#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gj3 s LEU 23 N 0.00 3.33 0.36 2.23 2.01 -1.26 -4.93 118.68 120.42 2gj3 s LEU 23 Ca 0.00 1.52 0.10 0.00 0.01 0.00 0.00 54.13 55.76 2gj3 s LEU 23 Cb 0.00 -4.49 0.86 0.00 0.01 0.00 0.00 46.19 42.57 2gj3 s LEU 23 CO 0.00 -0.93 1.86 -0.65 1.01 0.00 0.00 176.35 177.64 2gj3 h PRO 24 N -0.04 0.63 -0.95 1.29 0.11 -2.06 -0.36 132.00 130.61 2gj3 h PRO 24 Ca -0.45 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 65.85 2gj3 h PRO 24 Cb 1.19 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 2gj3 h PRO 24 CO 0.61 0.42 0.63 1.49 -0.21 0.00 0.00 178.00 180.93 2gj3 h GLU 25 N 0.65 0.39 -0.48 1.05 4.57 -1.99 -0.61 114.58 118.16 2gj3 h GLU 25 Ca 0.46 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.50 2gj3 h GLU 25 Cb 0.80 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2gj3 h GLU 25 CO -0.21 0.26 -0.16 0.82 -1.18 0.00 0.00 179.01 178.54 2gj3 h ILE 26 N 0.40 1.27 -0.07 2.32 1.08 -1.41 -0.06 117.51 121.04 2gj3 h ILE 26 Ca 0.51 -1.31 -0.11 0.00 -0.39 0.00 0.00 64.86 63.56 2gj3 h ILE 26 Cb 1.29 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 2gj3 h ILE 26 CO -0.21 0.45 -0.44 -0.26 -0.69 0.00 0.00 178.15 177.01 2gj3 h PHE 27 N 0.80 0.20 -0.57 1.37 0.04 -1.21 -1.14 116.94 116.43 2gj3 h PHE 27 Ca 0.12 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 2gj3 h PHE 27 Cb 0.73 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 2gj3 h PHE 27 CO 0.05 0.59 0.21 -0.09 -0.60 0.00 0.00 178.31 178.47 2gj3 h ARG 28 N 0.14 0.85 -0.73 1.51 2.43 -0.81 -0.89 114.38 116.88 2gj3 h ARG 28 Ca 0.01 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2gj3 h ARG 28 Cb 0.84 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2gj3 h ARG 28 CO 0.07 0.75 0.44 1.96 -1.51 0.00 0.00 179.97 181.67 2gj3 h GLN 29 N 0.78 0.99 0.04 0.20 1.08 -0.81 0.25 115.11 117.65 2gj3 h GLN 29 Ca 0.19 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2gj3 h GLN 29 Cb 0.22 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2gj3 h GLN 29 CO -0.01 0.70 -0.02 1.15 -0.95 0.00 0.00 178.83 179.69 2gj3 h THR 30 N 1.01 1.07 -0.43 -0.54 2.02 -0.81 -1.41 112.91 113.82 2gj3 h THR 30 Ca 0.26 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2gj3 h THR 30 Cb -0.04 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2gj3 h THR 30 CO -0.05 0.09 0.24 0.58 0.37 0.00 0.00 175.52 176.75 2gj3 h VAL 31 N -0.20 1.02 -0.93 3.16 2.07 -0.85 -0.85 116.25 119.68 2gj3 h VAL 31 Ca -0.01 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.43 2gj3 h VAL 31 Cb 0.18 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 2gj3 h VAL 31 CO 0.01 0.09 0.58 -0.08 0.02 0.00 0.00 177.57 178.18 2gj3 h GLU 32 N 0.49 0.96 -0.24 1.57 4.57 -0.69 -2.49 114.58 118.75 2gj3 h GLU 32 Ca 0.18 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2gj3 h GLU 32 Cb 0.03 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 