#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnj s ASN -1 N 0.00 2.85 0.00 4.04 2.47 -1.26 -5.33 114.94 117.71 3gnj s ASN -1 Ca 0.00 -1.36 0.00 0.00 0.42 0.00 0.00 52.86 51.92 3gnj s ASN -1 Cb 0.00 -0.18 0.00 0.00 -1.45 0.00 0.00 41.25 39.62 3gnj s ASN -1 CO 0.00 -0.54 0.00 0.00 -3.72 0.00 0.00 177.10 172.84 3gnj n ALA 0 N -0.76 0.00 -1.88 1.71 0.00 -1.26 -5.21 120.51 113.10 3gnj n ALA 0 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 3gnj n ALA 0 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 3gnj n ALA 0 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gnj n SER 2 N 0.00 -0.26 -4.76 0.00 3.41 -1.26 -5.04 113.62 105.70 3gnj n SER 2 Ca 0.00 -1.13 -0.40 0.00 -0.26 0.00 0.00 58.87 57.09 3gnj n SER 2 Cb 0.00 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.00 4.42 0.04 1.04 1.43 -1.26 -4.96 118.68 119.39 3gnj s LEU 3 Ca 0.00 2.39 -0.30 0.00 -1.03 0.00 0.00 54.13 55.19 3gnj s LEU 3 Cb 0.00 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3gnj s LEU 3 CO 0.00 -0.38 1.96 -0.70 0.23 0.00 0.00 176.35 177.47 3gnj s GLU 4 N -1.77 4.14 -0.26 1.70 2.12 -1.25 -4.79 118.70 118.58 3gnj s GLU 4 Ca 0.49 2.61 -0.21 0.00 0.36 0.00 0.00 54.97 58.23 3gnj s GLU 4 Cb -0.33 -4.15 -0.02 0.00 0.26 0.00 0.00 34.13 29.89 3gnj s GLU 4 CO 0.43 -0.95 0.64 0.21 -0.54 0.00 0.00 175.26 175.05 3gnj s LYS 5 N 4.42 4.08 -0.10 4.30 2.20 -1.26 -1.25 119.74 132.13 3gnj s LYS 5 Ca 0.88 0.53 -0.06 0.00 -0.36 0.00 0.00 55.97 56.96 3gnj s LYS 5 Cb -0.43 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 3gnj s LYS 5 CO 0.41 -0.45 0.13 -0.51 -0.36 0.00 0.00 175.35 174.57 3gnj s LEU 6 N 2.55 4.28 0.56 5.43 1.43 0.47 -4.95 118.68 128.45 3gnj s LEU 6 Ca 0.27 0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.87 3gnj s LEU 6 Cb -0.15 -2.10 0.08 0.00 0.03 0.00 0.00 46.19 44.05 3gnj s LEU 6 CO 0.09 0.39 0.77 1.51 0.23 0.00 0.00 176.35 179.34 3gnj s ASP 7 N -1.12 5.14 0.19 2.29 1.47 -1.26 -4.59 116.67 118.78 3gnj s ASP 7 Ca 0.16 -0.79 -0.12 0.00 1.18 0.00 0.00 52.55 52.98 3gnj s ASP 7 Cb -0.12 0.18 0.12 0.00 -0.34 0.00 0.00 42.92 42.76 3gnj s ASP 7 CO 0.06 -1.30 1.85 0.74 0.68 0.00 0.00 175.17 177.20 3gnj h THR 8 N 0.21 1.14 0.03 2.11 2.02 -1.96 -0.72 112.91 115.73 3gnj h THR 8 Ca -0.31 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3gnj h THR 8 Cb 1.29 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3gnj h THR 8 CO 0.41 0.15 -0.11 -1.13 0.37 0.00 0.00 175.52 175.21 3gnj h ASN 9 N 0.83 -0.32 0.86 4.18 -1.24 -1.99 -0.50 115.58 117.40 3gnj h ASN 9 Ca 0.23 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.18 3gnj h ASN 9 Cb -0.07 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 3gnj h ASN 9 CO -0.06 -0.16 -0.50 0.74 -1.29 0.00 0.00 177.43 176.15 3gnj h THR 10 N -0.20 1.11 0.25 -3.57 2.02 -1.91 -0.75 112.91 109.85 3gnj h THR 10 Ca 0.03 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 3gnj h THR 10 Cb 0.24 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3gnj h THR 10 CO -0.09 0.49 -0.13 0.15 0.37 0.00 0.00 175.52 176.31 3gnj h PHE 11 N 0.00 -0.33 -0.58 3.16 3.04 -0.94 -0.37 116.94 120.91 3gnj h PHE 11 Ca -0.01 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.99 3gnj h PHE 11 Cb 1.07 0.11 -0.05 0.00 2.56 0.00 0.00 35.95 39.64 3gnj h PHE 11 CO 0.00 -0.21 0.30 0.93 -2.02 0.00 0.00 178.31 177.31 3gnj h GLU 12 N -0.35 0.55 -0.07 1.11 5.08 -0.81 0.17 114.58 120.25 3gnj h GLU 12 Ca -0.03 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3gnj h GLU 12 Cb 0.