#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 1.30 -0.24 -0.18 2.07 -2.07 -3.47 116.25 113.66 1jjr h VAL 45 Ca 0.00 -2.04 -0.11 0.00 0.82 0.00 0.00 66.70 65.38 1jjr h VAL 45 Cb 0.00 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1jjr h VAL 45 CO 0.00 0.64 -0.10 -0.62 0.02 0.00 0.00 177.57 177.51 1jjr n GLU 46 N -3.90 -1.08 -3.02 1.57 1.02 -1.26 -3.99 120.64 109.97 1jjr n GLU 46 Ca -0.07 0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1jjr n GLU 46 Cb 0.75 -4.53 0.01 0.00 -0.02 0.00 0.00 31.44 27.65 1jjr n GLU 46 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jjr n TYR 47 N -2.49 -3.00 0.01 -0.32 4.01 -1.26 -4.48 117.16 109.62 1jjr n TYR 47 Ca -0.05 1.26 -0.12 0.00 -0.16 0.00 0.00 57.90 58.83 1jjr n TYR 47 Cb 0.35 -3.15 -0.09 0.00 -0.31 0.00 0.00 39.34 36.14 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 2.44 -0.09 0.00 7.72 4.64 -1.97 -3.43 113.55 122.86 1jjr h SER 48 Ca -0.14 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1jjr h SER 48 Cb 0.89 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1jjr h SER 48 CO 0.16 0.54 0.00 -0.62 -0.87 0.00 0.00 176.83 176.04 1jjr n GLU 49 N -4.83 0.00 0.36 4.77 1.02 -1.26 -4.97 120.64 115.72 1jjr n GLU 49 Ca -0.08 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.87 1jjr n GLU 49 Cb 0.30 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.62 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 -1.06 -0.96 3.49 -0.00 -1.98 1.35 114.58 115.41 1jjr h GLU 50 Ca 0.00 0.07 0.04 0.00 -0.00 0.00 0.00 59.36 59.47 1jjr h GLU 50 Cb 0.00 0.24 -0.06 0.00 -0.00 0.00 0.00 28.75 28.93 1jjr h GLU 50 CO 0.00 -0.71 0.63 1.49 -0.00 0.00 0.00 179.01 180.42 1jjr h GLU 51 N -1.10 1.19 0.16 1.06 4.81 -1.97 -0.30 114.58 118.42 1jjr h GLU 51 Ca -0.08 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1jjr h GLU 51 Cb 0.92 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1jjr h GLU 51 CO 0.01 0.78 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.91 1jjr h LEU 52 N 1.22 -0.24 -0.46 1.64 3.38 -1.84 0.18 115.31 119.20 1jjr h LEU 52 Ca 0.38 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.45 1jjr h LEU 52 Cb -0.00 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1jjr h LEU 52 CO -0.12 -0.16 0.05 0.11 0.09 0.00 0.00 178.44 178.41 1jjr h LYS 53 N -0.25 0.17 -0.81 1.13 1.79 0.24 0.31 116.57 119.15 1jjr h LYS 53 Ca -0.01 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1jjr h LYS 53 Cb 0.21 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1jjr h LYS 53 CO 0.02 0.11 0.50 1.15 -1.08 0.00 0.00 179.45 180.15 1jjr h THR 54 N 0.18 1.07 -0.11 -0.16 2.02 -0.70 0.42 112.91 115.62 1jjr h THR 54 Ca 0.23 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1jjr h THR 54 Cb 0.31 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1jjr h THR 54 CO -0.33 0.17 0.07 0.45 0.37 0.00 0.00 175.52 176.25 1jjr h HIS 55 N 0.95 0.14 -0.34 3.16 3.86 0.14 -2.43 115.15 120.62 1jjr h HIS 55 Ca 0.34 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.59 1jjr h HIS 55 Cb 0.10 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 1jjr h HIS 55 CO -0.04 0.09 0.12 0.82 0.86 0.00 0.00 177.93 179.78 1jjr h ILE 56 N 0.14 0.91 0.00 2.45 2.04 0.30 0.37 117.51 123.73 1jjr h ILE 56 Ca 0.04 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1jjr h ILE 56 Cb -0.01 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1jjr h ILE 56 CO -0.01 0.05 0.00 -1.54 0.00 0.00 0.00 178.15 176.65 