#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnj s ALA 0 N 0.00 3.37 0.00 5.20 0.00 -1.26 -4.91 121.76 124.16 3gnj s ALA 0 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3gnj s ALA 0 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3gnj s ALA 0 CO 0.00 -0.58 0.19 -1.13 0.00 0.00 0.00 175.76 174.24 3gnj n SER 2 N -2.42 0.00 -4.66 0.00 3.41 -1.26 -5.00 113.62 103.69 3gnj n SER 2 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 3gnj n SER 2 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3gnj n SER 2 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gnj s LEU 3 N -1.18 4.34 -0.24 1.04 1.02 -1.26 -4.95 118.68 117.45 3gnj s LEU 3 Ca 0.00 2.38 -0.14 0.00 0.02 0.00 0.00 54.13 56.40 3gnj s LEU 3 Cb 0.00 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 3gnj s LEU 3 CO 0.00 -1.01 0.31 -0.70 0.02 0.00 0.00 176.35 174.97 3gnj s GLU 4 N 4.27 4.08 0.14 1.70 2.12 -1.19 -4.81 118.70 125.01 3gnj s GLU 4 Ca 0.80 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.81 3gnj s GLU 4 Cb -0.37 -3.58 -0.07 0.00 0.26 0.00 0.00 34.13 30.37 3gnj s GLU 4 CO 0.34 -0.09 1.20 0.21 -0.54 0.00 0.00 175.26 176.39 3gnj s LYS 5 N 1.48 4.47 -0.02 4.30 2.20 -1.26 -1.15 119.74 129.77 3gnj s LYS 5 Ca 0.14 1.83 0.03 0.00 -0.36 0.00 0.00 55.97 57.61 3gnj s LYS 5 Cb -0.15 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 3gnj s LYS 5 CO 0.08 -0.15 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.34 3gnj s LEU 6 N 0.30 3.17 0.51 5.43 1.43 -0.00 -4.90 118.68 124.62 3gnj s LEU 6 Ca 0.55 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.62 3gnj s LEU 6 Cb -0.31 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.18 3gnj s LEU 6 CO 0.33 0.31 0.71 1.51 0.23 0.00 0.00 176.35 179.44 3gnj s ASP 7 N -1.24 5.31 0.23 2.29 1.47 -1.26 -4.64 116.67 118.83 3gnj s ASP 7 Ca 0.16 -0.56 -0.06 0.00 1.18 0.00 0.00 52.55 53.27 3gnj s ASP 7 Cb -0.11 -0.24 0.38 0.00 -0.34 0.00 0.00 42.92 42.61 3gnj s ASP 7 CO 0.06 -1.11 1.76 0.74 0.68 0.00 0.00 175.17 177.30 3gnj h THR 8 N 0.32 0.77 -0.31 2.11 2.02 -1.96 0.12 112.91 116.00 3gnj h THR 8 Ca -0.36 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 66.69 3gnj h THR 8 Cb 1.28 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3gnj h THR 8 CO 0.43 0.10 0.04 0.78 0.37 0.00 0.00 175.52 177.25 3gnj h ASN 9 N 0.54 -0.02 0.28 4.18 2.35 -2.00 -1.97 115.58 118.93 3gnj h ASN 9 Ca 0.37 0.06 -0.18 0.00 -0.55 0.00 0.00 56.30 56.00 3gnj h ASN 9 Cb 0.47 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3gnj h ASN 9 CO -0.32 0.02 -0.72 0.74 -1.65 0.00 0.00 177.43 175.50 3gnj h THR 10 N 0.15 1.38 0.22 2.81 2.02 -1.80 -2.46 112.91 115.23 3gnj h THR 10 Ca 0.15 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.18 3gnj h THR 10 Cb 0.17 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3gnj h THR 10 CO -0.21 0.64 -0.19 0.15 0.37 0.00 0.00 175.52 176.29 3gnj h PHE 11 N 0.26 -0.49 -0.20 3.16 3.04 -0.82 -0.36 116.94 121.53 3gnj h PHE 11 Ca -0.03 0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.97 3gnj h PHE 11 Cb 1.29 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 39.94 3gnj h PHE 11 CO 0.04 -0.29 -0.12 0.93 -2.02 0.00 0.00 178.31 176.85 3gnj h GLU 12 N -0.42 -0.11 0.45 1.11 4.39 -1.35 -0.86 114.58 117.79 3gnj h GLU 12 Ca -0.01 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3gnj h GLU 12 Cb 0.