#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 1.35 1.86 -0.18 3.14 -1.26 -4.20 118.33 119.04 1jjr n VAL 45 Ca 0.00 -0.22 0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1jjr n VAL 45 Cb 0.00 -1.20 0.63 0.00 -1.06 0.00 0.00 33.84 32.21 1jjr n VAL 45 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jjr n GLU 46 N 1.01 0.93 -2.65 1.45 1.02 -1.26 -4.88 120.64 116.26 1jjr n GLU 46 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1jjr n GLU 46 Cb 0.46 -1.35 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.85 -1.06 -0.03 -0.32 4.01 -1.26 -4.78 117.16 112.86 1jjr n TYR 47 Ca 0.16 0.45 -0.14 0.00 -0.16 0.00 0.00 57.90 58.21 1jjr n TYR 47 Cb 0.07 -3.46 -0.09 0.00 -0.31 0.00 0.00 39.34 35.55 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 -0.87 0.21 0.00 7.72 4.64 -1.90 -3.43 113.55 119.92 1jjr h SER 48 Ca -0.28 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 1jjr h SER 48 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1jjr h SER 48 CO 0.24 0.74 0.00 -1.84 -0.87 0.00 0.00 176.83 175.09 1jjr n GLU 49 N -4.64 0.00 0.19 4.77 0.28 -1.26 -4.87 120.64 115.10 1jjr n GLU 49 Ca -0.08 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.77 1jjr n GLU 49 Cb 0.36 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.16 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 -0.63 -0.93 3.44 4.11 -1.97 1.04 114.58 119.64 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 29.35 1jjr h GLU 50 CO 0.00 -0.42 0.61 1.49 0.07 0.00 0.00 179.01 180.76 1jjr h GLU 51 N -0.66 1.23 0.10 1.06 4.57 -1.95 -0.69 114.58 118.25 1jjr h GLU 51 Ca -0.01 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1jjr h GLU 51 Cb 0.62 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1jjr h GLU 51 CO -0.10 0.82 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.43 1jjr h LEU 52 N 1.27 -0.11 -0.42 1.64 3.38 -1.76 0.71 115.31 120.01 1jjr h LEU 52 Ca 0.34 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.39 1jjr h LEU 52 Cb -0.14 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1jjr h LEU 52 CO -0.07 -0.08 -0.01 0.50 0.09 0.00 0.00 178.44 178.87 1jjr h LYS 53 N -0.14 0.10 -0.77 1.13 3.64 0.16 0.58 116.57 121.28 1jjr h LYS 53 Ca -0.01 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1jjr h LYS 53 Cb 0.10 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 1jjr h LYS 53 CO 0.02 0.06 0.42 1.15 -2.27 0.00 0.00 179.45 178.84 1jjr h THR 54 N 0.10 0.90 -0.02 1.00 2.02 -0.76 0.30 112.91 116.45 1jjr h THR 54 Ca 0.21 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1jjr h THR 54 Cb 0.30 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1jjr h THR 54 CO -0.35 0.13 0.01 0.45 0.37 0.00 0.00 175.52 176.13 1jjr h HIS 55 N 0.72 0.02 -0.47 3.16 3.86 0.16 -2.28 115.15 120.32 1jjr h HIS 55 Ca 0.37 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.64 1jjr h HIS 55 Cb 0.34 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 1jjr h HIS 55 CO -0.08 0.05 0.18 0.82 0.86 0.00 0.00 177.93 179.76 1jjr h ILE 56 N -0.01 0.86 0.00 2.45 2.04 0.13 0.82 117.51 123.80 1jjr h ILE 56 Ca 0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1jjr h ILE 56 Cb 0.04 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1jjr h ILE 56 CO -0.00 0.06 0.00 -1.20 0.00 0.00 0.00 178.15 177.01 1jjr n SER 57 N -4.99 0.00 0.00 1.72 7.64 0.93 -4.21 113.62 114.70 1jjr n SER 57 Ca 0.04 