#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjr s VAL 45 N 0.00 -0.98 -1.32 0.58 1.01 -1.26 -4.99 120.40 113.44 1jjr s VAL 45 Ca 0.00 -0.58 0.23 0.00 0.00 0.00 0.00 61.98 61.63 1jjr s VAL 45 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 36.38 36.73 1jjr s VAL 45 CO 0.00 0.00 1.75 -0.62 0.00 0.00 0.00 175.10 176.23 1jjr n GLU 46 N 3.52 0.25 -2.83 2.72 4.71 -1.26 -4.91 120.64 122.83 1jjr n GLU 46 Ca 0.15 0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 57.27 1jjr n GLU 46 Cb 0.57 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.55 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1jjr n TYR 47 N -1.34 -1.71 0.04 -0.32 4.01 -1.26 -4.73 117.16 111.84 1jjr n TYR 47 Ca 0.10 0.63 -0.12 0.00 -0.16 0.00 0.00 57.90 58.35 1jjr n TYR 47 Cb 0.20 -3.83 -0.09 0.00 -0.31 0.00 0.00 39.34 35.32 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 -0.95 -0.14 0.00 7.72 4.64 -1.97 -3.44 113.55 119.42 1jjr h SER 48 Ca -0.43 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 1jjr h SER 48 Cb 1.23 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1jjr h SER 48 CO 0.33 0.42 0.00 -1.84 -0.87 0.00 0.00 176.83 174.87 1jjr n GLU 49 N -4.90 0.00 0.35 4.77 0.28 -1.26 -4.99 120.64 114.90 1jjr n GLU 49 Ca -0.08 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.74 1jjr n GLU 49 Cb 0.28 0.00 -0.09 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 -0.96 -0.85 3.44 -0.00 -1.98 1.75 114.58 115.98 1jjr h GLU 50 Ca 0.00 0.07 0.01 0.00 -0.00 0.00 0.00 59.36 59.43 1jjr h GLU 50 Cb 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 28.75 28.93 1jjr h GLU 50 CO 0.00 -0.64 0.56 1.49 -0.00 0.00 0.00 179.01 180.42 1jjr h GLU 51 N -0.99 1.12 -0.05 1.06 4.57 -1.96 -0.44 114.58 117.88 1jjr h GLU 51 Ca -0.08 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1jjr h GLU 51 Cb 0.82 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1jjr h GLU 51 CO 0.05 0.74 0.03 -0.07 -1.18 0.00 0.00 179.01 178.58 1jjr h LEU 52 N 1.15 0.06 -0.38 1.64 3.38 -1.84 0.86 115.31 120.17 1jjr h LEU 52 Ca 0.31 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1jjr h LEU 52 Cb -0.13 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1jjr h LEU 52 CO -0.07 0.06 -0.03 0.11 0.09 0.00 0.00 178.44 178.60 1jjr h LYS 53 N 0.05 0.06 -0.56 1.13 1.79 0.32 0.86 116.57 120.22 1jjr h LYS 53 Ca 0.02 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1jjr h LYS 53 Cb 0.01 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 1jjr h LYS 53 CO -0.00 0.04 0.34 0.00 -1.08 0.00 0.00 179.45 178.75 1jjr h THR 54 N 0.07 1.05 0.11 -0.16 1.03 -0.77 0.32 112.91 114.55 1jjr h THR 54 Ca 0.19 -0.23 -0.01 0.00 -0.01 0.00 0.00 66.41 66.35 1jjr h THR 54 Cb 0.27 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.68 1jjr h THR 54 CO -0.34 0.12 -0.05 0.45 -0.01 0.00 0.00 175.52 175.68 1jjr h HIS 55 N 0.66 -0.14 -0.55 0.00 3.86 0.72 -2.20 115.15 117.50 1jjr h HIS 55 Ca 0.23 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1jjr h HIS 55 Cb 0.04 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.50 1jjr h HIS 55 CO -0.06 -0.08 0.27 0.82 0.86 0.00 0.00 177.93 179.73 1jjr h ILE 56 N -0.16 0.93 0.00 2.45 2.04 0.12 0.23 117.51 123.12 1jjr h ILE 56 Ca -0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1jjr h ILE 56 Cb 0.12 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1jjr h ILE 56 CO 0.03 0.09 0.00 -0.24 0.00 