#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 -0.10 0.00 -0.18 3.14 -1.26 -4.78 118.33 115.15 1jjr n VAL 45 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 1jjr n VAL 45 Cb 0.00 -0.32 -0.11 0.00 -1.06 0.00 0.00 33.84 32.35 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 -0.20 0.41 -0.38 1.45 5.08 -2.03 -3.42 114.58 115.47 1jjr h GLU 46 Ca -0.15 -0.43 -0.24 0.00 -1.00 0.00 0.00 59.36 57.54 1jjr h GLU 46 Cb 1.10 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 30.31 1jjr h GLU 46 CO 0.21 1.10 -0.55 0.66 -1.00 0.00 0.00 179.01 179.43 1jjr n TYR 47 N -4.22 -3.18 0.03 4.33 4.01 -1.26 -4.97 117.16 111.89 1jjr n TYR 47 Ca -0.10 -1.84 -0.11 0.00 -0.16 0.00 0.00 57.90 55.69 1jjr n TYR 47 Cb 0.67 1.39 -0.08 0.00 -0.31 0.00 0.00 39.34 41.00 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 4.22 -0.14 0.00 7.72 4.64 -1.97 -3.41 113.55 124.61 1jjr h SER 48 Ca -0.09 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1jjr h SER 48 Cb 1.03 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1jjr h SER 48 CO 0.28 0.44 0.00 -1.84 -0.87 0.00 0.00 176.83 174.84 1jjr n GLU 49 N -4.88 0.00 0.26 4.77 0.28 -1.26 -4.92 120.64 114.88 1jjr n GLU 49 Ca -0.08 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.76 1jjr n GLU 49 Cb 0.27 0.00 -0.08 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 -0.80 -0.96 3.44 4.11 -1.98 1.00 114.58 119.38 1jjr h GLU 50 Ca 0.00 0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.51 1jjr h GLU 50 Cb 0.00 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1jjr h GLU 50 CO 0.00 -0.54 0.63 1.49 0.07 0.00 0.00 179.01 180.66 1jjr h GLU 51 N -0.83 1.21 0.16 1.06 4.57 -1.95 -0.35 114.58 118.46 1jjr h GLU 51 Ca -0.04 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1jjr h GLU 51 Cb 0.74 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1jjr h GLU 51 CO -0.05 0.80 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.42 1jjr h LEU 52 N 1.24 -0.22 -0.44 1.64 3.38 -1.80 0.12 115.31 119.23 1jjr h LEU 52 Ca 0.37 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.43 1jjr h LEU 52 Cb -0.05 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1jjr h LEU 52 CO -0.11 -0.15 0.04 0.50 0.09 0.00 0.00 178.44 178.82 1jjr h LYS 53 N -0.24 0.16 -0.83 1.13 3.64 0.16 0.38 116.57 120.97 1jjr h LYS 53 Ca -0.02 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1jjr h LYS 53 Cb 0.19 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1jjr h LYS 53 CO 0.03 0.10 0.50 1.15 -2.27 0.00 0.00 179.45 178.96 1jjr h THR 54 N 0.16 1.00 -0.03 1.00 2.02 -0.72 0.28 112.91 116.61 1jjr h THR 54 Ca 0.22 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jjr h THR 54 Cb 0.30 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1jjr h THR 54 CO -0.33 0.16 0.02 0.45 0.37 0.00 0.00 175.52 176.20 1jjr h HIS 55 N 0.89 0.04 -0.19 3.16 3.86 0.15 -2.04 115.15 121.02 1jjr h HIS 55 Ca 0.37 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.61 1jjr h HIS 55 Cb 0.23 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 1jjr h HIS 55 CO -0.04 0.05 0.02 0.82 0.86 0.00 0.00 177.93 179.63 1jjr h ILE 56 N 0.02 0.89 0.00 2.45 2.04 0.74 -0.33 117.51 123.32 1jjr h ILE 56 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1jjr h ILE 56 Cb 0.02 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1jjr h ILE 56 CO -0.00 0.01 