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3gnj h GLU 12 CO 0.05 0.36 -0.06 0.37 -1.00 0.00 0.00 179.01 178.73 3gnj h GLN 13 N 0.56 -0.08 0.20 2.33 4.15 -0.97 0.14 115.11 121.45 3gnj h GLN 13 Ca 0.26 0.01 -0.29 0.00 0.77 0.00 0.00 58.65 59.40 3gnj h GLN 13 Cb 0.18 0.02 0.03 0.00 0.21 0.00 0.00 27.48 27.92 3gnj h GLN 13 CO -0.18 -0.05 -1.30 -0.07 -1.93 0.00 0.00 178.83 175.30 3gnj h LEU 14 N -0.08 0.67 0.04 -2.39 3.38 -0.82 0.32 115.31 116.43 3gnj h LEU 14 Ca 0.05 -0.93 -0.21 0.00 0.09 0.00 0.00 57.88 56.89 3gnj h LEU 14 Cb 0.15 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.70 3gnj h LEU 14 CO -0.12 1.62 -0.83 0.40 0.09 0.00 0.00 178.44 179.59 3gnj h ILE 15 N -0.05 1.38 0.00 1.22 5.03 -0.71 0.12 117.51 124.50 3gnj h ILE 15 Ca -0.24 -2.23 -0.46 0.00 -0.12 0.00 0.00 64.86 61.82 3gnj h ILE 15 Cb 1.97 2.64 -0.07 0.00 -3.03 0.00 0.00 36.82 38.33 3gnj h ILE 15 CO 0.21 0.66 -2.51 -1.22 -0.68 0.00 0.00 178.15 174.61 3gnj n TYR 16 N -4.06 0.00 0.28 1.37 4.01 0.39 -2.98 117.16 116.18 3gnj n TYR 16 Ca -0.11 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.47 3gnj n TYR 16 Cb 0.79 -0.98 -0.08 0.00 -0.31 0.00 0.00 39.34 38.76 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 -1.00 -0.60 1.42 7.72 5.19 -1.03 -3.28 116.42 124.84 3gnj h ASP 17 Ca -0.69 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.68 3gnj h ASP 17 Cb 1.60 0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.27 3gnj h ASP 17 CO -0.42 -0.31 -0.41 -0.33 -3.12 0.00 0.00 179.24 174.66 3gnj h GLU 18 N -0.89 0.00 -3.11 3.56 5.08 -1.02 -3.48 114.58 114.72 3gnj h GLU 18 Ca -0.07 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.00 3gnj h GLU 18 Cb 0.61 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.90 3gnj h GLU 18 CO 0.12 0.00 -0.42 0.41 -1.00 0.00 0.00 179.01 178.12 3gnj n GLY 19 N 1.20 -0.18 3.75 -3.84 0.00 -0.84 -4.90 105.19 100.38 3gnj n GLY 19 Ca 0.03 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3gnj n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnj n LYS 20 N -2.96 2.40 -2.60 1.61 4.76 -0.03 -0.58 118.16 120.76 3gnj n LYS 20 Ca -0.10 0.85 -0.43 0.00 -2.87 0.00 0.00 58.31 55.76 3gnj n LYS 20 Cb 0.59 -2.56 -0.02 0.00 -1.84 0.00 0.00 35.03 31.20 3gnj n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gnj s ALA 21 N -1.14 3.36 0.28 7.82 0.00 -1.26 -3.92 121.76 126.90 3gnj s ALA 21 Ca 0.56 -0.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 3gnj s ALA 21 Cb -0.49 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 18.89 3gnj s ALA 21 CO 0.62 -1.80 0.75 0.00 0.00 0.00 0.00 175.76 175.32 3gnj s LEU 23 N -2.94 2.45 0.00 0.00 0.05 0.59 -1.96 118.68 116.87 3gnj s LEU 23 Ca 0.12 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.42 3gnj s LEU 23 Cb -0.06 -1.00 0.00 0.00 -2.05 0.00 0.00 46.19 43.08 3gnj s LEU 23 CO 0.07 0.04 0.00 0.52 -0.55 0.00 0.00 176.35 176.43 3gnj n VAL 24 N 0.20 0.00 -3.39 1.48 0.31 0.68 -0.58 118.33 117.04 3gnj n VAL 24 Ca -0.12 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.23 3gnj n VAL 24 Cb 0.57 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.46 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 -0.44 -0.89 0.24 3.52 0.08 0.28 -1.13 117.98 119.65 3gnj s PHE 26 Ca 0.00 1.37 -0.06 0.00 0.12 0.00 0.00 56.93 58.36 3gnj s PHE 26 Cb 0.00 0.47 0.02 0.00 -0.57 0.00 0.00 43.02 42.95 3gnj s PHE 26 CO 0.00 -0.45 0.43 -1.13 -0.10 0.00 0.00 175.22 173.96 3gnj n SER 27 N 5.19 -1.23 -4.47 1.36 3.41 -0.42 -1.76 113.62 115.70 3gnj n SER 27 Ca -0.08 -2.10 -0.24 0.00 -0.26 0.00 0.00 