1jjr n SER 57 N -5.01 0.00 0.00 1.72 3.41 0.06 -4.10 113.62 109.70 1jjr n SER 57 Ca 0.01 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1jjr n SER 57 Cb 0.12 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1jjr n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jjr n LYS 58 N -1.72 0.00 0.00 4.33 5.02 -0.94 -4.97 118.16 119.88 1jjr n LYS 58 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1jjr n LYS 58 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.84 0.00 0.00 0.72 0.00 0.07 -5.04 105.19 100.11 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 0.32 2.61 -2.24 -0.91 -4.23 114.28 109.84 1jjr n THR 60 Ca 0.00 -0.02 0.20 0.00 -2.27 0.00 0.00 64.05 61.96 1jjr n THR 60 Cb 0.00 0.94 1.11 0.00 -2.10 0.00 0.00 70.33 70.28 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 -2.10 3.22 5.85 -1.90 0.11 115.31 120.49 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 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 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 -1.16 1.86 0.11 3.75 0.00 -1.26 -4.06 105.19 104.43 1jjr n GLY 62 Ca -0.03 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1jjr n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjr h LYS 63 N 2.23 0.08 -6.48 1.61 1.57 -1.07 -3.48 116.57 111.03 1jjr h LYS 63 Ca 0.00 -0.13 -0.57 0.00 -1.87 0.00 0.00 60.65 58.08 1jjr h LYS 63 Cb 1.07 0.05 0.19 0.00 0.08 0.00 0.00 32.23 33.62 1jjr h LYS 63 CO 0.18 1.06 -0.65 1.19 -0.57 0.00 0.00 179.45 180.66 1jjr n PHE 64 N -4.18 -1.54 0.00 -1.35 3.72 -1.26 -4.98 117.46 107.87 1jjr n PHE 64 Ca -0.32 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1jjr n PHE 64 Cb 0.78 -1.84 0.00 0.00 -0.94 0.00 0.00 39.48 37.48 1jjr n PHE 64 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1jjr n THR 65 N -2.20 0.00 0.13 4.37 -1.04 -1.26 -4.93 114.28 109.35 1jjr n THR 65 Ca 0.09 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1jjr n THR 65 Cb 0.50 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1jjr n THR 65 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1jjr n VAL 66 N -0.42 0.00 0.01 12.58 0.31 -1.26 -4.64 118.33 124.91 1jjr n VAL 66 Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 64.34 64.56 1jjr n VAL 66 Cb 0.00 0.00 0.70 0.00 -0.91 0.00 0.00 33.84 33.63 1jjr n VAL 66 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jjr h PRO 67 N 0.00 0.00 0.12 5.55 0.13 -1.96 0.56 132.00 136.39 1jjr h PRO 67 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1jjr h PRO 67 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1jjr h PRO 67 CO 0.00 0.00 -0.91 0.52 -0.23 0.00 0.00 178.00 177.38 1jjr h MET 68 N 0.00 0.41 -0.48 0.86 2.86 -1.96 -3.25 114.93 113.37 1jjr h MET 68 Ca 0.27 -0.60 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1jjr h MET 68 Cb 1.46 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.30 1jjr h MET 68 CO -0.00 1.26 0.22 -0.07 1.06 0.00 0.00 176.91 179.37 1jjr h LEU 69 N -0.14 0.63 -1.55 1.22 3.38 -0.38 -2.33 115.31 116.16 1jjr h LEU 69 Ca -0.15 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 57.91 1jjr h LEU 69 Cb 1.67 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.19 1jjr h LEU 69 CO 0.17 0.60 0.62 0.11 0.09 0.00 0.00 178.44 180.03 1jjr h LYS 70 N 0.63 0.34 0.23 1.13 1.79 -0.71 -1.26 116.57 118.72 1jjr h LYS 70 Ca 0.16 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1jjr h LYS 70 Cb 0.14 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 