0.00 -1.54 0.00 0.00 0.00 178.15 176.62 1jjr n SER 57 N -5.11 0.00 0.00 1.72 3.41 0.87 -4.16 113.62 110.34 1jjr n SER 57 Ca -0.03 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.54 1jjr n SER 57 Cb 0.10 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.19 0.00 0.00 4.33 5.02 -0.79 -4.98 118.16 119.55 1jjr n LYS 58 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1jjr n LYS 58 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.00 0.72 0.00 -0.18 -5.03 105.19 100.20 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 0.24 2.61 -2.24 -0.90 -4.28 114.28 109.72 1jjr n THR 60 Ca 0.00 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.73 1jjr n THR 60 Cb 0.00 0.64 0.81 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.85 3.22 5.85 -1.89 0.20 115.31 121.84 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 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 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 -1.42 0.01 0.09 3.75 0.00 -1.26 -4.04 105.19 102.32 1jjr n GLY 62 Ca -0.01 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 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 0.08 0.52 -1.47 1.61 4.81 0.70 -4.95 118.16 119.46 1jjr n LYS 63 Ca 0.14 0.52 -0.39 0.00 -0.87 0.00 0.00 58.31 57.72 1jjr n LYS 63 Cb 0.25 -1.70 0.03 0.00 0.02 0.00 0.00 35.03 33.64 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 -0.55 -0.40 5.64 3.72 -1.22 -4.99 117.46 115.16 1jjr n PHE 64 Ca -0.23 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1jjr n PHE 64 Cb 0.52 -1.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.08 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 -1.48 0.00 0.05 4.37 -2.24 -1.26 -4.80 114.28 108.92 1jjr n THR 65 Ca 0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1jjr n THR 65 Cb 0.46 -1.34 -0.05 0.00 -2.10 0.00 0.00 70.33 67.30 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 -0.93 0.43 -0.99 2.28 2.07 -1.94 -2.55 116.25 114.62 1jjr h VAL 66 Ca 0.00 -1.05 0.29 0.00 0.82 0.00 0.00 66.70 66.76 1jjr h VAL 66 Cb 0.00 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1jjr h VAL 66 CO 0.00 0.13 0.85 1.55 0.02 0.00 0.00 177.57 180.12 1jjr h PRO 67 N -1.00 0.00 0.00 1.57 0.13 -1.95 0.84 132.00 131.59 1jjr h PRO 67 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1jjr h PRO 67 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1jjr h PRO 67 CO 0.04 0.00 -0.00 0.52 -0.23 0.00 0.00 178.00 178.33 1jjr h MET 68 N 0.00 -0.00 -0.83 0.86 2.86 -1.93 -3.21 114.93 112.69 1jjr h MET 68 Ca 0.47 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.10 1jjr h MET 68 Cb 2.17 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.79 1jjr h MET 68 CO -0.00 0.95 0.45 -0.07 1.06 0.00 0.00 176.91 179.29 1jjr h LEU 69 N -0.96 1.03 -0.73 1.22 3.38 -0.21 -2.49 115.31 116.55 1jjr h LEU 69 Ca -0.00 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1jjr h LEU 69 Cb 0.95 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1jjr h LEU 69 CO 0.00 0.83 0.30 0.11 0.09 0.00 0.00 178.44 179.77 1jjr h LYS 70 N 1.16 0.45 -0.16 1.13 1.79 0.44 -1.51 116.57 119.86 1jjr h LYS 70 Ca 0.29 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.78 1jjr h LYS 70 Cb 0.03 -0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 1jjr h LYS 70 CO -0.05 0.30 -0.17 1.49 -1.08 0.00 0.00 179.45 179.94 1jjr h GLU 