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1jjr n SER 57 Cb 0.17 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1jjr n SER 57 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jjr n LYS 58 N -1.59 0.00 0.00 1.43 5.02 -0.88 -4.99 118.16 117.15 1jjr n LYS 58 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1jjr n LYS 58 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.49 0.00 0.05 0.72 0.00 0.26 -5.04 105.19 100.69 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 0.27 2.61 -2.24 -1.09 -4.26 114.28 109.57 1jjr n THR 60 Ca 0.00 -0.04 0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1jjr n THR 60 Cb 0.00 1.03 0.91 0.00 -2.10 0.00 0.00 70.33 70.16 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 0.24 0.00 -1.68 3.22 6.46 -1.91 0.13 115.31 121.77 1jjr h LEU 61 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1jjr h LEU 61 Cb 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1jjr h LEU 61 CO 0.00 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.43 1jjr n GLY 62 N -1.33 1.45 0.08 3.75 0.00 -1.26 -4.09 105.19 103.79 1jjr n GLY 62 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 0.30 0.48 -1.11 1.61 5.02 0.44 -4.96 118.16 119.94 1jjr n LYS 63 Ca 0.11 0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 56.54 1jjr n LYS 63 Cb 0.49 -1.67 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1jjr n LYS 63 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1jjr n PHE 64 N -4.56 -1.49 -0.69 2.13 3.72 -1.26 -4.99 117.46 110.33 1jjr n PHE 64 Ca -0.14 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1jjr n PHE 64 Cb 0.38 -1.82 0.00 0.00 -0.94 0.00 0.00 39.48 37.10 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 -2.68 0.00 -0.01 4.37 -2.24 -1.26 -4.83 114.28 107.63 1jjr n THR 65 Ca 0.08 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.69 1jjr n THR 65 Cb 0.51 -1.44 -0.13 0.00 -2.10 0.00 0.00 70.33 67.18 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 -1.23 1.57 -0.90 2.28 2.07 -1.94 -2.46 116.25 115.64 1jjr h VAL 66 Ca 0.00 -2.24 0.21 0.00 0.82 0.00 0.00 66.70 65.49 1jjr h VAL 66 Cb 0.00 3.02 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1jjr h VAL 66 CO 0.00 0.62 0.60 -0.65 0.02 0.00 0.00 177.57 178.15 1jjr h PRO 67 N -0.51 0.37 0.24 1.57 0.11 -1.97 0.17 132.00 131.98 1jjr h PRO 67 Ca -0.07 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.69 1jjr h PRO 67 Cb 1.25 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 32.31 1jjr h PRO 67 CO 0.08 0.25 -1.47 0.52 -0.21 0.00 0.00 178.00 177.17 1jjr h MET 68 N 0.38 0.50 -0.30 1.05 2.86 -1.94 -3.29 114.93 114.20 1jjr h MET 68 Ca 0.47 -0.86 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1jjr h MET 68 Cb 1.19 0.32 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 1jjr h MET 68 CO -0.17 1.41 0.18 -0.07 1.06 0.00 0.00 176.91 179.32 1jjr h LEU 69 N 0.14 0.36 -1.69 1.22 3.38 -0.54 -1.88 115.31 116.29 1jjr h LEU 69 Ca -0.25 -0.05 0.21 0.00 0.09 0.00 0.00 57.88 57.89 1jjr h LEU 69 Cb 2.15 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.75 1jjr h LEU 69 CO 0.26 0.30 0.59 0.11 0.09 0.00 0.00 178.44 179.79 1jjr h LYS 70 N 0.38 0.25 0.16 1.13 1.57 -0.86 -1.31 116.57 117.90 1jjr h LYS 70 Ca 0.11 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1jjr h LYS 70 Cb 0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1jjr h LYS 70 CO -0.02 0.17 -0.22 