58.87 56.18 3gnj n SER 27 Cb 0.52 2.13 -0.10 0.00 -0.26 0.00 0.00 64.21 66.50 3gnj n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gnj s ARG 28 N -2.24 1.69 0.46 4.33 1.04 -1.26 -0.54 118.95 122.42 3gnj s ARG 28 Ca 0.14 -1.78 0.11 0.00 -1.04 0.00 0.00 55.73 53.16 3gnj s ARG 28 Cb -0.02 -1.76 1.04 0.00 -2.04 0.00 0.00 34.95 32.17 3gnj s ARG 28 CO 0.10 0.32 2.09 0.87 -0.04 0.00 0.00 175.30 178.64 3gnj h LYS 29 N 2.26 0.31 -0.10 3.89 1.57 -2.00 -3.18 116.57 119.32 3gnj h LYS 29 Ca -0.40 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3gnj h LYS 29 Cb 1.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3gnj h LYS 29 CO 0.61 0.21 0.00 0.09 -0.57 0.00 0.00 179.45 179.78 3gnj n ASN 30 N -4.50 1.22 -4.67 0.86 3.02 -1.26 -4.92 115.26 105.01 3gnj n ASN 30 Ca 0.01 -1.57 -0.40 0.00 -0.03 0.00 0.00 54.58 52.59 3gnj n ASN 30 Cb 0.10 -0.06 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 3gnj n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gnj h HIS 32 N 7.29 0.32 -0.31 0.00 3.86 -1.93 -0.78 115.15 123.60 3gnj h HIS 32 Ca -0.33 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.87 3gnj h HIS 32 Cb 1.15 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.50 3gnj h HIS 32 CO 0.70 0.34 0.20 0.28 0.86 0.00 0.00 177.93 180.31 3gnj h VAL 33 N 0.21 1.06 -1.00 2.45 2.07 -1.96 -1.31 116.25 117.77 3gnj h VAL 33 Ca 0.07 -0.14 0.20 0.00 0.82 0.00 0.00 66.70 67.66 3gnj h VAL 33 Cb 0.15 0.62 -0.11 0.00 -1.52 0.00 0.00 31.29 30.43 3gnj h VAL 33 CO -0.01 0.07 0.61 0.00 0.02 0.00 0.00 177.57 178.27 3gnj h GLN 35 N 0.69 0.00 0.01 0.00 4.20 0.01 -1.68 115.11 118.35 3gnj h GLN 35 Ca 0.58 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 59.10 3gnj h GLN 35 Cb 1.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 3gnj h GLN 35 CO -0.38 0.07 -0.89 -0.22 -0.67 0.00 0.00 178.83 176.74 3gnj h LYS 36 N 0.00 0.13 0.03 1.46 3.64 -0.82 -3.35 116.57 117.65 3gnj h LYS 36 Ca -0.00 -0.15 -0.21 0.00 -1.27 0.00 0.00 60.65 59.02 3gnj h LYS 36 Cb 0.71 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3gnj h LYS 36 CO 0.01 0.93 -0.98 0.28 -2.27 0.00 0.00 179.45 177.42 3gnj h VAL 37 N 0.06 1.58 -0.23 2.00 2.07 -1.01 -3.36 116.25 117.37 3gnj h VAL 37 Ca -0.04 -3.01 0.04 0.00 0.82 0.00 0.00 66.70 64.52 3gnj h VAL 37 Cb 1.54 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.97 3gnj h VAL 37 CO 0.13 0.87 -0.02 0.74 0.02 0.00 0.00 177.57 179.31 3gnj h THR 38 N 0.05 0.82 0.00 2.57 2.02 -1.46 -2.01 112.91 114.89 3gnj h THR 38 Ca -0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3gnj h THR 38 Cb 1.68 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3gnj h THR 38 CO 0.14 0.01 -0.04 -0.65 0.37 0.00 0.00 175.52 175.35 3gnj h PRO 39 N 0.05 0.00 -0.02 6.66 0.11 -1.78 -1.03 132.00 136.00 3gnj h PRO 39 Ca 0.11 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.96 3gnj h PRO 39 Cb 0.15 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.28 3gnj h PRO 39 CO -0.20 0.04 -1.01 0.28 -0.21 0.00 0.00 178.00 176.89 3gnj h VAL 40 N 0.00 1.28 -0.33 3.15 2.07 -1.55 -1.39 116.25 119.48 3gnj h VAL 40 Ca -0.00 -2.21 -0.11 0.00 0.82 0.00 0.00 66.70 65.20 3gnj h VAL 40 Cb 0.27 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3gnj h VAL 40 CO 0.00 0.69 -0.22 -0.07 0.02 0.00 0.00 177.57 178.00 3gnj h LEU 41 N 0.41 0.76 -0.93 2.57 3.38 -0.97 -1.79 115.31 118.74 3gnj h LEU 41 Ca -0.12 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 3gnj h LEU 41 Cb 1.