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3gnj h GLU 12 CO -0.03 -0.07 -0.31 0.37 -1.16 0.00 0.00 179.01 177.81 3gnj h GLN 13 N -0.11 -0.71 0.17 2.33 4.15 -1.35 -0.29 115.11 119.29 3gnj h GLN 13 Ca 0.11 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 3gnj h GLN 13 Cb 0.28 0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 3gnj h GLN 13 CO -0.27 -0.47 -0.10 -0.07 -1.93 0.00 0.00 178.83 175.99 3gnj h LEU 14 N -0.74 -0.25 0.24 -2.39 3.38 -0.97 -2.10 115.31 112.48 3gnj h LEU 14 Ca -0.05 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 3gnj h LEU 14 Cb 0.62 0.08 0.04 0.00 0.09 0.00 0.00 40.66 41.48 3gnj h LEU 14 CO 0.02 -0.17 -1.40 0.40 0.09 0.00 0.00 178.44 177.39 3gnj h ILE 15 N -0.26 1.30 0.01 1.22 2.04 -1.20 -2.12 117.51 118.51 3gnj h ILE 15 Ca -0.02 -2.66 -0.40 0.00 1.00 0.00 0.00 64.86 62.78 3gnj h ILE 15 Cb 0.22 3.04 -0.06 0.00 -0.74 0.00 0.00 36.82 39.27 3gnj h ILE 15 CO 0.02 0.80 -2.42 -1.22 0.00 0.00 0.00 178.15 175.32 3gnj n TYR 16 N -3.77 0.14 0.09 1.37 4.01 -0.15 -2.95 117.16 115.89 3gnj n TYR 16 Ca -0.16 0.04 -0.13 0.00 -0.16 0.00 0.00 57.90 57.48 3gnj n TYR 16 Cb 1.07 -1.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 3gnj n TYR 16 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3gnj h ASP 17 N -0.28 0.41 -0.01 7.72 3.32 -1.11 -3.35 116.42 123.12 3gnj h ASP 17 Ca -0.59 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.09 3gnj h ASP 17 Cb 1.82 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.24 3gnj h ASP 17 CO -0.17 1.22 -0.19 -0.62 -1.72 0.00 0.00 179.24 177.76 3gnj n GLU 18 N -3.63 1.59 -2.58 3.56 1.02 -0.83 -5.01 120.64 114.76 3gnj n GLU 18 Ca -0.06 -0.90 -0.18 0.00 -0.02 0.00 0.00 57.16 56.00 3gnj n GLU 18 Cb 0.90 -1.21 -0.00 0.00 -0.02 0.00 0.00 31.44 31.11 3gnj n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gnj n GLY 19 N 0.95 -0.50 3.67 0.62 0.00 -1.16 -4.89 105.19 103.87 3gnj n GLY 19 Ca 0.06 0.02 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 3gnj n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gnj n LYS 20 N -3.13 2.10 -2.62 1.61 3.00 -0.80 -0.03 118.16 118.29 3gnj n LYS 20 Ca -0.17 0.76 -0.43 0.00 -0.00 0.00 0.00 58.31 58.47 3gnj n LYS 20 Cb 0.64 -2.53 -0.02 0.00 0.00 0.00 0.00 35.03 33.12 3gnj n LYS 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gnj s ALA 21 N 1.24 3.36 0.29 3.14 0.00 -1.26 -3.79 121.76 124.73 3gnj s ALA 21 Ca 0.81 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 3gnj s ALA 21 Cb -0.69 -3.76 0.04 0.00 0.00 0.00 0.00 23.12 18.70 3gnj s ALA 21 CO 0.40 -1.80 0.78 0.00 0.00 0.00 0.00 175.76 175.14 3gnj s LEU 23 N -2.98 2.43 0.00 0.00 0.05 -0.28 -1.24 118.68 116.66 3gnj s LEU 23 Ca 0.13 -0.85 0.00 0.00 0.05 0.00 0.00 54.13 53.45 3gnj s LEU 23 Cb -0.05 -1.05 0.00 0.00 -2.05 0.00 0.00 46.19 43.04 3gnj s LEU 23 CO 0.08 0.07 0.00 0.52 -0.55 0.00 0.00 176.35 176.47 3gnj n VAL 24 N 0.33 0.00 -3.65 1.48 0.31 0.25 -1.28 118.33 115.77 3gnj n VAL 24 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.17 3gnj n VAL 24 Cb 0.56 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.44 3gnj n VAL 24 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3gnj s PHE 26 N -1.30 -1.22 0.26 3.52 0.08 0.24 -1.41 117.98 118.15 3gnj s PHE 26 Ca 0.00 2.21 -0.02 0.00 0.12 0.00 0.00 56.93 59.24 3gnj s PHE 26 Cb 0.00 0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 43.15 3gnj s PHE 26 CO 0.00 -0.61 0.29 0.45 -0.10 0.00 0.00 175.22 175.25 3gnj s SER 27 N 2.50 0.58 0.04 1.36 0.15 0.14 -2.22 113.70 116.24 3gnj s SER 27 Ca -0.07 -1.40 -0.04 0.00 0.70 0.00 0.00 55.95 55.14 3gnj s SER 27 Cb -0.10 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3gnj s SER 27 CO -0.19 -1.03 0.05 -0.60 1.20 0.00 0.00 173.24 172.67 3gnj s ARG 28 N -3.77 0.54 