2gj3 h GLU 32 CO -0.09 0.63 0.00 0.72 -1.18 0.00 0.00 179.01 179.09 2gj3 n HIS 33 N -4.62 0.29 -2.13 0.92 8.25 -0.55 -2.12 115.22 115.27 2gj3 n HIS 33 Ca 0.15 -0.15 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2gj3 n HIS 33 Cb 0.26 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 2gj3 n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gj3 s ALA 34 N -1.71 3.42 -0.24 -1.41 0.00 -0.35 -4.90 121.76 116.58 2gj3 s ALA 34 Ca 0.35 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.50 2gj3 s ALA 34 Cb 0.21 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2gj3 s ALA 34 CO 0.30 -0.65 2.84 -0.35 0.00 0.00 0.00 175.76 177.89 2gj3 n PRO 35 N 0.63 2.03 -3.83 0.00 -0.04 -1.26 -4.52 135.00 128.01 2gj3 n PRO 35 Ca 0.01 -1.55 -0.12 0.00 -0.04 0.00 0.00 63.50 61.80 2gj3 n PRO 35 Cb 0.43 -1.89 -0.10 0.00 -0.04 0.00 0.00 33.50 31.89 2gj3 n PRO 35 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2gj3 s ILE 36 N -1.00 0.05 0.10 0.52 2.07 -1.26 -5.06 121.20 116.62 2gj3 s ILE 36 Ca 0.51 -0.41 -0.31 0.00 -1.41 0.00 0.00 60.65 59.03 2gj3 s ILE 36 Cb 0.30 -0.41 -0.08 0.00 0.13 0.00 0.00 42.46 42.40 2gj3 s ILE 36 CO -0.09 -0.22 1.38 0.00 -1.91 0.00 0.00 174.94 174.10 2gj3 s ALA 37 N -0.84 3.58 -0.06 1.50 0.00 -0.07 -4.58 121.76 121.29 2gj3 s ALA 37 Ca -0.09 1.09 0.01 0.00 0.00 0.00 0.00 51.96 52.97 2gj3 s ALA 37 Cb -0.05 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2gj3 s ALA 37 CO 0.02 -0.64 -0.07 0.42 0.00 0.00 0.00 175.76 175.49 2gj3 s ILE 38 N 1.23 0.78 0.06 0.00 1.01 -1.26 -0.77 121.20 122.24 2gj3 s ILE 38 Ca 0.64 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 61.10 2gj3 s ILE 38 Cb -0.36 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2gj3 s ILE 38 CO 0.30 0.29 -0.14 -0.94 0.00 0.00 0.00 174.94 174.44 2gj3 s SER 39 N 0.98 1.64 -0.05 3.58 1.04 -0.14 -1.30 113.70 119.45 2gj3 s SER 39 Ca -0.10 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 55.83 2gj3 s SER 39 Cb -0.14 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 65.90 2gj3 s SER 39 CO 0.00 -0.04 -0.19 -0.63 0.98 0.00 0.00 173.24 173.36 2gj3 s ILE 40 N -1.11 1.60 0.27 -1.02 1.01 -0.27 -0.47 121.20 121.20 2gj3 s ILE 40 Ca -0.01 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.90 2gj3 s ILE 40 Cb -0.09 -1.38 -0.06 0.00 0.01 0.00 0.00 42.46 40.94 2gj3 s ILE 40 CO 0.02 0.46 -0.03 0.42 0.00 0.00 0.00 174.94 175.80 2gj3 s THR 41 N 0.09 1.42 0.67 2.92 -4.23 0.15 -0.11 115.64 116.55 2gj3 s THR 41 Ca -0.07 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.25 2gj3 s THR 41 Cb -0.13 -2.44 0.16 0.00 1.34 0.00 0.00 72.50 71.43 2gj3 s THR 41 CO 0.03 -0.29 0.76 -0.90 -0.54 0.00 0.00 174.62 173.68 2gj3 n ASP 42 N -0.54 -0.69 0.00 3.99 5.68 -0.33 -1.51 116.55 123.14 2gj3 n ASP 42 Ca -0.05 -1.13 0.13 0.00 -0.50 0.00 0.00 54.79 53.24 2gj3 n ASP 42 Cb 0.64 -0.62 0.78 0.00 -1.14 0.00 0.00 41.12 