0.00 0.00 178.15 178.03 1jjr n SER 57 N -4.89 0.00 0.00 1.72 2.88 0.11 -4.22 113.62 109.22 1jjr n SER 57 Ca 0.06 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1jjr n SER 57 Cb 0.16 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1jjr n SER 57 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jjr n LYS 58 N -1.66 0.00 0.00 -1.46 5.02 -0.85 -4.98 118.16 114.22 1jjr n LYS 58 Ca 0.00 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1jjr n LYS 58 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.40 0.00 0.11 0.72 0.00 0.03 -5.04 105.19 100.62 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 0.29 2.61 -2.24 -0.99 -4.29 114.28 109.65 1jjr n THR 60 Ca 0.00 -0.08 0.18 0.00 -2.27 0.00 0.00 64.05 61.88 1jjr n THR 60 Cb 0.00 1.06 0.97 0.00 -2.10 0.00 0.00 70.33 70.25 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 0.54 0.00 -1.94 3.22 5.85 -1.91 0.15 115.31 121.22 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 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 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 -1.28 1.55 0.09 3.75 0.00 -1.26 -4.19 105.19 103.85 1jjr n GLY 62 Ca -0.02 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.59 0.51 -1.18 1.61 4.81 0.53 -4.97 118.16 120.06 1jjr n LYS 63 Ca 0.15 0.48 -0.36 0.00 -0.87 0.00 0.00 58.31 57.71 1jjr n LYS 63 Cb 0.54 -1.66 0.06 0.00 0.02 0.00 0.00 35.03 33.99 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 -1.79 -0.50 5.64 3.72 -1.25 -4.99 117.46 113.79 1jjr n PHE 64 Ca -0.21 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1jjr n PHE 64 Cb 0.49 -1.80 0.00 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 -2.37 0.00 0.02 4.37 -2.24 -1.26 -4.80 114.28 108.00 1jjr n THR 65 Ca 0.08 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1jjr n THR 65 Cb 0.51 -1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 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 -1.05 0.35 -1.21 2.28 2.07 -1.91 -2.33 116.25 114.44 1jjr h VAL 66 Ca 0.00 -1.09 0.35 0.00 0.82 0.00 0.00 66.70 66.78 1jjr h VAL 66 Cb 0.00 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1jjr h VAL 66 CO 0.00 0.11 0.87 1.55 0.02 0.00 0.00 177.57 180.12 1jjr h PRO 67 N -1.01 0.01 0.08 1.57 0.13 -1.99 0.53 132.00 131.32 1jjr h PRO 67 Ca -0.02 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1jjr h PRO 67 Cb 0.30 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.44 1jjr h PRO 67 CO 0.03 0.01 -0.50 0.52 -0.23 0.00 0.00 178.00 177.83 1jjr h MET 68 N 0.01 0.17 -0.36 0.86 2.86 -1.94 -3.24 114.93 113.28 1jjr h MET 68 Ca 0.58 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1jjr h MET 68 Cb 2.30 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 34.05 1jjr h MET 68 CO -0.02 1.14 0.21 -0.07 1.06 0.00 0.00 176.91 179.23 1jjr h LEU 69 N -0.64 0.44 -1.79 1.22 3.38 -0.19 -1.85 115.31 115.88 1jjr h LEU 69 Ca -0.09 -0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.03 1jjr h LEU 69 Cb 1.