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 3gnj h LEU 41 CO 0.20 1.03 0.27 -0.33 0.09 0.00 0.00 178.44 179.70 3gnj h GLU 42 N 0.50 1.05 -0.34 1.13 5.08 -1.25 -1.50 114.58 119.23 3gnj h GLU 42 Ca 0.07 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3gnj h GLU 42 Cb 0.77 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3gnj h GLU 42 CO 0.06 0.86 0.14 1.49 -1.00 0.00 0.00 179.01 180.56 3gnj h GLU 43 N 1.02 0.51 -0.02 2.33 4.81 -1.12 -3.01 114.58 119.10 3gnj h GLU 43 Ca 0.24 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3gnj h GLU 43 Cb 0.21 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3gnj h GLU 43 CO -0.02 0.49 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.24 3gnj h LEU 44 N 0.41 0.05 -1.20 1.64 3.38 -1.16 -2.72 115.31 115.70 3gnj h LEU 44 Ca 0.12 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3gnj h LEU 44 Cb 0.17 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3gnj h LEU 44 CO -0.01 0.49 0.54 -0.09 0.09 0.00 0.00 178.44 179.46 3gnj h ARG 45 N 0.04 1.05 -1.00 1.13 2.43 -1.15 -1.86 114.38 115.03 3gnj h ARG 45 Ca 0.00 -0.06 0.22 0.00 -0.81 0.00 0.00 59.98 59.33 3gnj h ARG 45 Cb 0.80 -0.24 -0.11 0.00 -0.42 0.00 0.00 29.97 30.00 3gnj h ARG 45 CO 0.06 0.70 0.62 -0.07 -1.51 0.00 0.00 179.97 179.76 3gnj h LEU 46 N 1.08 0.67 0.19 3.80 4.07 -1.40 0.12 115.31 123.84 3gnj h LEU 46 Ca 0.31 0.10 -0.25 0.00 0.08 0.00 0.00 57.88 58.12 3gnj h LEU 46 Cb -0.09 -0.01 0.03 0.00 1.08 0.00 0.00 40.66 41.67 3gnj h LEU 46 CO -0.07 0.19 -1.09 0.78 -1.08 0.00 0.00 178.44 177.17 3gnj h ASN 47 N 0.63 0.63 -0.53 -0.43 2.35 -1.50 -3.37 115.58 113.36 3gnj h ASN 47 Ca 0.59 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3gnj h ASN 47 Cb 1.11 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3gnj h ASN 47 CO -0.38 1.53 0.00 -1.22 -1.65 0.00 0.00 177.43 175.71 3gnj n TYR 48 N -3.96 0.70 -0.17 1.19 4.01 -0.91 -4.73 117.16 113.29 3gnj n TYR 48 Ca -0.15 -0.37 -0.04 0.00 -0.16 0.00 0.00 57.90 57.18 3gnj n TYR 48 Cb 0.94 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.93 3gnj n TYR 48 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3gnj n GLU 49 N 1.52 -0.18 0.00 -0.72 4.07 0.38 -0.66 120.64 125.05 3gnj n GLU 49 Ca 0.21 0.74 0.14 0.00 -0.06 0.00 0.00 57.16 58.19 3gnj n GLU 49 Cb 0.60 -1.09 0.59 0.00 -0.06 0.00 0.00 31.44 31.48 3gnj n GLU 49 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3gnj n GLU 50 N -4.13 0.36 -0.00 5.31 4.71 -1.26 -3.92 120.64 121.71 3gnj n GLU 50 Ca 0.01 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 3gnj n GLU 50 Cb 0.10 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.03 3gnj n GLU 50 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3gnj n SER 51 N -1.23 1.69 -3.69 1.62 3.41 0.17 -5.03 113.62 110.55 3gnj n SER 51 Ca 0.11 -0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.29 3gnj n SER 51 Cb 0.29 1.00 -0.11 0.00 -0.26 0.00 0.00 64.21 65.14 3gnj n SER 51 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gnj s PHE 52 N -1.37 -0.64 0.31 7.33 5.36 -0.10 -4.79 117.98 124.09 3gnj s PHE 52 Ca 0.00 1.34 -0.27 0.00 -0.96 0.00 0.00 56.93 57.04 3gnj s PHE 52 Cb 0.00 0.28 -0.09 0.00 -0.34 0.00 0.00 43.02 42.87 3gnj s PHE 52 CO 0.01 -0.37 1.01 0.20 -1.46 0.00 0.00 175.22 174.61 3gnj s GLY 53 N 1.58 2.91 -0.33 13.12 0.00 0.04 -4.46 107.32 120.20 3gnj s GLY 53 Ca -0.08 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.33 3gnj s GLY 53 CO -0.13 1.18 0.07 -1.36 0.00 0.00 0.00 173.10 172.86 3gnj s PHE 54 N -1.43 2.86 0.34 1.90 0.08 -1.26 -0.30 117.98 120.17 3gnj s PHE 54 Ca 0.49 -2.45 0.09 