1.49 -0.57 0.00 0.00 179.45 180.30 1jjr h GLU 71 N 0.26 -0.42 -0.52 3.15 4.22 -1.40 -1.45 114.58 118.41 1jjr h GLU 71 Ca 0.43 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.97 1jjr h GLU 71 Cb 1.29 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 1jjr h GLU 71 CO -0.11 -0.28 0.35 0.00 -2.18 0.00 0.00 179.01 176.79 1jjr h ALA 72 N 0.32 1.91 -0.23 2.92 0.00 -1.26 -1.86 119.26 121.06 1jjr h ALA 72 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jjr h ALA 72 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1jjr h ALA 72 CO -0.09 0.00 0.13 0.00 0.00 0.00 0.00 179.25 179.29 1jjr h ARG 74 N 0.27 0.00 0.11 0.00 0.11 -0.48 0.95 114.38 115.34 1jjr h ARG 74 Ca 0.08 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.90 1jjr h ARG 74 Cb 0.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.14 1jjr h ARG 74 CO -0.01 0.08 -1.22 0.00 0.10 0.00 0.00 179.97 178.92 1jjr h ALA 75 N 1.92 0.13 0.00 0.08 0.00 -1.06 -3.29 119.26 117.04 1jjr h ALA 75 Ca -0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 54.91 53.87 1jjr h ALA 75 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jjr h ALA 75 CO 0.01 1.02 -0.97 1.88 0.00 0.00 0.00 179.25 181.19 1jjr h TYR 76 N 0.06 0.00 0.00 0.00 -1.99 -0.10 -3.48 116.97 111.47 1jjr h TYR 76 Ca -0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1jjr h TYR 76 Cb 1.95 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.68 1jjr h TYR 76 CO 0.06 0.58 0.00 0.41 -0.00 0.00 0.00 178.16 179.20 1jjr n GLY 77 N 1.32 0.86 0.00 3.88 0.00 0.32 -5.07 105.19 106.50 1jjr n GLY 77 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.92 0.99 4.77 -0.70 -5.02 117.00 116.11 1jjr n LEU 78 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1jjr n LEU 78 Cb 0.12 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1jjr n LEU 78 CO 0.00 -0.24 0.18 2.29 -1.33 0.00 0.00 177.39 178.29 1jjr n LYS 79 N -0.47 0.00 0.00 3.23 -0.00 -1.26 -4.84 118.16 114.82 1jjr n LYS 79 Ca 0.00 -1.36 0.00 0.00 -0.00 0.00 0.00 58.31 56.95 1jjr n LYS 79 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.79 1jjr n LYS 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1jjr n SER 80 N 0.20 -0.15 0.00 -5.58 2.88 -1.26 -5.02 113.62 104.69 1jjr n SER 80 Ca 0.01 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 1jjr n SER 80 Cb 0.87 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1jjr n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jjr n GLY 81 N 4.46 0.65 0.00 0.46 0.00 -1.26 -4.99 105.19 104.50 1jjr n GLY 81 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.02 0.99 4.77 -1.26 -5.05 117.00 116.43 1jjr n LEU 82 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jjr n LEU 82 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jjr n LEU 82 CO 0.00 0.00 -0.03 0.11 -1.33 0.00 0.00 177.39 176.14 1jjr h LYS 83 N 0.00 0.00 0.00 3.23 1.79 -2.00 -3.50 116.57 116.09 1jjr h LYS 83 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jjr h LYS 83 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1jjr h LYS 83 CO 0.00 0.00 0.00 1.17 -1.08 0.00 0.00 179.45 179.54 1jjr n LYS 84 N -3.13 0.00 -0.32 3.15 0.00 -1.26 -4.78 118.16 111.82 1jjr n LYS 84 Ca -0.01 0.00 0.20 0.00 0.00 0.00 0.00 58.31 58.50 1jjr n LYS 84 Cb 0.02 0.00 0.45 0.00 0.00 0.00 0.00 35.03 35.50 1jjr n LYS 84 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1jjr h GLN 85 N 0.00 0.48 -1.00 