0.73 5.44 3.52 -1.26 -0.60 118.95 123.54 3gnj s ARG 28 Ca 0.35 -0.80 -0.14 0.00 -0.13 0.00 0.00 55.73 55.01 3gnj s ARG 28 Cb 0.03 0.20 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 3gnj s ARG 28 CO 0.16 -0.12 1.18 -1.59 -0.81 0.00 0.00 175.30 174.12 3gnj s LYS 29 N -2.58 2.21 -1.02 5.12 -2.85 -1.26 -4.12 119.74 115.24 3gnj s LYS 29 Ca -0.05 1.64 -0.03 0.00 -1.00 0.00 0.00 55.97 56.53 3gnj s LYS 29 Cb -0.01 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 3gnj s LYS 29 CO -0.05 -1.75 0.87 0.09 0.10 0.00 0.00 175.35 174.61 3gnj n ASN 30 N -2.78 -3.34 -3.81 0.03 4.13 -1.26 -4.98 115.26 103.24 3gnj n ASN 30 Ca 0.12 -0.48 -0.27 0.00 1.68 0.00 0.00 54.58 55.63 3gnj n ASN 30 Cb 0.51 -4.24 -0.16 0.00 -1.54 0.00 0.00 39.78 34.34 3gnj n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gnj h HIS 32 N 8.18 1.04 -0.17 0.00 2.76 -1.94 -1.46 115.15 123.57 3gnj h HIS 32 Ca -0.19 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 57.82 3gnj h HIS 32 Cb 1.11 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.77 3gnj h HIS 32 CO 0.39 0.87 -0.05 0.28 -1.30 0.00 0.00 177.93 178.12 3gnj h VAL 33 N 0.95 1.29 -0.76 5.26 2.07 -1.95 -2.12 116.25 120.99 3gnj h VAL 33 Ca 0.20 -1.04 0.17 0.00 0.82 0.00 0.00 66.70 66.85 3gnj h VAL 33 Cb 0.37 1.63 -0.12 0.00 -1.52 0.00 0.00 31.29 31.65 3gnj h VAL 33 CO 0.00 0.31 0.16 0.00 0.02 0.00 0.00 177.57 178.07 3gnj h GLN 35 N 0.24 0.00 0.06 0.00 1.08 -0.94 -1.42 115.11 114.13 3gnj h GLN 35 Ca 0.44 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.37 3gnj h GLN 35 Cb 0.78 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 3gnj h GLN 35 CO -0.56 0.05 -1.38 0.87 -0.95 0.00 0.00 178.83 176.86 3gnj h LYS 36 N 0.00 0.13 -0.13 1.46 1.57 -0.42 -3.39 116.57 115.79 3gnj h LYS 36 Ca -0.00 -0.22 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 3gnj h LYS 36 Cb 0.10 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3gnj h LYS 36 CO 0.01 0.97 -0.65 0.28 -0.57 0.00 0.00 179.45 179.50 3gnj h VAL 37 N 0.04 1.32 -0.44 0.50 2.07 -0.79 -3.32 116.25 115.63 3gnj h VAL 37 Ca -0.17 -1.90 0.09 0.00 0.82 0.00 0.00 66.70 65.54 3gnj h VAL 37 Cb 1.94 2.07 -0.09 0.00 -1.52 0.00 0.00 31.29 33.69 3gnj h VAL 37 CO 0.14 0.59 -0.15 0.74 0.02 0.00 0.00 177.57 178.91 3gnj h THR 38 N 0.35 0.48 -0.31 2.57 2.02 -1.46 -0.36 112.91 116.20 3gnj h THR 38 Ca -0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3gnj h THR 38 Cb 1.28 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3gnj h THR 38 CO 0.13 0.00 0.21 -0.65 0.37 0.00 0.00 175.52 175.58 3gnj h PRO 39 N -0.05 0.30 -0.10 6.66 0.11 -1.76 0.40 132.00 137.56 3gnj h PRO 39 Ca 0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 3gnj h PRO 39 Cb 0.38 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3gnj h PRO 39 CO -0.48 0.20 0.02 0.28 -0.21 0.00 0.00 178.00 177.80 3gnj h VAL 40 N 0.31 1.21 -0.72 3.15 2.07 -1.19 -1.06 116.25 120.01 3gnj h VAL 40 Ca 0.13 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 3gnj h VAL 40 Cb 0.13 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3gnj h VAL 40 CO -0.03 0.18 0.22 -0.07 0.02 0.00 0.00 177.57 177.90 3gnj h LEU 41 N -0.06 1.05 -0.44 2.57 3.38 -0.46 -2.61 115.31 118.75 3gnj h LEU 41 Ca 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3gnj h LEU 41 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3gnj h LEU 41 CO 0.00 0.98 0.25 -0.33 0.09 0.00 0.00 178.44 179.43 3gnj h GLU 42 N 1.08 0.60 -0.24 1.13 4.39 -0.16 -1.61 114.58 119.77 3gnj h GLU 42 Ca 0.23 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.91 3gnj h GLU 42 Cb 0.31 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3gnj h GLU 42 CO -0.01 0.47 0.01 1.49 -1.16 0.00 0.00 179.01 179.81 3gnj h GLU 43 N 0.58 0.09 -0.29 2.33 4.81 -1.14 -3.18 114.58 117.77 3gnj h GLU 43 Ca 0.16 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3gnj h GLU 43 Cb 0.