1jjr n GLY 77 Ca 0.11 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.52 0.00 -0.11 0.99 7.99 0.29 -4.99 117.00 116.65 1jjr n LEU 78 Ca -0.12 -1.24 -0.22 0.00 -0.01 0.00 0.00 56.01 54.41 1jjr n LEU 78 Cb 0.60 -0.80 -0.12 0.00 -0.11 0.00 0.00 43.42 43.00 1jjr n LEU 78 CO 0.71 -1.23 -1.21 1.17 -1.51 0.00 0.00 177.39 175.32 1jjr n LYS 79 N -3.21 0.64 0.00 3.23 0.00 -1.26 -4.81 118.16 112.75 1jjr n LYS 79 Ca 0.14 0.24 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1jjr n LYS 79 Cb 0.47 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.94 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 -3.70 -1.34 0.00 3.14 3.41 -1.26 -4.98 113.62 108.89 1jjr n SER 80 Ca -0.45 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1jjr n SER 80 Cb 0.94 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 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 2.84 0.00 5.00 0.00 -1.26 -4.79 105.19 106.98 1jjr n GLY 81 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.01 0.99 -0.00 -1.26 -4.98 117.00 111.77 1jjr n LEU 82 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 1jjr n LEU 82 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 1jjr n LEU 82 CO 0.00 0.00 0.08 0.11 -0.00 0.00 0.00 177.39 177.58 1jjr h LYS 83 N 0.00 -0.08 0.00 1.47 6.56 -2.00 -3.47 116.57 119.05 1jjr h LYS 83 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1jjr h LYS 83 Cb 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1jjr h LYS 83 CO 0.00 -0.05 0.00 0.36 -2.06 0.00 0.00 179.45 177.70 1jjr n LYS 84 N -3.18 0.00 -0.36 3.15 2.85 -1.26 -4.64 118.16 114.72 1jjr n LYS 84 Ca -0.01 0.00 0.29 0.00 -1.05 0.00 0.00 58.31 57.54 1jjr n LYS 84 Cb 0.03 0.00 0.60 0.00 -0.65 0.00 0.00 35.03 35.01 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 0.22 -0.55 -1.58 4.15 -1.96 0.36 115.11 115.75 1jjr h GLN 85 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1jjr h GLN 85 Cb 0.00 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1jjr h GLN 85 CO 0.00 0.15 0.36 0.93 -1.93 0.00 0.00 178.83 178.34 1jjr h GLU 86 N 0.23 0.72 -0.62 1.69 4.39 -1.94 -1.96 114.58 117.09 1jjr h GLU 86 Ca 0.65 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.29 1jjr h GLU 86 Cb 1.97 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 30.43 1jjr h GLU 86 CO -0.26 0.48 0.33 -0.07 -1.16 0.00 0.00 179.01 178.32 1jjr h LEU 87 N 0.74 0.79 -0.41 1.33 3.38 -0.60 -2.60 115.31 117.93 1jjr h LEU 87 Ca 0.20 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1jjr h LEU 87 Cb -0.08 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.38 1jjr h LEU 87 CO -0.05 0.67 -0.16 -0.07 0.09 0.00 0.00 178.44 178.92 1jjr h LEU 88 N 0.85 -0.55 -0.19 1.67 3.38 -0.90 -0.53 115.31 119.03 1jjr h LEU 88 Ca 0.22 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.39 1jjr h LEU 88 Cb 0.06 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1jjr h LEU 88 CO -0.03 -0.19 -0.31 -0.33 0.09 0.00 0.00 178.44 177.67 1jjr h GLU 89 N -0.07 -0.34 -0.75 1.13 5.08 -0.99 1.47 114.58 120.11 1jjr h GLU 89 Ca 0.20 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1jjr h GLU 89 Cb 0.38 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1jjr h GLU 89 CO -0.47 -0.22 0.40 0.00 -1.00 0.00 0.00 179.01 177.72 1jjr h ALA 90 N 0.53 1.04 -0.04 3.43 0.00 -1.16 0.96 119.26 124.02 1jjr h ALA 90 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1jjr h ALA 90 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jjr h ALA 90 CO -0.38 0.02 -0.03 -0.07 0.00 0.00 0.00 179.25 178.78 1jjr h LEU 91 N 0.68 0.10 0.22 0.00 3.38 0.02 -2.95 115.31 116.76 1jjr h LEU 91 Ca 0.36 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1jjr h LEU 91 Cb 0.34 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jjr h LEU 91 CO -0.25 0.53 -0.46 0.74 0.09 0.00 0.00 178.44 179.10 1jjr h THR 92 N -0.33 0.00 -0.93 0.22 2.02 0.25 -0.03 112.91 114.11 1jjr h THR 92 Ca 0.01 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.46 1jjr h THR 92 Cb 0.50 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1jjr h THR 92 CO 0.01 0.00 0.76 0.07 0.37 0.00 0.00 175.52 176.73 1jjr h LYS 93 N -0.74 0.00 0.00 6.66 5.09 -0.92 1.27 116.57 127.94 1jjr h LYS 93 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.67 1jjr h LYS 93 Cb 0.70 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.02 1jjr h LYS 93 CO -0.19 0.00 -0.23 1.25 -2.09 0.00 0.00 179.45 178.19 1jjr h HIS 94 N 0.00 0.00 -0.43 0.07 2.76 -0.82 -3.34 115.15 113.38 1jjr h HIS 94 Ca 0.44 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.35 1jjr h HIS 94 Cb 1.96 0.00 -0.30 0.00 1.55 0.00 0.00 27.41 30.62 1jjr h HIS 94 CO 0.00 0.23 -0.82 0.34 -1.30 0.00 0.00 177.93 176.38 1jjr n PHE 95 N -3.34 -0.20 -3.13 5.26 -0.00 0.36 -5.04 117.46 111.36 1jjr n PHE 95 Ca 0.01 -2.21 0.04 0.00 -0.00 0.00 0.00 57.45 55.29 1jjr n PHE 95 Cb 0.46 0.46 -0.00 0.00 -0.00 0.00 0.00 39.48 40.40 1jjr n PHE 95 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1jjr s GLN 96 N -2.00 0.37 0.00 -4.13 0.74 0.32 -4.92 119.66 110.04 1jjr s GLN 96 Ca 0.22 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.93 1jjr s GLN 96 Cb 0.40 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.66 1jjr s GLN 96 CO -0.04 -0.67 0.00 -0.25 -0.55 0.00 0.00 175.29 173.77