40.78 2gj3 n ASP 42 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gj3 n LEU 43 N 0.00 0.00 -0.49 -2.12 4.32 -1.26 -1.92 117.00 115.54 2gj3 n LEU 43 Ca 0.10 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.14 2gj3 n LEU 43 Cb 0.36 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.29 2gj3 n LEU 43 CO 0.25 0.00 0.61 0.29 -1.22 0.00 0.00 177.39 177.32 2gj3 n LYS 44 N -0.99 2.78 -1.56 3.23 5.02 -1.26 -4.99 118.16 120.39 2gj3 n LYS 44 Ca 0.20 -2.12 -0.05 0.00 -2.02 0.00 0.00 58.31 54.32 2gj3 n LYS 44 Cb 0.09 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 2gj3 n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gj3 n ALA 45 N -0.10 -0.11 -2.40 7.82 0.00 -0.81 -4.89 120.51 120.02 2gj3 n ALA 45 Ca 0.11 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2gj3 n ALA 45 Cb 0.49 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 2gj3 n ALA 45 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2gj3 s ASN 46 N -2.87 7.12 -0.06 0.00 0.01 -1.26 -1.16 114.94 116.72 2gj3 s ASN 46 Ca 0.00 2.00 -0.30 0.00 -0.71 0.00 0.00 52.86 53.85 2gj3 s ASN 46 Cb 0.00 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 2gj3 s ASN 46 CO 0.00 -0.43 1.08 -0.63 -1.51 0.00 0.00 177.10 175.62 2gj3 s ILE 47 N 0.90 4.56 -0.07 0.60 1.01 -0.07 -1.19 121.20 126.95 2gj3 s ILE 47 Ca 0.57 1.84 0.18 0.00 0.00 0.00 0.00 60.65 63.25 2gj3 s ILE 47 Cb -0.29 -4.18 -0.28 0.00 0.01 0.00 0.00 42.46 37.72 2gj3 s ILE 47 CO 0.30 0.03 0.42 0.18 0.00 0.00 0.00 174.94 175.87 2gj3 n LEU 48 N 4.85 0.04 -3.66 2.97 4.77 0.85 -4.57 117.00 122.24 2gj3 n LEU 48 Ca 0.09 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 2gj3 n LEU 48 Cb 0.48 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 2gj3 n LEU 48 CO 0.53 0.01 0.30 -0.47 -1.33 0.00 0.00 177.39 176.43 2gj3 s TYR 49 N -3.23 -0.66 -0.08 -1.77 5.04 -0.93 -4.98 117.35 110.73 2gj3 s TYR 49 Ca -0.06 1.59 -0.05 0.00 -2.44 0.00 0.00 57.07 56.11 2gj3 s TYR 49 Cb 0.12 0.23 0.03 0.00 0.35 0.00 0.00 41.96 42.69 2gj3 s TYR 49 CO 0.75 -0.33 0.19 0.00 -1.34 0.00 0.00 175.55 174.83 2gj3 s ALA 50 N 0.26 -0.44 0.84 3.97 0.00 -1.26 -1.12 121.76 124.01 2gj3 s ALA 50 Ca -0.00 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 2gj3 s ALA 50 Cb -0.04 -0.41 0.15 0.00 0.00 0.00 0.00 23.12 22.82 2gj3 s ALA 50 CO 0.01 -0.13 1.17 0.54 0.00 0.00 0.00 175.76 177.36 2gj3 s ASN 51 N 0.57 3.81 0.22 0.00 4.22 -0.42 -4.83 114.94 118.50 2gj3 s ASN 51 Ca -0.04 0.13 -0.09 0.00 -2.14 0.00 0.00 52.86 50.72 2gj3 s ASN 51 Cb -0.05 -0.38 0.18 0.00 1.28 0.00 0.00 41.25 42.27 2gj3 s ASN 51 CO -0.03 -2.26 1.88 0.03 -2.04 0.00 0.00 177.10 174.68 2gj3 h ARG 52 N -1.12 1.09 -0.66 3.55 3.08 -1.71 -1.81 114.38 116.79 2gj3 h ARG 52 Ca -0.42 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2gj3 h ARG 52 Cb 1.26 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 2gj3 h ARG 52 CO 0.43 0.74 0.41 0.00 -1.07 0.00 0.00 179.97 180.48 2gj3 h ALA 53 N 1.29 0.85 -0.43 0.04 0.00 -1.79 0.81 119.26 120.02 2gj3 h ALA 53 Ca 0.30 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2gj3 h ALA 53 Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 2gj3 h ALA 53 CO -0.06 0.31 0.18 0.35 0.00 0.00 0.00 179.25 180.04 2gj3 h PHE 54 N 0.90 0.33 -0.58 0.00 3.04 -1.67 0.20 116.94 119.16 2gj3 h PHE 54 Ca 0.24 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.14 2gj3 h PHE 54 Cb -0.04 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 2gj3 h PHE 54 CO -0.02 0.15 0.10 0.00 -2.02 0.00 0.00 178.31 176.53 2gj3 h ARG 55 N 0.37 0.96 -0.56 1.11 3.08 -0.81 -0.44 114.38 118.09 2gj3 h ARG 55 Ca 0.19 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2gj3 h ARG 55 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2gj3 h ARG 55 CO -0.17 0.91 0.25 1.15 -1.07 0.00 0.00 179.97 181.04 2gj3 h THR 56 N 0.86 1.21 -0.13 2.04 2.02 -0.56 0.01 112.91 118.35 2gj3 h THR 56 Ca 0.18 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 2gj3 h THR 56 Cb 0.40 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2gj3 h THR 56 CO 0.01 0.25 -0.19 0.40 0.37 0.00 0.00 175.52 176.35 2gj3 h ILE 57 N 0.76 1.36 0.00 3.11 2.04 -0.86 -3.24 117.51 120.69 2gj3 h ILE 57 Ca 0.19 -1.41 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 2gj3 h ILE 57 Cb 0.15 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2gj3 h ILE 57 CO -0.02 0.41 -0.37 0.71 0.00 0.00 0.00 178.15 178.88 2gj3 h THR 58 N -0.03 0.48 0.00 -0.27 1.35 -1.11 -3.46 112.91 109.87 2gj3 h THR 58 Ca 0.01 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2gj3 h THR 58 Cb 0.75 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2gj3 h THR 58 CO 0.04 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 2gj3 n GLY 59 N 1.18 1.00 3.72 5.82 0.00 -0.02 -0.40 105.19 116.49 2gj3 n GLY 59 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2gj3 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gj3 s TYR 60 N -2.57 3.54 0.86 1.61 1.51 -1.18 -4.75 117.35 116.37 2gj3 s TYR 60 Ca 0.00 1.05 -0.12 0.00 -1.01 0.00 0.00 57.07 56.99 2gj3 s TYR 60 Cb 0.00 -2.67 0.11 0.00 -0.11 0.00 0.00 41.96 39.29 2gj3 s TYR 60 CO 0.00 0.12 1.17 0.20 -1.11 0.00 0.00 175.55 175.93 2gj3 s GLY 61 N 0.72 1.59 0.52 0.71 0.00 -1.26 -4.45 107.32 105.15 2gj3 s GLY 61 Ca 0.31 -0.63 0.18 0.00 0.00 0.00 0.00 44.72 44.59 2gj3 s GLY 61 CO 0.14 -0.10 2.09 1.48 0.00 0.00 0.00 173.10 176.72 2gj3 h SER 62 N -1.27 0.03 0.00 1.64 4.64 -1.97 -0.26 113.55 116.37 2gj3 h SER 62 Ca -0.48 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.79 2gj3 h SER 62 Cb 1.33 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2gj3 h SER 62 CO 0.63 0.02 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.84 2gj3 h GLU 63 N 0.04 0.00 0.00 4.77 5.08 -2.01 -3.40 114.58 119.06 2gj3 h GLU 63 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2gj3 