71 N 0.46 -0.19 -0.73 3.15 4.57 -1.44 0.75 114.58 121.16 1jjr h GLU 71 Ca 0.39 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.63 1jjr h GLU 71 Cb 0.55 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 1jjr h GLU 71 CO -0.37 -0.13 0.45 0.00 -1.18 0.00 0.00 179.01 177.78 1jjr h ALA 72 N 0.87 0.97 -0.98 2.92 0.00 -1.37 -1.68 119.26 119.99 1jjr h ALA 72 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jjr h ALA 72 Cb 0.36 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1jjr h ALA 72 CO -0.28 0.20 0.65 0.00 0.00 0.00 0.00 179.25 179.81 1jjr h ARG 74 N 1.33 0.70 0.05 0.00 1.12 0.02 1.19 114.38 118.79 1jjr h ARG 74 Ca 0.36 -0.10 -0.23 0.00 -1.11 0.00 0.00 59.98 58.90 1jjr h ARG 74 Cb -0.15 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 29.67 1jjr h ARG 74 CO -0.08 0.57 -1.07 0.00 -3.11 0.00 0.00 179.97 176.29 1jjr h ALA 75 N 1.53 0.29 0.00 2.80 0.00 -0.73 -3.30 119.26 119.85 1jjr h ALA 75 Ca 0.17 -0.86 -0.22 0.00 0.00 0.00 0.00 54.91 54.00 1jjr h ALA 75 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1jjr h ALA 75 CO -0.02 1.06 -1.24 1.88 0.00 0.00 0.00 179.25 180.93 1jjr h TYR 76 N 0.05 0.00 -1.15 0.00 -1.99 -0.37 -3.48 116.97 110.02 1jjr h TYR 76 Ca -0.07 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 1jjr h TYR 76 Cb 1.79 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.53 1jjr h TYR 76 CO 0.03 0.88 -0.12 0.41 -0.00 0.00 0.00 178.16 179.36 1jjr n GLY 77 N 1.41 0.36 3.94 3.88 0.00 0.41 -5.05 105.19 110.15 1jjr n GLY 77 Ca -0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.66 2.77 -1.06 0.99 1.43 -1.14 -5.01 118.68 115.00 1jjr s LEU 78 Ca 0.05 0.13 -0.06 0.00 -1.03 0.00 0.00 54.13 53.22 1jjr s LEU 78 Cb -0.02 -2.22 0.28 0.00 0.03 0.00 0.00 46.19 44.26 1jjr s LEU 78 CO 0.06 -2.58 1.16 1.17 0.23 0.00 0.00 176.35 176.39 1jjr n LYS 79 N -3.59 3.65 -0.33 1.70 0.00 -1.26 -4.95 118.16 113.38 1jjr n LYS 79 Ca 0.15 -4.50 0.00 0.00 0.00 0.00 0.00 58.31 53.96 1jjr n LYS 79 Cb 0.60 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 33.12 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 2.15 0.00 0.00 3.14 2.88 -1.26 -5.01 113.62 115.52 1jjr n SER 80 Ca 0.24 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1jjr n SER 80 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.00 1.87 0.00 0.46 0.00 -1.26 -5.02 105.19 101.25 1jjr n GLY 81 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.93 -4.60 0.99 4.77 -1.26 -4.77 117.00 113.06 1jjr n LEU 82 Ca 0.00 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 1jjr n LEU 82 Cb 0.00 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1jjr n LEU 82 CO 0.00 -0.34 1.00 -0.54 -1.33 0.00 0.00 177.39 176.18 1jjr s LYS 83 N -0.68 3.71 0.19 3.23 1.02 -1.26 -4.92 119.74 121.02 1jjr s LYS 83 Ca 0.00 0.54 -0.19 0.00 0.02 0.00 0.00 55.97 56.34 1jjr s LYS 83 Cb 0.00 -3.91 0.14 0.00 -0.52 0.00 0.00 37.83 33.54 1jjr s LYS 83 CO 0.00 -1.36 1.60 1.57 -0.92 0.00 0.00 175.35 176.24 1jjr h LYS 84 N 9.20 -0.14 -1.02 1.68 2.10 -1.93 0.52 116.57 126.97 1jjr h LYS 84 Ca -0.23 0.01 0.25 0.00 -2.00 0.00 0.00 60.65 58.68 1jjr h LYS 84 Cb 1.06 0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 32.32 1jjr h LYS 84 CO 1.12 -0.09 0.64 0.37 -2.00 0.00 0.00 179.45 179.49 1jjr h GLN 85 N -0.14 0.47 -0.11 0.07 5.75 -1.96 1.03 115.11 120.21 1jjr h GLN 85 Ca 0.24 