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1jjr h LEU 69 CO 0.08 0.38 0.59 0.11 0.09 0.00 0.00 178.44 179.69 1jjr h LYS 70 N 0.47 0.17 0.26 1.13 6.56 -0.22 -1.36 116.57 123.57 1jjr h LYS 70 Ca 0.13 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1jjr h LYS 70 Cb 0.02 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 1jjr h LYS 70 CO -0.02 0.11 -0.27 1.49 -2.06 0.00 0.00 179.45 178.70 1jjr h GLU 71 N 0.17 -0.54 -0.41 3.15 4.22 -1.36 0.84 114.58 120.65 1jjr h GLU 71 Ca 0.42 0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.94 1jjr h GLU 71 Cb 1.39 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 1jjr h GLU 71 CO -0.08 -0.36 0.18 0.00 -2.18 0.00 0.00 179.01 176.57 1jjr h ALA 72 N 0.06 0.50 -0.56 2.92 0.00 -1.30 0.22 119.26 121.10 1jjr h ALA 72 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jjr h ALA 72 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1jjr h ALA 72 CO -0.06 -0.20 0.33 0.00 0.00 0.00 0.00 179.25 179.32 1jjr h ARG 74 N 0.76 0.52 -0.26 0.00 2.47 0.14 1.08 114.38 119.09 1jjr h ARG 74 Ca 0.20 -0.09 -0.17 0.00 -1.26 0.00 0.00 59.98 58.66 1jjr h ARG 74 Cb -0.00 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1jjr h ARG 74 CO -0.04 0.51 -0.51 0.00 0.56 0.00 0.00 179.97 180.49 1jjr h ALA 75 N 1.56 0.61 0.00 0.04 0.00 0.11 -3.18 119.26 118.40 1jjr h ALA 75 Ca 0.12 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1jjr h ALA 75 Cb 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1jjr h ALA 75 CO 0.00 0.68 -1.18 1.88 0.00 0.00 0.00 179.25 180.63 1jjr h TYR 76 N 0.57 0.00 0.00 0.00 0.05 -0.65 -3.48 116.97 113.46 1jjr h TYR 76 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1jjr h TYR 76 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1jjr h TYR 76 CO 0.06 0.86 0.00 0.41 -1.05 0.00 0.00 178.16 178.44 1jjr n GLY 77 N 1.39 1.40 3.93 3.88 0.00 0.35 -5.08 105.19 111.06 1jjr n GLY 77 Ca -0.06 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 2.70 -0.17 0.99 2.01 0.02 -5.00 118.68 119.23 1jjr s LEU 78 Ca 0.00 0.31 0.11 0.00 0.01 0.00 0.00 54.13 54.56 1jjr s LEU 78 Cb 0.00 -2.47 -0.23 0.00 0.01 0.00 0.00 46.19 43.50 1jjr s LEU 78 CO 0.00 -2.50 0.17 2.29 1.01 0.00 0.00 176.35 177.32 1jjr n LYS 79 N -3.60 0.68 -0.22 1.70 2.85 -1.26 -4.73 118.16 113.59 1jjr n LYS 79 Ca 0.14 0.12 0.03 0.00 -1.05 0.00 0.00 58.31 57.54 1jjr n LYS 79 Cb 0.60 -1.60 -0.01 0.00 -0.65 0.00 0.00 35.03 33.37 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 -2.99 -2.90 -4.38 -5.58 3.41 -1.26 -4.90 113.62 95.02 1jjr n SER 80 Ca -0.32 0.23 -0.20 0.00 -0.26 0.00 0.00 58.87 58.32 1jjr n SER 80 Cb 1.09 -0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.89 1.57 0.00 5.00 0.00 -1.26 -4.92 107.32 104.82 1jjr s GLY 81 Ca 0.00 -1.73 0.30 0.00 0.00 0.00 0.00 44.72 43.29 1jjr s GLY 81 CO 0.00 -1.81 2.05 1.04 0.00 0.00 0.00 173.10 174.38 1jjr n LEU 82 N -0.45 0.09 0.00 0.66 4.77 -1.26 -4.21 117.00 116.59 1jjr n LEU 82 Ca -0.07 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1jjr n LEU 82 Cb 0.61 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1jjr n LEU 82 CO 0.36 0.02 0.00 0.29 -1.33 0.00 0.00 177.39 176.73 1jjr n LYS 83 N -1.17 0.00 0.00 3.23 5.02 -1.26 -5.07 118.16 118.91 1jjr n LYS 83 Ca 0.16 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1jjr n LYS 83 Cb 0.22 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1jjr n LYS 83 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1jjr n LYS 84 N -1.48 0.00 -0.30 1.97 2.85 -1.26 -4.90 118.16 115.04 1jjr n LYS 84 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1jjr n LYS 84 Cb 0.00 0.00 0.33 0.00 -0.65 0.00 0.00 35.03 34.71 1jjr n LYS 84 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1jjr h GLN 85 N 0.00 0.78 -1.41 -1.58 4.20 -1.95 -1.19 115.11 113.96 1jjr h GLN 85 Ca 0.00 -0.05 0.41 