h GLU 63 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2gj3 h GLU 63 CO -0.00 0.45 -0.12 1.05 -1.00 0.00 0.00 179.01 179.39 2gj3 h GLU 64 N -1.00 0.00 0.00 2.33 4.11 -1.91 -2.08 114.58 116.03 2gj3 h GLU 64 Ca -0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 2gj3 h GLU 64 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2gj3 h GLU 64 CO -0.05 0.12 -0.12 -0.24 0.07 0.00 0.00 179.01 178.79 2gj3 h VAL 65 N 0.00 0.52 -0.02 -1.06 3.04 -1.24 -1.71 116.25 115.77 2gj3 h VAL 65 Ca -0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2gj3 h VAL 65 Cb 0.24 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 2gj3 h VAL 65 CO 0.02 0.12 0.00 0.18 -1.01 0.00 0.00 177.57 176.87 2gj3 n LEU 66 N -3.57 0.28 -0.70 3.16 4.77 -0.78 -1.91 117.00 118.26 2gj3 n LEU 66 Ca -0.02 -0.11 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 2gj3 n LEU 66 Cb 0.26 -0.01 0.18 0.00 -2.33 0.00 0.00 43.42 41.51 2gj3 n LEU 66 CO 0.30 0.06 0.65 0.61 -1.33 0.00 0.00 177.39 177.67 2gj3 n GLY 67 N 0.88 3.12 3.77 -0.72 0.00 -0.65 -4.87 105.19 106.73 2gj3 n GLY 67 Ca 0.16 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 2gj3 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gj3 s LYS 68 N -1.50 2.73 0.15 1.61 -0.14 -0.80 -5.01 119.74 116.77 2gj3 s LYS 68 Ca 0.28 -1.18 0.05 0.00 -1.36 0.00 0.00 55.97 53.76 2gj3 s LYS 68 Cb 0.18 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2gj3 s LYS 68 CO 0.14 0.37 0.11 1.21 -0.76 0.00 0.00 175.35 176.41 2gj3 s ASN 69 N -3.80 5.46 0.60 2.83 3.84 -1.26 -0.89 114.94 121.71 2gj3 s ASN 69 Ca 0.33 -0.13 0.31 0.00 0.21 0.00 0.00 52.86 53.58 2gj3 s ASN 69 Cb -0.07 -1.41 1.78 0.00 -0.55 0.00 0.00 41.25 41.00 2gj3 s ASN 69 CO 0.24 0.09 2.16 -0.33 -2.79 0.00 0.00 177.10 176.46 2gj3 h GLU 70 N 2.63 0.00 0.00 0.43 4.39 -1.48 -0.39 114.58 120.16 2gj3 h GLU 70 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2gj3 h GLU 70 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2gj3 h GLU 70 CO 0.63 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 179.15 2gj3 h SER 71 N 0.00 0.00 -0.20 1.42 4.64 -1.94 -1.07 113.55 116.39 2gj3 h SER 71 Ca 0.05 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2gj3 h SER 71 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2gj3 h SER 71 CO -0.00 0.00 0.20 -0.29 -0.87 0.00 0.00 176.83 175.87 2gj3 h ILE 72 N 0.00 0.54 0.00 0.95 6.09 -1.47 -1.47 117.51 122.15 2gj3 h ILE 72 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2gj3 h ILE 72 Cb 0.01 0.84 0.00 0.00 0.47 0.00 0.00 36.82 38.14 2gj3 h ILE 72 CO 0.00 0.00 -0.14 0.18 -3.07 0.00 0.00 178.15 175.12 2gj3 n LEU 73 N -3.92 0.70 -4.74 2.19 4.77 -0.40 -4.79 117.00 110.81 2gj3 n LEU 73 Ca 0.02 0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 56.19 2gj3 n LEU 73 Cb 0.33 -0.31 0.14 0.00 -2.33 0.00 0.00 43.42 41.25 2gj3 n LEU 73 CO 0.29 -0.13 0.68 -0.94 -1.33 0.00 0.00 177.39 175.96 2gj3 s SER 74 N -4.26 3.49 -0.25 -1.43 1.04 -0.56 -0.61 113.70 111.12 2gj3 s SER 74 Ca 0.10 1.26 -0.35 0.00 0.48 0.00 0.00 55.95 57.44 2gj3 s SER 74 Cb 0.13 -1.93 0.16 0.00 0.10 0.00 0.00 66.02 64.48 2gj3 s SER 74 CO 0.62 -2.60 1.31 0.21 0.98 0.00 0.00 173.24 173.75 2gj3 s ASN 75 N -3.66 -0.07 0.00 7.02 3.84 -1.26 -4.64 114.94 116.17 2gj3 s ASN 75 Ca 0.63 0.02 0.19 0.00 0.21 0.00 0.00 52.86 53.91 2gj3 s ASN 75 Cb -0.17 0.07 0.98 0.00 -0.55 0.00 0.00 41.25 41.58 2gj3 s ASN 75 CO 0.56 -0.11 1.55 0.61 -2.79 0.00 0.00 177.10 176.93 2gj3 n GLY 76 N 0.08 -0.83 0.25 1.21 0.00 -1.26 -2.52 105.19 102.12 2gj3 n GLY 76 Ca 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2gj3 n GLY 76 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2gj3 h THR 77 N 0.00 1.17 -3.34 2.61 2.02 -1.97 -3.41 112.91 109.99 2gj3 h THR 77 Ca 0.00 -0.73 -0.57 0.00 0.77 0.00 0.00 66.41 65.88 2gj3 h THR 77 Cb 0.13 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 2gj3 h THR 77 CO 0.00 0.23 0.27 -0.89 0.37 0.00 0.00 175.52 175.50 2gj3 s THR 78 N -4.78 4.94 0.42 3.16 2.01 -1.05 -4.90 115.64 115.44 2gj3 s THR 78 Ca -0.06 1.57 -0.27 0.00 0.31 0.00 0.00 61.69 63.25 2gj3 s THR 78 Cb 0.16 -4.11 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 2gj3 s THR 78 CO 0.73 0.12 1.47 -2.84 -0.69 0.00 0.00 174.62 173.41 2gj3 s PRO 79 N 1.59 3.87 0.47 4.92 0.02 -1.26 -4.90 135.00 139.70 2gj3 s PRO 79 Ca 0.38 2.52 0.16 0.00 0.02 0.00 0.00 61.00 64.09 2gj3 s PRO 79 Cb -0.17 -2.80 1.10 0.00 0.02 0.00 0.00 34.50 32.64 2gj3 s PRO 79 CO 0.15 -0.71 2.02 0.00 -0.33 0.00 0.00 177.00 178.14 2gj3 h ARG 80 N 2.62 0.00 -0.01 5.54 2.47 -1.95 -0.08 114.38 122.96 2gj3 h ARG 80 Ca -0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2gj3 h ARG 80 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2gj3 h ARG 80 CO 0.62 0.15 0.03 -0.07 0.56 0.00 0.00 179.97 181.27 2gj3 h LEU 81 N 0.00 0.00 -0.76 3.04 3.38 -1.99 -0.99 115.31 117.99 2gj3 h LEU 81 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2gj3 h LEU 81 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2gj3 h LEU 81 CO 0.02 0.00 0.06 0.58 0.09 0.00 0.00 178.44 179.19 2gj3 h VAL 82 N 0.00 1.26 -0.40 1.22 2.07 -1.37 -0.40 116.25 118.63 2gj3 h VAL 82 Ca 0.01 -1.04 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 2gj3 h VAL 82 Cb 0.07 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2gj3 h VAL 82 CO -0.00 0.38 -0.29 1.88 0.02 0.00 0.00 177.57 179.56 2gj3 h TYR 83 N 0.94 0.99 -0.89 1.57 0.99 -1.32 -1.22 116.97 118.03 2gj3 h TYR 83 Ca 0.18 -0.26 -0.02 0.00 2.00 0.00 0.00 58.73 60.63 2gj3 h TYR 83 Cb 0.46 -0.23 -0.04 0.00 1.00 0.00 0.00 36.73 37.92 2gj3 h TYR 83 CO 0.03 1.04 0.48 1.96 -0.00 0.00 0.00 178.16 181.67 2gj3 h GLN 84 N 0.73 1.25 -0.03 4.88 4.20 -1.33 -1.75 115.11 123.05 2gj3 h GLN 84 Ca 0.08 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2gj3 