0.00 0.12 0.00 0.00 56.93 55.18 3gnj s PHE 54 Cb -0.24 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 3gnj s PHE 54 CO 0.30 -0.92 -0.01 0.71 -0.10 0.00 0.00 175.22 175.21 3gnj s TYR 55 N 1.22 2.52 -0.05 0.36 2.02 0.26 -3.91 117.35 119.77 3gnj s TYR 55 Ca 0.10 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3gnj s TYR 55 Cb -0.18 -1.45 0.02 0.00 -0.40 0.00 0.00 41.96 39.95 3gnj s TYR 55 CO -0.15 0.50 -0.05 -0.47 -1.57 0.00 0.00 175.55 173.81 3gnj s TYR 56 N -2.52 0.83 -0.20 2.71 5.04 -0.38 -4.24 117.35 118.59 3gnj s TYR 56 Ca 0.34 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.71 3gnj s TYR 56 Cb -0.00 -0.73 0.01 0.00 0.35 0.00 0.00 41.96 41.59 3gnj s TYR 56 CO 0.19 -0.22 -0.14 0.08 -1.34 0.00 0.00 175.55 174.12 3gnj s VAL 57 N 0.98 2.52 -0.38 3.14 1.01 -1.26 -0.39 120.40 126.02 3gnj s VAL 57 Ca -0.10 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 3gnj s VAL 57 Cb -0.14 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3gnj s VAL 57 CO -0.00 0.48 1.33 -0.62 0.00 0.00 0.00 175.10 176.29 3gnj s ASP 58 N 1.35 6.51 0.25 3.32 -1.08 -1.26 -1.30 116.67 124.46 3gnj s ASP 58 Ca 0.05 0.90 0.24 0.00 -0.52 0.00 0.00 52.55 53.22 3gnj s ASP 58 Cb -0.14 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.73 3gnj s ASP 58 CO -0.09 -1.28 1.72 1.33 0.52 0.00 0.00 175.17 177.37 3gnj n VAL 59 N 6.73 0.78 0.17 1.11 0.24 0.30 -0.95 118.33 126.71 3gnj n VAL 59 Ca 0.15 0.13 0.08 0.00 -2.04 0.00 0.00 64.34 62.66 3gnj n VAL 59 Cb 0.48 -1.04 0.09 0.00 -1.47 0.00 0.00 33.84 31.89 3gnj n VAL 59 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3gnj h GLU 60 N 0.00 0.00 0.01 7.34 5.08 -1.91 -3.23 114.58 121.87 3gnj h GLU 60 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 3gnj h GLU 60 Cb 0.44 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3gnj h GLU 60 CO 0.00 0.17 -2.22 0.39 -1.00 0.00 0.00 179.01 176.35 3gnj n GLU 61 N -3.08 0.68 -2.65 2.33 1.02 -0.93 -4.61 120.64 113.40 3gnj n GLU 61 Ca 0.02 0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 56.95 3gnj n GLU 61 Cb 0.61 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 3gnj n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gnj n GLU 62 N -2.97 3.88 -0.30 3.49 -0.58 -0.12 -4.83 120.64 119.21 3gnj n GLU 62 Ca -0.31 -4.58 0.00 0.00 -0.42 0.00 0.00 57.16 51.84 3gnj n GLU 62 Cb 1.10 -2.31 0.19 0.00 -0.57 0.00 0.00 31.44 29.84 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 3.28 1.13 -0.48 3.49 1.57 -1.81 -2.14 116.57 121.61 3gnj h LYS 63 Ca 0.34 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 3gnj h LYS 63 Cb 0.46 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3gnj h LYS 63 CO 1.01 0.75 -0.11 1.79 -0.57 0.00 0.00 179.45 182.32 3gnj h THR 64 N 1.16 1.27 -0.67 -0.16 1.35 -1.90 -1.04 112.91 112.92 3gnj h THR 64 Ca 0.33 -1.23 -0.08 0.00 -0.55 0.00 0.00 66.41 64.88 3gnj h THR 64 Cb -0.08 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 3gnj h THR 64 CO -0.08 0.43 0.12 0.25 -0.25 0.00 0.00 175.52 175.98 3gnj h LEU 65 N 0.77 1.05 -0.65 3.87 5.85 -1.87 -0.51 115.31 123.81 3gnj h LEU 65 Ca 0.12 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3gnj h LEU 65 Cb 0.66 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3gnj h LEU 65 CO 0.05 1.04 0.37 0.15 -0.34 0.00 0.00 178.44 179.70 3gnj h PHE 66 N 1.02 0.68 -0.47 1.25 3.57 -1.12 -2.83 116.94 119.04 3gnj h PHE 66 Ca 0.20 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 3gnj h PHE 66 Cb 0.43 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3gnj h