1jjr h LYS 70 CO -0.02 0.23 -0.30 1.49 -1.08 0.00 0.00 179.45 179.77 1jjr h GLU 71 N 0.35 -0.57 -0.56 3.15 4.57 -1.45 0.65 114.58 120.73 1jjr h GLU 71 Ca 0.49 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.74 1jjr h GLU 71 Cb 1.31 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.99 1jjr h GLU 71 CO -0.18 -0.38 0.32 0.00 -1.18 0.00 0.00 179.01 177.60 1jjr h ALA 72 N 0.02 0.72 -0.89 2.92 0.00 -1.31 -0.82 119.26 119.89 1jjr h ALA 72 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jjr h ALA 72 Cb 0.57 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1jjr h ALA 72 CO -0.11 0.02 0.57 0.00 0.00 0.00 0.00 179.25 179.73 1jjr h ARG 74 N 1.22 0.87 0.00 0.00 2.43 0.12 1.01 114.38 120.03 1jjr h ARG 74 Ca 0.32 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 1jjr h ARG 74 Cb -0.10 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 1jjr h ARG 74 CO -0.07 0.67 -0.70 0.00 -1.51 0.00 0.00 179.97 178.36 1jjr h ALA 75 N 1.47 0.70 0.06 2.80 0.00 -0.19 -3.21 119.26 120.88 1jjr h ALA 75 Ca 0.22 -0.64 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 1jjr h ALA 75 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1jjr h ALA 75 CO -0.03 0.88 -1.32 1.88 0.00 0.00 0.00 179.25 180.65 1jjr h TYR 76 N 0.00 0.22 0.00 0.00 -1.99 0.41 -3.48 116.97 112.13 1jjr h TYR 76 Ca -0.01 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.56 1jjr h TYR 76 Cb 1.36 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1jjr h TYR 76 CO 0.00 1.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.73 1jjr n GLY 77 N 1.51 0.64 0.00 3.88 0.00 0.34 -5.07 105.19 106.50 1jjr n GLY 77 Ca -0.09 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.40 0.99 4.77 -1.07 -5.04 117.00 113.25 1jjr n LEU 78 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1jjr n LEU 78 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1jjr n LEU 78 CO 0.00 -0.28 -0.21 1.17 -1.33 0.00 0.00 177.39 176.74 1jjr n LYS 79 N -0.56 0.97 -0.95 3.23 0.00 -1.26 -4.88 118.16 114.72 1jjr n LYS 79 Ca 0.00 -3.62 -0.20 0.00 0.00 0.00 0.00 58.31 54.50 1jjr n LYS 79 Cb 0.00 -1.69 0.15 0.00 0.00 0.00 0.00 35.03 33.49 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 1.90 -0.90 -4.70 3.14 3.41 -1.26 -4.98 113.62 110.23 1jjr n SER 80 Ca 0.25 -1.11 -0.24 0.00 -0.26 0.00 0.00 58.87 57.51 1jjr n SER 80 Cb 0.47 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.68 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 -4.31 2.02 0.00 5.00 0.00 -1.26 -4.93 107.32 103.84 1jjr s GLY 81 Ca 0.48 -1.90 0.27 0.00 0.00 0.00 0.00 44.72 43.58 1jjr s GLY 81 CO 0.35 -1.82 1.99 1.04 0.00 0.00 0.00 173.10 174.67 1jjr n LEU 82 N -1.10 0.29 0.00 0.66 4.77 -1.26 -4.24 117.00 116.11 1jjr n LEU 82 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1jjr n LEU 82 Cb 0.62 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1jjr n LEU 82 CO 0.43 0.05 0.02 1.17 -1.33 0.00 0.00 177.39 177.73 1jjr n LYS 83 N -0.72 0.00 0.00 3.23 4.81 -1.26 -5.03 118.16 119.19 1jjr n LYS 83 Ca 0.20 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1jjr n LYS 83 Cb 0.14 -0.75 0.00 0.00 0.02 0.00 0.00 35.03 34.44 1jjr n LYS 83 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1jjr n LYS 84 N -1.17 0.00 -0.19 1.64 2.85 -1.26 -4.82 118.16 115.21 1jjr n LYS 84 Ca 0.00 0.00 0.27 0.00 -1.05 0.00 0.00 58.31 57.53 1jjr n LYS 84 Cb 0.00 0.00 0.69 0.00 -0.65 0.00 0.00 35.03 35.07 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 