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3gnj h GLU 43 CO -0.03 0.06 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.10 3gnj h LEU 44 N 0.09 0.48 -1.08 1.64 4.07 -1.22 -3.03 115.31 116.26 3gnj h LEU 44 Ca 0.11 -0.13 0.28 0.00 0.08 0.00 0.00 57.88 58.23 3gnj h LEU 44 Cb 0.14 -0.13 -0.13 0.00 1.08 0.00 0.00 40.66 41.62 3gnj h LEU 44 CO -0.18 0.65 0.61 -0.09 -1.08 0.00 0.00 178.44 178.35 3gnj h ARG 45 N 0.45 0.44 -0.00 1.13 1.12 -1.27 0.10 114.38 116.35 3gnj h ARG 45 Ca 0.08 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 3gnj h ARG 45 Cb 0.51 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.37 3gnj h ARG 45 CO 0.03 0.29 0.00 -0.07 -3.11 0.00 0.00 179.97 177.12 3gnj h LEU 46 N 0.45 0.00 -0.05 3.80 3.38 -1.65 -2.34 115.31 118.90 3gnj h LEU 46 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 3gnj h LEU 46 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3gnj h LEU 46 CO -0.48 0.00 -0.06 0.59 0.09 0.00 0.00 178.44 178.57 3gnj n ASN 47 N -4.36 0.15 -4.33 -0.43 3.02 0.35 -4.84 115.26 104.83 3gnj n ASN 47 Ca -0.03 -0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.14 3gnj n ASN 47 Cb 0.09 -0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 38.86 3gnj n ASN 47 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gnj s TYR 48 N -2.70 2.31 0.90 3.10 2.02 -0.88 -5.14 117.35 116.95 3gnj s TYR 48 Ca 0.23 -0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 56.41 3gnj s TYR 48 Cb 0.20 -1.42 0.14 0.00 -0.40 0.00 0.00 41.96 40.48 3gnj s TYR 48 CO 0.50 0.07 1.13 -1.21 -1.57 0.00 0.00 175.55 174.47 3gnj s GLU 49 N -1.02 1.16 0.52 -0.62 2.02 -1.26 -4.91 118.70 114.58 3gnj s GLU 49 Ca 0.11 1.40 0.35 0.00 0.02 0.00 0.00 54.97 56.85 3gnj s GLU 49 Cb -0.10 -1.75 1.77 0.00 0.10 0.00 0.00 34.13 34.15 3gnj s GLU 49 CO 0.01 -2.49 2.06 0.93 0.02 0.00 0.00 175.26 175.80 3gnj h GLU 50 N -1.76 0.00 -0.88 1.61 4.39 -2.00 -0.87 114.58 115.07 3gnj h GLU 50 Ca -0.45 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.42 3gnj h GLU 50 Cb 1.27 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.75 3gnj h GLU 50 CO 0.44 0.00 -0.28 0.66 -1.16 0.00 0.00 179.01 178.68 3gnj h SER 51 N 0.00 -1.01 -3.51 1.42 4.64 -1.94 -3.38 113.55 109.76 3gnj h SER 51 Ca 0.00 0.27 -0.61 0.00 -0.47 0.00 0.00 61.79 60.99 3gnj h SER 51 Cb 0.15 0.61 -0.12 0.00 -0.31 0.00 0.00 62.40 62.73 3gnj h SER 51 CO 0.00 -0.30 0.01 0.12 -0.87 0.00 0.00 176.83 175.80 3gnj s PHE 52 N -6.15 3.31 0.08 4.77 5.36 -0.33 -4.50 117.98 120.52 3gnj s PHE 52 Ca -0.15 0.73 -0.08 0.00 -0.96 0.00 0.00 56.93 56.48 3gnj s PHE 52 Cb 0.23 -2.72 -0.05 0.00 -0.34 0.00 0.00 43.02 40.13 3gnj s PHE 52 CO 0.75 -0.21 0.36 0.20 -1.46 0.00 0.00 175.22 174.86 3gnj s GLY 53 N 1.37 2.30 -0.23 13.12 0.00 -0.71 -4.82 107.32 118.34 3gnj s GLY 53 Ca 0.23 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.50 3gnj s GLY 53 CO 0.09 -0.28 -0.06 -1.36 0.00 0.00 0.00 173.10 171.49 3gnj s PHE 54 N -1.43 2.42 0.27 1.90 0.08 -1.26 -1.12 117.98 118.83 3gnj s PHE 54 Ca 0.33 -1.75 0.09 0.00 0.12 0.00 0.00 56.93 55.73 3gnj s PHE 54 Cb -0.13 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 3gnj s PHE 54 CO 0.19 -0.77 -0.13 0.71 -0.10 0.00 0.00 175.22 175.12 3gnj s TYR 55 N 1.39 2.07 0.13 0.36 2.02 -0.40 -3.14 117.35 119.77 3gnj s TYR 55 Ca -0.05 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 3gnj s TYR 55 Cb -0.19 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 3gnj s TYR 55 CO -0.06 0.48 -0.09 1.52 -1.57 0.00 0.00 175.55 175.83 3gnj s TYR 56 N -2.78 1.14 -0.06 2.71 -0.85 -0.30 -4.28 117.35 112.92 3gnj s TYR 56 Ca 0.28 -0.78 0.03 0.00 -0.52 0.00 0.00 57.07 56.08 3gnj s TYR 56 Cb -0.00 -0.60 0.01 0.00 0.38 0.00 0.00 41.96 41.74 3gnj s TYR 56 CO 0.12 0.01 -0.16 0.08 -1.52 0.00 0.00 175.55 174.09 3gnj s VAL 57 N -3.26 1.38 -0.35 -3.49 1.01 -1.26 -0.82 120.40 113.61 3gnj s VAL 57 Ca 0.14 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3gnj s VAL 57 Cb 0.02 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3gnj s VAL 57 CO -0.01 0.41 0.99 -0.62 0.00 0.00 0.00 175.10 175.86 3gnj s ASP 58 N 0.38 6.78 0.50 3.32 -1.08 -1.26 -0.69 116.67 124.63 3gnj s ASP 58 Ca -0.11 0.79 0.33 0.00 -0.52 0.00 0.00 52.55 53.04 3gnj s ASP 58 Cb -0.14 -2.50 1.54 0.00 -1.46 0.00 0.00 42.92 40.36 3gnj s ASP 58 CO 0.04 -0.86 2.00 -0.37 0.52 0.00 0.00 175.17 176.49 3gnj h VAL 59 N 5.78 0.00 -0.00 1.11 -1.51 -1.17 -0.34 116.25 120.12 3gnj h VAL 59 Ca -0.22 -0.28 -0.24 0.00 -1.23 0.00 0.00 66.70 64.73 3gnj h VAL 59 Cb 1.07 1.17 0.01 0.00 -2.13 0.00 0.00 31.29 31.41 3gnj h VAL 59 CO 1.00 0.00 -0.98 -0.33 -1.23 0.00 0.00 177.57 176.03 3gnj h GLU 60 N 0.00 0.52 0.00 5.19 4.39 -1.92 -3.19 114.58 119.56 3gnj h GLU 60 Ca 0.00 -0.56 -0.27 0.00 0.34 0.00 0.00 59.36 58.87 3gnj h GLU 60 Cb 0.30 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 3gnj h GLU 60 CO 0.00 1.19 -1.56 0.93 -1.16 0.00 0.00 179.01 178.41 3gnj h GLU 61 N 0.29 0.00 -1.93 2.33 5.08 -1.86 -3.38 114.58 115.11 3gnj h GLU 61 Ca -0.10 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.60 3gnj h GLU 61 Cb 1.62 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.50 3gnj h GLU 61 CO 0.18 0.57 -0.08 0.39 -1.00 0.00 0.00 179.01 179.07 3gnj n GLU 62 N -3.09 3.53 -0.16 2.33 -0.58 -0.17 -4.89 120.64 117.61 3gnj n GLU 62 Ca -0.13 -4.43 -0.07 0.00 -0.42 0.00 0.00 57.16 52.11 3gnj n GLU 62 Cb 1.02 -2.28 0.01 0.00 -0.57 0.00 0.00 31.44 29.62 3gnj n GLU 62 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3gnj h LYS 63 N 3.01 0.63 -0.34 3.49 1.57 -1.74 -1.92 116.57 121.27 3gnj h LYS 63 Ca 0.34 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.97 3gnj h LYS 63 Cb 0.54 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3gnj h LYS 63 CO 1.01 0.43 -0.25 1.79 -0.57 0.00 0.00 179.45 181.86 3gnj h THR 64 N 0.64 1.27 -0.02 -0.16 1.35 -1.90 0.38 112.91 114.48 3gnj h THR 64 Ca 0.17 -1.35 0.01 0.00 -0.55 0.00 0.00 66.41 64.70 3gnj h THR 64 Cb -0.06 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3gnj h THR 64 CO -0.04 0.44 -0.05 0.25 -0.25 0.00 0.00 175.52 175.88 3gnj h LEU 65 N 0.59 -0.14 -0.47 3.87 6.46 -1.93 -0.04 115.31 123.65 3gnj h LEU 65 Ca 0.08 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3gnj h LEU 65 Cb 0.74 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 3gnj h LEU 65 CO 0.06 -0.07 0.30 0.15 -0.62 0.00 0.00 178.44 178.25 3gnj h PHE 66 N -0.08 0.56 -0.56 1.25 3.57 -1.02 -2.47 116.94 118.18 3gnj h PHE 66 Ca 0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3gnj h PHE 66 Cb 0.11 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3gnj h PHE 66 CO -0.13 0.34 0.37 1.96 -2.23 0.00 0.00 178.31 178.62 3gnj h GLN 67 N 0.60 0.66 -0.87 1.11 4.20 -0.06 -2.52 115.11 118.24 3gnj h GLN 67 Ca 0.18 -0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.01 3gnj h GLN 67 Cb -0.03 -0.15 -0.10 0.00 0.30 0.00 0.00 27.48 27.50 3gnj h GLN 67 CO -0.06 0.44 0.45 -0.09 -0.67 0.00 0.00 178.83 178.90 3gnj h ARG 68 N 0.68 0.60 -0.00 1.46 2.43 -0.51 -2.02 114.38 117.02 3gnj h ARG 68 Ca 0.22 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3gnj h ARG 68 Cb 0.04 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3gnj h ARG 68 CO -0.06 0.39 -0.09 1.19 -1.51 0.00 0.00 179.97 179.90 3gnj n PHE 69 N -4.88 0.00 -4.19 2.20 3.72 -0.95 -4.96 117.46 108.39 3gnj n PHE 69 Ca 0.18 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.22 3gnj n PHE 69 Cb 0.47 -0.26 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3gnj n PHE 69 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3gnj n SER 70 N -1.17 -0.98 -4.79 4.37 3.41 -0.76 -4.92 113.62 108.78 3gnj n SER 70 Ca 0.13 -1.25 -0.37 0.00 -0.26 0.00 0.00 58.87 57.11 3gnj n SER 70 Cb 0.28 -1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 62.63 3gnj n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gnj s LEU 71 N -7.33 4.42 -0.46 1.04 1.43 -1.26 -5.04 118.68 111.49 3gnj s LEU 71 Ca 0.19 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.77 3gnj s LEU 71 Cb -0.11 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.60 3gnj s LEU 71 CO 0.96 0.06 0.34 -0.54 0.23 0.00 0.00 176.35 177.40 3gnj s LYS 72 N -1.75 2.68 0.00 1.70 -0.14 -1.26 -4.98 119.74 115.99 3gnj s LYS 72 Ca 0.43 -1.55 0.00 0.00 -1.36 0.00 0.00 55.97 53.48 3gnj s LYS 72 Cb -0.19 -3.94 0.00 0.00 -1.68 0.00 0.00 37.83 32.01 3gnj s LYS 72 CO 0.23 -1.08 0.00 0.41 -0.76 0.00 0.00 175.35 174.16 3gnj n GLY 73 N 5.00 1.28 3.32 -3.33 0.00 -1.26 -5.02 105.19 105.18 3gnj n GLY 73 Ca -0.10 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 3gnj n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gnj s VAL 74 N -2.73 1.70 0.77 1.61 -7.23 -1.26 -4.54 120.40 108.72 3gnj s VAL 74 Ca 0.00 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 3gnj s VAL 74 Cb 0.00 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 35.12 3gnj s VAL 74 CO 0.00 -0.46 1.09 -2.16 -0.31 0.00 0.00 175.10 173.26 3gnj s PRO 75 N -3.14 2.33 0.00 4.82 0.04 -1.26 -4.77 135.00 133.01 3gnj s PRO 75 Ca 0.17 0.66 0.01 0.00 0.04 0.00 0.00 61.00 61.89 3gnj s PRO 75 Cb -0.03 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 3gnj s PRO 75 CO 0.06 -1.45 -0.04 -0.65 0.04 0.00 0.00 177.00 174.96 3gnj s GLN 76 N -5.17 0.33 -0.20 4.56 -1.52 -0.94 -0.76 119.66 115.95 3gnj s GLN 76 Ca 0.60 -0.19 -0.02 0.00 -1.95 0.00 0.00 55.36 53.80 3gnj s GLN 76 Cb -0.14 -0.29 0.00 0.00 -0.22 0.00 0.00 33.01 32.36 3gnj s GLN 76 CO 0.54 0.08 -0.10 0.42 -0.25 0.00 0.00 175.29 175.98 3gnj s ILE 77 N -0.21 2.88 -0.01 1.08 1.01 -1.26 0.81 121.20 125.50 3gnj s ILE 77 Ca 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 3gnj s ILE 77 Cb -0.02 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3gnj s ILE 77 CO -0.00 0.47 0.06 -0.76 0.00 0.00 0.00 174.94 174.70 3gnj s LEU 78 N 1.40 3.80 -0.04 2.97 1.02 -0.50 -4.24 118.68 123.10 3gnj s LEU 78 Ca 0.05 0.12 0.06 0.00 0.02 0.00 0.00 54.13 54.39 3gnj s LEU 78 Cb -0.14 -2.17 -0.02 0.00 0.02 0.00 0.00 46.19 43.88 3gnj s LEU 78 CO -0.07 0.29 -0.23 -0.31 0.02 0.00 0.00 176.35 176.05 3gnj s TYR 79 N -1.14 2.45 0.11 0.29 2.02 0.04 -0.58 117.35 120.54 3gnj s TYR 79 Ca 0.21 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3gnj s TYR 79 Cb -0.12 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3gnj s TYR 79 CO 0.12 -0.02 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.93 3gnj s PHE 80 N -0.52 1.02 -0.29 2.71 0.08 -0.37 -0.57 117.98 120.04 3gnj s PHE 80 Ca 0.07 -0.84 -0.22 0.00 0.12 0.00 0.00 56.93 56.06 3gnj s PHE 80 Cb -0.11 -0.56 0.17 0.00 -0.57 0.00 0.00 43.02 41.95 3gnj s PHE 80 CO 0.00 -0.06 1.23 0.21 -0.10 0.00 0.00 175.22 176.50 3gnj s LYS 81 N -3.72 0.22 -1.22 0.44 2.20 -0.80 -2.04 119.74 114.82 3gnj s LYS 81 Ca 0.13 0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.97 3gnj s LYS 81 Cb 0.04 0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.50 3gnj s LYS 81 CO -0.03 -0.03 0.40 -0.25 -0.36 0.00 0.00 175.35 175.08 3gnj n ASP 82 N 2.42 -3.72 0.00 1.43 8.00 0.95 -0.59 116.55 125.03 3gnj n ASP 82 Ca -0.14 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3gnj n ASP 82 Cb 0.57 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.57 3gnj n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gnj n GLY 83 N -1.11 2.10 3.84 0.44 0.00 -1.15 -4.85 105.19 104.45 3gnj n GLY 83 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3gnj n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gnj s GLU 84 N -0.20 4.09 -0.46 1.61 2.02 0.24 -4.91 118.70 121.09 3gnj s GLU 84 Ca 0.00 0.69 -0.15 0.00 0.02 0.00 0.00 54.97 55.53 3gnj s GLU 84 Cb 0.00 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.56 3gnj s GLU 84 CO 0.00 0.33 0.37 -0.47 0.02 0.00 0.00 175.26 175.51 3gnj s TYR 85 N -1.68 3.25 -0.14 1.61 6.04 -1.26 -1.90 117.35 123.27 3gnj s TYR 85 Ca 0.46 -0.91 0.15 0.00 0.04 0.00 0.00 57.07 56.81 3gnj s TYR 85 Cb -0.14 -3.04 -0.00 0.00 -1.04 0.00 0.00 41.96 37.74 3gnj s TYR 85 CO 0.20 -0.76 1.26 0.87 -1.54 0.00 0.00 175.55 175.58 3gnj h LYS 86 N 8.70 0.00 0.00 4.97 1.79 -1.19 -3.50 116.57 127.34 3gnj h LYS 86 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3gnj h LYS 86 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3gnj h LYS 86 CO 0.84 0.46 0.00 0.41 -1.08 0.00 0.00 179.45 180.08 3gnj n GLY 87 N 1.27 -0.43 0.00 3.86 0.00 -1.24 -4.99 105.19 103.67 3gnj n GLY 87 Ca -0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3gnj n GLY 87 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gnj n LYS 88 N -0.83 0.00 -3.58 1.61 2.85 -1.26 -0.78 118.16 116.17 3gnj n LYS 88 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 3gnj n LYS 88 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 3gnj n LYS 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gnj s ALA 90 N -1.70 -1.93 0.00 0.58 0.00 -1.26 -4.98 121.76 112.48 3gnj s ALA 90 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3gnj s ALA 90 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.34 3gnj s ALA 90 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3gnj n GLY 91 N 0.95 -1.12 3.77 0.00 0.00 0.06 -4.83 105.19 104.03 3gnj n GLY 91 Ca -0.11 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3gnj n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gnj s ASP 92 N -4.00 6.65 0.04 1.61 2.15 -1.26 -4.73 116.67 117.13 3gnj s ASP 92 Ca 0.00 2.61 0.02 0.00 0.43 0.00 0.00 52.55 55.62 3gnj s ASP 92 Cb 0.00 -2.64 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3gnj s ASP 92 CO 0.00 -0.61 -0.08 0.68 -0.17 0.00 0.00 175.17 174.99 3gnj s VAL 93 N -1.21 0.56 0.30 1.11 -7.23 -1.26 -5.14 120.40 107.54 3gnj s VAL 93 Ca 0.52 -1.09 -0.07 0.00 -1.81 0.00 0.00 61.98 59.52 3gnj s VAL 93 Cb -0.38 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 3gnj s VAL 93 CO 0.49 -0.37 0.60 -1.61 -0.31 0.00 0.00 175.10 173.90 3gnj s GLU 94 N -1.59 3.71 0.34 4.82 0.41 -1.26 -4.91 118.70 120.22 3gnj s GLU 94 Ca -0.10 0.18 0.04 0.00 -0.41 0.00 0.00 54.97 54.69 3gnj s GLU 94 Cb -0.10 -2.59 0.60 