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 1jjr h GLN 85 Cb 0.52 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1jjr h GLN 85 CO -0.63 0.31 -0.51 1.49 -2.65 0.00 0.00 178.83 176.84 1jjr h GLU 86 N 0.48 0.29 -0.58 1.69 4.57 -0.45 -2.91 114.58 117.67 1jjr h GLU 86 Ca 0.60 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1jjr h GLU 86 Cb 1.37 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 1jjr h GLU 86 CO -0.35 0.73 0.31 -0.07 -1.18 0.00 0.00 179.01 178.45 1jjr h LEU 87 N 0.23 0.74 0.29 1.64 3.38 0.30 -1.61 115.31 120.27 1jjr h LEU 87 Ca 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1jjr h LEU 87 Cb 0.98 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1jjr h LEU 87 CO 0.08 0.63 -0.51 -0.07 0.09 0.00 0.00 178.44 178.67 1jjr h LEU 88 N 0.79 -1.46 -0.67 1.67 4.07 -0.99 -0.57 115.31 118.14 1jjr h LEU 88 Ca 0.20 0.14 0.14 0.00 0.08 0.00 0.00 57.88 58.45 1jjr h LEU 88 Cb 0.06 0.51 -0.11 0.00 1.08 0.00 0.00 40.66 42.21 1jjr h LEU 88 CO -0.03 -0.59 0.04 -0.33 -1.08 0.00 0.00 178.44 176.45 1jjr h GLU 89 N -0.85 0.14 -0.57 1.13 4.39 -1.39 0.67 114.58 118.10 1jjr h GLU 89 Ca -0.03 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.75 1jjr h GLU 89 Cb 0.79 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.34 1jjr h GLU 89 CO -0.18 0.09 0.18 0.00 -1.16 0.00 0.00 179.01 177.95 1jjr h ALA 90 N 1.60 0.71 0.40 3.43 0.00 -0.67 0.64 119.26 125.38 1jjr h ALA 90 Ca 0.36 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1jjr h ALA 90 Cb 0.61 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1jjr h ALA 90 CO -0.55 -0.24 -0.19 -0.07 0.00 0.00 0.00 179.25 178.20 1jjr h LEU 91 N 0.34 -0.46 -0.14 0.00 4.07 0.80 -2.81 115.31 117.11 1jjr h LEU 91 Ca 0.29 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 58.17 1jjr h LEU 91 Cb 0.37 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.16 1jjr h LEU 91 CO -0.32 -0.08 -0.41 0.74 -1.08 0.00 0.00 178.44 177.29 1jjr h THR 92 N -0.90 0.15 -0.82 0.22 2.02 0.57 0.23 112.91 114.38 1jjr h THR 92 Ca -0.06 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.36 1jjr h THR 92 Cb 0.55 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1jjr h THR 92 CO 0.09 0.00 0.68 0.07 0.37 0.00 0.00 175.52 176.73 1jjr h LYS 93 N -0.48 0.00 -0.20 6.66 2.10 0.22 1.20 116.57 126.07 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 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1jjr h LYS 93 CO -0.40 0.00 0.00 1.58 -2.00 0.00 0.00 179.45 178.63 1jjr n HIS 94 N -3.99 0.26 -1.40 0.07 -0.00 0.76 -3.99 115.22 106.93 1jjr n HIS 94 Ca 0.17 -0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1jjr n HIS 94 Cb 0.97 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.84 1jjr n HIS 94 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1jjr n PHE 95 N 0.38 0.00 -2.34 1.57 3.72 0.36 -5.06 117.46 116.09 1jjr n PHE 95 Ca 0.15 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 1jjr n PHE 95 Cb 0.33 0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 1jjr n PHE 95 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1jjr s GLN 96 N 0.00 4.10 0.00 -1.08 -2.07 0.18 -5.02 119.66 115.77 1jjr s GLN 96 Ca 0.00 1.61 0.00 0.00 -1.82 0.00 0.00 55.36 55.15 1jjr s GLN 96 Cb 0.00 -3.85 0.00 0.00 -1.09 0.00 0.00 33.01 28.07 1jjr s GLN 96 CO 0.00 -0.89 0.00 -3.47 -1.32 0.00 0.00 175.29 169.61