0.00 0.06 0.00 0.00 58.65 59.08 1jjr h GLN 85 Cb 0.00 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.53 1jjr h GLN 85 CO 0.00 0.52 0.99 1.49 -0.67 0.00 0.00 178.83 181.16 1jjr h GLU 86 N 0.81 0.06 -0.79 1.46 4.57 -1.93 0.90 114.58 119.66 1jjr h GLU 86 Ca 0.46 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.60 1jjr h GLU 86 Cb 0.61 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1jjr h GLU 86 CO -0.22 0.04 0.38 -0.07 -1.18 0.00 0.00 179.01 177.95 1jjr h LEU 87 N 0.06 1.04 -0.25 1.64 3.38 -1.48 -2.80 115.31 116.90 1jjr h LEU 87 Ca 0.71 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.60 1jjr h LEU 87 Cb 2.64 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 43.05 1jjr h LEU 87 CO -0.10 0.89 -0.27 -0.07 0.09 0.00 0.00 178.44 178.98 1jjr h LEU 88 N 1.12 -0.86 -0.29 1.67 4.07 0.70 -0.75 115.31 120.98 1jjr h LEU 88 Ca 0.27 0.15 0.07 0.00 0.08 0.00 0.00 57.88 58.45 1jjr h LEU 88 Cb 0.13 0.40 -0.08 0.00 1.08 0.00 0.00 40.66 42.19 1jjr h LEU 88 CO -0.03 -0.30 -0.31 -0.33 -1.08 0.00 0.00 178.44 176.38 1jjr h GLU 89 N -0.27 -0.29 -0.74 1.13 3.07 -1.50 1.21 114.58 117.19 1jjr h GLU 89 Ca 0.14 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.16 1jjr h GLU 89 Cb 0.49 0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.37 1jjr h GLU 89 CO -0.41 -0.19 0.29 0.00 -1.40 0.00 0.00 179.01 177.30 1jjr h ALA 90 N 0.64 1.03 0.55 3.43 0.00 -1.24 0.55 119.26 124.23 1jjr h ALA 90 Ca 0.14 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1jjr h ALA 90 Cb 0.53 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jjr h ALA 90 CO -0.46 -0.22 -0.27 -0.07 0.00 0.00 0.00 179.25 178.24 1jjr h LEU 91 N 0.43 -0.63 -0.34 0.00 3.38 0.45 -2.96 115.31 115.63 1jjr h LEU 91 Ca 0.41 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.41 1jjr h LEU 91 Cb 0.61 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 1jjr h LEU 91 CO -0.40 -0.25 -0.30 0.74 0.09 0.00 0.00 178.44 178.32 1jjr h THR 92 N -1.08 0.28 -1.19 0.22 2.02 0.19 0.32 112.91 113.67 1jjr h THR 92 Ca -0.08 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.44 1jjr h THR 92 Cb 0.63 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1jjr h THR 92 CO 0.12 0.00 0.84 0.50 0.37 0.00 0.00 175.52 177.35 1jjr h LYS 93 N -0.25 0.06 0.00 6.66 1.63 0.03 1.47 116.57 126.17 1jjr h LYS 93 Ca 0.16 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1jjr h LYS 93 Cb 0.52 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1jjr h LYS 93 CO -0.49 0.04 0.00 1.25 -3.45 0.00 0.00 179.45 176.80 1jjr h HIS 94 N 0.06 0.00 -0.17 1.91 2.76 -0.19 -3.33 115.15 116.19 1jjr h HIS 94 Ca 0.58 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.56 1jjr h HIS 94 Cb 2.19 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 30.84 1jjr h HIS 94 CO -0.00 0.00 -0.81 1.19 -1.30 0.00 0.00 177.93 177.01 1jjr n PHE 95 N -2.55 0.08 0.89 5.26 3.72 0.39 -4.92 117.46 120.33 1jjr n PHE 95 Ca 0.04 -1.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.02 1jjr n PHE 95 Cb 0.39 0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 1jjr n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jjr n GLN 96 N -0.44 0.89 0.00 -1.08 10.64 0.41 -4.96 117.38 122.85 1jjr n GLN 96 Ca -0.03 0.00 0.16 0.00 -1.83 0.00 0.00 57.00 55.30 1jjr n GLN 96 Cb 0.89 -1.28 0.91 0.00 -0.86 0.00 0.00 30.24 29.90 1jjr n GLN 96 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98