0.00 -1.78 0.00 0.00 34.13 30.26 3gnj s GLU 94 CO 0.00 0.18 1.88 0.38 -0.49 0.00 0.00 175.26 177.21 3gnj h ASP 95 N 1.80 0.50 -0.40 -0.19 3.04 -1.99 -2.26 116.42 116.91 3gnj h ASP 95 Ca -0.47 -0.09 -0.09 0.00 -3.24 0.00 0.00 57.03 53.14 3gnj h ASP 95 Cb 1.18 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 39.33 3gnj h ASP 95 CO 0.66 0.56 -0.07 -2.24 -2.04 0.00 0.00 179.24 176.12 3gnj h ASP 96 N 0.51 0.81 0.59 4.15 2.03 -1.98 0.16 116.42 122.69 3gnj h ASP 96 Ca 0.11 -0.23 -0.02 0.00 -0.73 0.00 0.00 57.03 56.16 3gnj h ASP 96 Cb 0.33 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 3gnj h ASP 96 CO 0.01 0.92 -0.39 -0.08 -1.03 0.00 0.00 179.24 178.66 3gnj h GLU 97 N 0.76 -0.90 -0.13 4.15 4.81 -1.93 -0.31 114.58 121.02 3gnj h GLU 97 Ca 0.13 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3gnj h GLU 97 Cb 0.55 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 3gnj h GLU 97 CO 0.03 -0.60 -0.20 0.28 -0.73 0.00 0.00 179.01 177.79 3gnj h VAL 98 N -0.94 0.49 -0.85 0.32 2.07 -1.36 -2.79 116.25 113.20 3gnj h VAL 98 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 3gnj h VAL 98 Cb 0.77 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 3gnj h VAL 98 CO 0.05 0.00 0.47 -0.33 0.02 0.00 0.00 177.57 177.78 3gnj h GLU 99 N -0.26 0.70 -1.26 1.57 5.08 -0.57 -1.20 114.58 118.64 3gnj h GLU 99 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gnj h GLU 99 Cb 0.40 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3gnj h GLU 99 CO -0.28 0.47 0.00 0.94 -1.00 0.00 0.00 179.01 179.14 3gnj n GLN 100 N -4.79 0.46 0.00 2.33 -0.06 -0.14 -1.88 117.38 113.29 3gnj n GLN 100 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 3gnj n GLN 100 Cb 0.36 -1.26 0.00 0.00 -4.06 0.00 0.00 30.24 25.28 3gnj n GLN 100 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3gnj n ILE 102 N 0.64 0.00 -0.10 1.69 5.41 -0.46 -1.91 119.36 124.64 3gnj n ILE 102 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3gnj n ILE 102 Cb 0.20 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.11 3gnj n ILE 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gnj h ALA 103 N 0.00 0.40 -0.21 -1.39 0.00 -1.64 -1.44 119.26 114.98 3gnj h ALA 103 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gnj h ALA 103 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gnj h ALA 103 CO 0.00 -0.04 0.11 -0.44 0.00 0.00 0.00 179.25 178.88 3gnj h ASP 104 N 0.36 0.26 -0.49 0.00 3.32 -1.67 -1.14 116.42 117.07 3gnj h ASP 104 Ca 0.11 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.12 3gnj h ASP 104 Cb 0.12 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 3gnj h ASP 104 CO -0.01 0.28 0.19 0.58 -1.72 0.00 0.00 179.24 178.56 3gnj h VAL 105 N 0.22 0.86 0.00 -1.35 2.07 -1.82 -1.52 116.25 114.72 3gnj h VAL 105 Ca 0.07 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3gnj h VAL 105 Cb 0.08 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3gnj h VAL 105 CO -0.01 0.07 0.00 -0.07 0.02 0.00 0.00 177.57 177.58 3gnj h LEU 106 N 0.38 0.00 -0.19 2.57 3.38 -0.72 -3.26 115.31 117.47 3gnj h LEU 106 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3gnj h LEU 106 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3gnj h LEU 106 CO -0.22 0.00 -0.26 -1.84 0.09 0.00 0.00 178.44 176.21 3gnj n GLU 107 N -2.40 0.41 -0.17 1.13 0.28 -0.48 -5.08 120.64 114.33 3gnj n GLU 107 Ca 0.03 -0.19 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 3gnj n GLU 107 Cb 0.32 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.69 3gnj n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57