0.06 -0.98 -1.58 5.75 -1.93 0.15 115.11 116.58 1jjr h GLN 85 Ca 0.00 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1jjr h GLN 85 Cb 0.00 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 1jjr h GLN 85 CO 0.00 0.04 0.64 1.49 -2.65 0.00 0.00 178.83 178.35 1jjr h GLU 86 N 0.06 1.22 -0.55 1.69 4.81 -1.92 -1.80 114.58 118.08 1jjr h GLU 86 Ca 0.44 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1jjr h GLU 86 Cb 1.65 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1jjr h GLU 86 CO -0.03 0.81 0.30 -0.07 -0.73 0.00 0.00 179.01 179.29 1jjr h LEU 87 N 1.26 0.69 -0.18 1.64 3.38 -0.92 -2.40 115.31 118.78 1jjr h LEU 87 Ca 0.38 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1jjr h LEU 87 Cb -0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1jjr h LEU 87 CO -0.11 0.58 -0.27 -0.07 0.09 0.00 0.00 178.44 178.66 1jjr h LEU 88 N 0.74 -0.85 -0.32 1.67 4.07 -1.31 -0.76 115.31 118.55 1jjr h LEU 88 Ca 0.19 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.36 1jjr h LEU 88 Cb 0.05 0.38 -0.08 0.00 1.08 0.00 0.00 40.66 42.08 1jjr h LEU 88 CO -0.03 -0.31 -0.25 -0.08 -1.08 0.00 0.00 178.44 176.68 1jjr h GLU 89 N -0.32 -0.21 -0.77 1.13 4.81 -1.14 0.97 114.58 119.05 1jjr h GLU 89 Ca 0.11 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.50 1jjr h GLU 89 Cb 0.49 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1jjr h GLU 89 CO -0.36 -0.14 0.33 0.00 -0.73 0.00 0.00 179.01 178.11 1jjr h ALA 90 N 0.88 1.09 0.46 2.92 0.00 -0.89 0.69 119.26 124.40 1jjr h ALA 90 Ca 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jjr h ALA 90 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jjr h ALA 90 CO -0.45 -0.18 -0.22 -0.07 0.00 0.00 0.00 179.25 178.33 1jjr h LEU 91 N 0.49 -0.52 -0.12 0.00 4.07 0.42 -2.73 115.31 116.91 1jjr h LEU 91 Ca 0.42 -0.09 0.04 0.00 0.08 0.00 0.00 57.88 58.33 1jjr h LEU 91 Cb 0.61 0.14 -0.07 0.00 1.08 0.00 0.00 40.66 42.42 1jjr h LEU 91 CO -0.38 -0.14 -0.40 0.74 -1.08 0.00 0.00 178.44 177.18 1jjr h THR 92 N -0.99 0.18 -1.04 0.22 2.02 0.15 0.15 112.91 113.59 1jjr h THR 92 Ca -0.06 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.41 1jjr h THR 92 Cb 0.58 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1jjr h THR 92 CO 0.10 0.00 0.74 0.07 0.37 0.00 0.00 175.52 176.80 1jjr h LYS 93 N -0.48 0.07 0.00 6.66 2.10 0.30 1.27 116.57 126.50 1jjr h LYS 93 Ca 0.08 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1jjr h LYS 93 Cb 0.61 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1jjr h LYS 93 CO -0.38 0.04 0.00 1.58 -2.00 0.00 0.00 179.45 178.69 1jjr n HIS 94 N -4.29 0.00 -2.32 0.07 -0.00 0.50 -3.57 115.22 105.61 1jjr n HIS 94 Ca 0.23 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.41 1jjr n HIS 94 Cb 1.07 -0.46 -0.01 0.00 -0.12 0.00 0.00 29.99 30.46 1jjr n HIS 94 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1jjr n PHE 95 N -1.46 0.00 -1.33 1.57 -0.00 0.37 -5.09 117.46 111.52 1jjr n PHE 95 Ca 0.06 -0.50 -0.30 0.00 -0.00 0.00 0.00 57.45 56.71 1jjr n PHE 95 Cb 0.25 0.08 0.23 0.00 -0.00 0.00 0.00 39.48 40.05 1jjr n PHE 95 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1jjr s GLN 96 N 0.00 -0.79 0.00 -4.13 -0.21 0.23 -4.98 119.66 109.77 1jjr s GLN 96 Ca 0.22 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.38 1jjr s GLN 96 Cb 0.25 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 32.60 1jjr s GLN 96 CO -0.11 -3.40 0.00 -3.47 -2.12 0.00 0.00 175.29 166.19