1.64 4.15 -1.97 0.10 115.11 118.52 1jjr h GLN 85 Ca 0.00 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.51 1jjr h GLN 85 Cb 0.00 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.50 1jjr h GLN 85 CO 0.00 0.32 0.63 1.49 -1.93 0.00 0.00 178.83 179.34 1jjr h GLU 86 N 0.50 0.98 -0.26 1.69 4.57 -1.99 -1.12 114.58 118.95 1jjr h GLU 86 Ca 0.59 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.70 1jjr h GLU 86 Cb 1.31 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1jjr h GLU 86 CO -0.33 0.65 0.14 -0.07 -1.18 0.00 0.00 179.01 178.22 1jjr h LEU 87 N 1.01 0.32 -0.25 1.64 3.38 -1.18 -2.06 115.31 118.16 1jjr h LEU 87 Ca 0.49 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.44 1jjr h LEU 87 Cb 0.45 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1jjr h LEU 87 CO -0.26 0.31 -0.24 -0.07 0.09 0.00 0.00 178.44 178.28 1jjr h LEU 88 N 0.31 -0.76 -0.29 1.67 4.07 -1.16 -0.51 115.31 118.64 1jjr h LEU 88 Ca 0.09 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.26 1jjr h LEU 88 Cb 0.06 0.36 -0.07 0.00 1.08 0.00 0.00 40.66 42.09 1jjr h LEU 88 CO -0.01 -0.27 -0.23 -0.08 -1.08 0.00 0.00 178.44 176.77 1jjr h GLU 89 N -0.24 -0.20 -0.80 1.13 4.81 -1.07 0.94 114.58 119.15 1jjr h GLU 89 Ca 0.14 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.51 1jjr h GLU 89 Cb 0.45 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 1jjr h GLU 89 CO -0.39 -0.13 0.39 0.00 -0.73 0.00 0.00 179.01 178.15 1jjr h ALA 90 N 0.90 1.16 0.57 2.92 0.00 -0.65 0.46 119.26 124.61 1jjr h ALA 90 Ca 0.15 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1jjr h ALA 90 Cb 0.45 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jjr h ALA 90 CO -0.41 -0.09 -0.28 -0.07 0.00 0.00 0.00 179.25 178.41 1jjr h LEU 91 N 0.60 -0.65 -0.26 0.00 4.07 0.55 -2.88 115.31 116.73 1jjr h LEU 91 Ca 0.42 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 58.41 1jjr h LEU 91 Cb 0.56 0.17 -0.08 0.00 1.08 0.00 0.00 40.66 42.39 1jjr h LEU 91 CO -0.34 -0.27 -0.36 0.74 -1.08 0.00 0.00 178.44 177.13 1jjr h THR 92 N -1.11 0.21 -1.21 0.22 2.02 0.13 0.20 112.91 113.36 1jjr h THR 92 Ca -0.08 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.45 1jjr h THR 92 Cb 0.64 0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.17 1jjr h THR 92 CO 0.13 0.00 0.82 0.11 0.37 0.00 0.00 175.52 176.94 1jjr h LYS 93 N -0.36 0.18 0.38 6.66 1.57 -0.16 1.21 116.57 126.05 1jjr h LYS 93 Ca 0.12 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1jjr h LYS 93 Cb 0.57 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1jjr h LYS 93 CO -0.46 0.12 -0.18 1.25 -0.57 0.00 0.00 179.45 179.60 1jjr h HIS 94 N 0.18 -0.47 -0.42 -1.35 2.76 -0.37 -3.14 115.15 112.34 1jjr h HIS 94 Ca 0.67 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.83 1jjr h HIS 94 Cb 2.14 0.16 0.00 0.00 1.55 0.00 0.00 27.41 31.26 1jjr h HIS 94 CO -0.00 -0.15 0.00 1.19 -1.30 0.00 0.00 177.93 177.66 1jjr n PHE 95 N -5.19 0.91 -2.26 5.26 3.72 -0.14 -4.87 117.46 114.90 1jjr n PHE 95 Ca -0.10 -0.37 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 1jjr n PHE 95 Cb 0.28 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.69 3.24 0.00 -1.08 -0.44 0.40 -5.04 119.66 115.05 1jjr s GLN 96 Ca 0.32 0.73 0.32 0.00 -2.50 0.00 0.00 55.36 54.23 1jjr s GLN 96 Cb 0.20 -4.16 1.85 0.00 -1.64 0.00 0.00 33.01 29.26 1jjr s GLN 96 CO 0.16 -1.99 2.19 -0.25 0.50 0.00 0.00 175.29 175.91