PHE 66 CO 0.03 0.34 -0.22 0.37 -2.23 0.00 0.00 178.31 176.61 3gnj h GLN 67 N 0.69 0.96 -0.15 1.11 -0.00 -0.72 -2.94 115.11 114.07 3gnj h GLN 67 Ca 0.28 -0.41 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 3gnj h GLN 67 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.58 3gnj h GLN 67 CO -0.16 1.08 -0.01 0.00 0.00 0.00 0.00 178.83 179.74 3gnj h ARG 68 N 0.83 0.21 -0.01 1.69 3.08 -0.89 0.13 114.38 119.42 3gnj h ARG 68 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gnj h ARG 68 Cb 0.79 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3gnj h ARG 68 CO 0.07 0.24 -0.03 1.19 -1.07 0.00 0.00 179.97 180.36 3gnj n PHE 69 N -4.41 0.00 -2.37 3.04 3.72 -1.09 -4.95 117.46 111.41 3gnj n PHE 69 Ca -0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 3gnj n PHE 69 Cb 0.16 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 3gnj n PHE 69 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3gnj n SER 70 N -0.06 -5.12 -4.77 4.37 2.88 0.44 -4.96 113.62 106.40 3gnj n SER 70 Ca 0.18 -0.03 -0.38 0.00 -1.33 0.00 0.00 58.87 57.31 3gnj n SER 70 Cb 0.33 -4.19 -0.05 0.00 -0.75 0.00 0.00 64.21 59.54 3gnj n SER 70 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3gnj s LEU 71 N -5.05 4.41 -0.27 2.46 1.43 -1.15 -5.00 118.68 115.50 3gnj s LEU 71 Ca 0.02 1.98 0.11 0.00 -1.03 0.00 0.00 54.13 55.21 3gnj s LEU 71 Cb -0.01 -3.89 0.47 0.00 0.03 0.00 0.00 46.19 42.79 3gnj s LEU 71 CO 0.02 -0.12 1.17 2.29 0.23 0.00 0.00 176.35 179.95 3gnj n LYS 72 N 0.75 3.02 0.00 1.70 2.85 -1.26 -4.92 118.16 120.30 3gnj n LYS 72 Ca 0.01 -3.94 0.00 0.00 -1.05 0.00 0.00 58.31 53.33 3gnj n LYS 72 Cb 0.48 -2.05 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 3gnj n LYS 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gnj n GLY 73 N -0.69 2.93 3.14 2.58 0.00 -1.26 -5.18 105.19 106.71 3gnj n GLY 73 Ca 0.34 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 0.34 0.50 1.61 -7.23 -1.26 -4.54 120.40 107.82 3gnj s VAL 74 Ca 0.00 -1.88 -0.20 0.00 -1.81 0.00 0.00 61.98 58.09 3gnj s VAL 74 Cb 0.00 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 35.11 3gnj s VAL 74 CO 0.00 -0.79 1.04 -2.16 -0.31 0.00 0.00 175.10 172.88 3gnj s PRO 75 N -3.93 3.76 -0.00 4.82 0.04 -1.26 -4.83 135.00 133.59 3gnj s PRO 75 Ca 0.14 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.51 3gnj s PRO 75 Cb 0.07 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3gnj s PRO 75 CO -0.04 -0.46 -0.05 -0.65 0.04 0.00 0.00 177.00 175.84 3gnj s GLN 76 N -3.37 0.37 -0.24 4.56 -0.21 -0.72 -1.34 119.66 118.71 3gnj s GLN 76 Ca 0.66 -0.17 -0.05 0.00 0.02 0.00 0.00 55.36 55.82 3gnj s GLN 76 Cb -0.16 -0.36 -0.01 0.00 1.00 0.00 0.00 33.01 33.49 3gnj s GLN 76 CO 0.22 0.10 0.01 0.42 -2.12 0.00 0.00 175.29 173.92 3gnj s ILE 77 N -0.13 3.70 -0.07 1.08 1.01 -1.26 -0.55 121.20 124.97 3gnj s ILE 77 Ca 0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 3gnj s ILE 77 Cb -0.02 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3gnj s ILE 77 CO -0.00 0.33 0.02 -0.76 0.00 0.00 0.00 174.94 174.53 3gnj s LEU 78 N 1.51 3.67 -0.02 2.97 1.43 -0.28 -4.24 118.68 123.72 3gnj s LEU 78 Ca 0.05 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3gnj s LEU 78 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3gnj s LEU 78 CO -0.01 0.36 -0.11 -0.31 0.23 0.00 0.00 176.35 176.52 3gnj s TYR 79 N -0.94 2.78 0.04 0.29 2.02 0.04 -0.23 117.35 121.34 3gnj s TYR 79 Ca 0.15 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 3gnj s TYR 79 Cb -0.11 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3gnj s TYR 79 CO 0.04 0.29 -0.07 -0.06 -1.57 0.00 0.00 175.55 174.18 3gnj s PHE 80 N -0.88 0.59 -0.24 2.71 0.08 -0.83 0.13 117.98 119.54 3gnj s PHE 80 Ca 0.14 -0.47 -0.21 0.00 0.12 0.00 0.00 56.93 56.51 3gnj s PHE 80 Cb -0.11 -0.36 0.06 0.00 -0.57 0.00 0.00 43.02 42.05 3gnj s PHE 80 CO 0.04 -0.09 0.63 0.21 -0.10 0.00 0.00 175.22 175.90 3gnj s LYS 81 N -1.46 0.72 -1.42 0.44 2.20 -0.84 -1.71 119.74 117.67 3gnj s LYS 81 Ca -0.10 0.90 -0.06 0.00 -0.36 0.00 0.00 55.97 56.35 3gnj s LYS 81 Cb -0.09 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.59 3gnj s LYS 81 CO 0.00 -0.09 0.48 -0.25 -0.36 0.00 0.00 175.35 175.13 3gnj n ASP 82 N 2.90 -4.97 0.00 1.43 8.00 0.26 -1.93 116.55 122.24 3gnj n ASP 82 Ca -0.14 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.08 3gnj n ASP 82 Cb 0.56 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 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 -1.30 1.51 3.87 0.44 0.00 -1.19 -4.93 105.19 103.59 3gnj n GLY 83 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.03 3.72 -0.35 1.61 2.02 -0.81 -4.88 118.70 119.98 3gnj s GLU 84 Ca 0.00 0.13 -0.24 0.00 0.02 0.00 0.00 54.97 54.88 3gnj s GLU 84 Cb 0.00 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.18 3gnj s GLU 84 CO 0.00 0.61 0.84 -0.47 0.02 0.00 0.00 175.26 176.26 3gnj s TYR 85 N -1.31 3.12 -0.05 1.61 6.04 -1.26 -1.99 117.35 123.51 3gnj s TYR 85 Ca 0.29 0.71 0.11 0.00 0.04 0.00 0.00 57.07 58.22 3gnj s TYR 85 Cb -0.14 -3.44 -0.17 0.00 -1.04 0.00 0.00 41.96 37.17 3gnj s TYR 85 CO 0.16 -0.72 0.26 1.63 -1.54 0.00 0.00 175.55 175.34 3gnj n LYS 86 N 6.49 0.58 0.00 4.97 4.76 0.12 -4.99 118.16 130.09 3gnj n LYS 86 Ca 0.05 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3gnj n LYS 86 Cb 0.48 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 3gnj n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gnj n GLY 87 N 1.83 0.67 3.55 0.72 0.00 -1.18 -4.96 105.19 105.82 3gnj n GLY 87 Ca -0.02 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 3gnj n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gnj s LYS 88 N -2.00 2.01 -0.06 1.61 2.20 -1.26 -0.78 119.74 121.46 3gnj s LYS 88 Ca 0.00 -1.73 -0.29 0.00 -0.36 0.00 0.00 55.97 53.59 3gnj s LYS 88 Cb 0.00 0.48 0.10 0.00 -1.51 0.00 0.00 37.83 36.90 3gnj s LYS 88 CO 0.00 -0.86 0.86 0.00 -0.36 0.00 0.00 175.35 174.99 3gnj s ALA 90 N -2.82 -1.84 0.00 3.13 0.00 -1.26 -4.98 121.76 113.98 3gnj s ALA 90 Ca 0.28 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.50 3gnj s ALA 90 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3gnj s ALA 90 CO 0.19 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3gnj n GLY 91 N 0.37 -0.97 3.57 0.00 0.00 -0.45 -4.66 105.19 103.04 3gnj n GLY 91 Ca -0.12 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 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 5.81 0.17 1.61 -1.08 -1.26 -4.84 116.67 113.08 3gnj s ASP 92 Ca 0.00 0.42 0.02 0.00 -0.52 0.00 0.00 52.55 52.47 3gnj s ASP 92 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 3gnj s ASP 92 CO 0.00 -1.93 0.31 0.68 0.52 0.00 0.00 175.17 174.75 3gnj s VAL 93 N 7.15 5.29 0.04 1.11 -7.23 -1.26 -5.11 120.40 120.39 3gnj s VAL 93 Ca 0.60 -0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 60.16 3gnj s VAL 93 Cb -0.13 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 3gnj s VAL 93 CO 0.24 -0.12 0.17 -0.70 -0.31 0.00 0.00 175.10 174.38 3gnj s GLU 94 N -3.28 3.32 0.25 4.82 2.56 -1.26 -4.91 118.70 120.20 3gnj s GLU 94 Ca 0.36 -0.45 -0.03 0.00 0.00 0.00 0.00 54.97 54.85 3gnj s GLU 94 Cb -0.11 -2.99 0.51 0.00 2.00 0.00 0.00 34.13 33.54 3gnj s GLU 94 CO 0.29 0.62 1.72 0.38 -0.56 0.00 0.00 175.26 177.71 3gnj h ASP 95 N 3.41 0.27 -0.00 -1.70 2.03 -1.99 -1.78 116.42 116.66 3gnj h ASP 95 Ca -0.47 0.12 -0.17 0.00 -0.73 0.00 0.00 57.03 55.78 3gnj h ASP 95 Cb 1.17 0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.77 3gnj h ASP 95 CO 0.71 0.08 -0.58 -2.24 -1.03 0.00 0.00 179.24 176.18 3gnj h ASP 96 N 0.43 0.67 -0.42 4.15 -0.00 -1.97 0.31 116.42 119.59 3gnj h ASP 96 Ca 0.44 -0.37 0.09 0.00 -0.00 0.00 0.00 57.03 57.19 3gnj h ASP 96 Cb 0.71 -0.19 -0.09 0.00 -0.00 0.00 0.00 39.33 39.75 3gnj h ASP 96 CO -0.44 1.10 -0.26 -0.08 -0.00 0.00 0.00 179.24 179.57 3gnj h GLU 97 N 0.45 -0.18 -0.16 4.15 4.81 -1.84 0.87 114.58 122.68 3gnj h GLU 97 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3gnj h GLU 97 Cb 1.14 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3gnj h GLU 97 CO 0.11 -0.12 0.08 0.28 -0.73 0.00 0.00 179.01 178.63 3gnj h VAL 98 N -0.18 1.13 -0.31 0.32 2.07 -0.94 -3.15 116.25 115.18 3gnj h VAL 98 Ca 0.19 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3gnj h VAL 98 Cb 0.49 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3gnj h VAL 98 CO -0.52 0.12 0.08 -0.33 0.02 0.00 0.00 177.57 176.94 3gnj h GLU 99 N 0.14 0.45 -1.22 1.57 5.08 -0.15 -1.37 114.58 119.08 3gnj h GLU 99 Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gnj h GLU 99 Cb 0.12 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gnj h GLU 99 CO -0.01 0.41 0.00 0.94 -1.00 0.00 0.00 179.01 179.35 3gnj n GLN 100 N -4.37 0.40 0.00 2.33 -0.06 0.28 -1.90 117.38 114.06 3gnj n GLN 100 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 3gnj n GLN 100 Cb 0.17 -1.27 0.00 0.00 -4.06 0.00 0.00 30.24 25.08 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 -0.29 1.69 5.41 -0.52 -1.46 119.36 124.83 3gnj n ILE 102 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3gnj n ILE 102 Cb 0.17 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.18 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 1.03 -0.07 -1.39 0.00 -1.65 0.63 119.26 117.80 3gnj h ALA 103 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3gnj h ALA 103 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3gnj h ALA 103 CO 0.00 0.40 -0.54 -0.44 0.00 0.00 0.00 179.25 178.67 3gnj h ASP 104 N 1.06 0.23 -0.06 0.00 3.32 -1.54 -1.91 116.42 117.53 3gnj h ASP 104 Ca 0.30 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3gnj h ASP 104 Cb -0.09 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3gnj h ASP 104 CO -0.08 0.72 -0.21 0.58 -1.72 0.00 0.00 179.24 178.54 3gnj h VAL 105 N 0.16 1.44 -0.23 -1.35 2.07 -1.75 -2.70 116.25 113.90 3gnj h VAL 105 Ca 0.00 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 3gnj h VAL 105 Cb 1.00 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 3gnj h VAL 105 CO 0.08 0.45 -0.04 -0.07 0.02 0.00 0.00 177.57 178.01 3gnj h LEU 106 N -0.29 0.32 0.00 2.57 3.38 0.56 -2.04 115.31 119.81 3gnj h LEU 106 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gnj h LEU 106 Cb 0.84 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3gnj h LEU 106 CO 0.04 0.41 -1.01 -0.62 0.09 0.00 0.00 178.44 177.35 3gnj n GLU 107 N -4.31 0.41 -0.68 1.13 -0.58 -0.75 -5.08 120.64 110.79 3gnj n GLU 107 Ca 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3gnj n GLU 107 Cb 0.23 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 3gnj n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18