h GLN 84 Cb 0.84 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 2gj3 h GLN 84 CO 0.07 0.92 0.01 0.00 -0.67 0.00 0.00 178.83 179.16 2gj3 h ALA 85 N 1.28 0.03 -0.21 3.87 0.00 -0.43 0.29 119.26 124.09 2gj3 h ALA 85 Ca 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2gj3 h ALA 85 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2gj3 h ALA 85 CO -0.05 -0.39 0.12 1.25 0.00 0.00 0.00 179.25 180.18 2gj3 h LEU 86 N -0.10 0.27 -0.78 0.00 6.46 -1.12 -2.42 115.31 117.62 2gj3 h LEU 86 Ca 0.01 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 2gj3 h LEU 86 Cb 0.15 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 2gj3 h LEU 86 CO -0.00 0.27 0.21 -0.50 -0.62 0.00 0.00 178.44 177.80 2gj3 h TRP 87 N 0.24 1.17 -0.61 1.25 4.06 -1.22 -1.43 115.95 119.41 2gj3 h TRP 87 Ca 0.07 -0.12 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2gj3 h TRP 87 Cb 0.07 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 27.86 2gj3 h TRP 87 CO -0.04 0.93 0.33 0.78 -3.56 0.00 0.00 178.44 176.89 2gj3 h GLY 88 N 1.10 0.89 0.54 1.49 0.00 -0.72 -0.19 103.07 106.17 2gj3 h GLY 88 Ca 0.23 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2gj3 h GLY 88 CO -0.00 0.37 -0.23 3.21 0.00 0.00 0.00 176.54 179.89 2gj3 h ARG 89 N 0.84 0.21 -0.96 4.80 2.47 -1.13 -3.24 114.38 117.38 2gj3 h ARG 89 Ca 0.22 -0.19 0.11 0.00 -1.26 0.00 0.00 59.98 58.86 2gj3 h ARG 89 Cb 0.02 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.31 2gj3 h ARG 89 CO -0.04 0.86 0.61 -0.07 0.56 0.00 0.00 179.97 181.89 2gj3 h LEU 90 N -0.37 0.88 -0.78 3.04 3.38 -1.00 0.04 115.31 120.50 2gj3 h LEU 90 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gj3 h LEU 90 Cb 0.91 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2gj3 h LEU 90 CO 0.05 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.08 2gj3 h ALA 91 N 1.54 1.00 -0.01 1.53 0.00 -1.11 -0.04 119.26 122.17 2gj3 h ALA 91 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2gj3 h ALA 91 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2gj3 h ALA 91 CO -0.21 0.00 -0.03 1.04 0.00 0.00 0.00 179.25 180.05 2gj3 n GLN 92 N -2.45 1.30 -2.29 0.00 6.02 -0.10 -4.92 117.38 114.94 2gj3 n GLN 92 Ca 0.02 -0.56 -0.09 0.00 -0.01 0.00 0.00 57.00 56.36 2gj3 n GLN 92 Cb 0.27 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.05 2gj3 n GLN 92 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2gj3 n LYS 93 N -0.36 -1.09 -4.36 -1.09 5.02 -0.03 -5.04 118.16 111.22 2gj3 n LYS 93 Ca 0.19 0.40 -0.26 0.00 -2.02 0.00 0.00 58.31 56.63 2gj3 n LYS 93 Cb 0.27 -4.30 -0.12 0.00 -0.02 0.00 0.00 35.03 30.86 2gj3 n LYS 93 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2gj3 s LYS 94 N -4.60 1.32 0.69 1.97 1.02 -0.60 -4.85 119.74 114.69 2gj3 s LYS 94 Ca 0.04 -1.34 -0.11 0.00 0.02 0.00 0.00 55.97 54.58 2gj3 s LYS 94 Cb -0.02 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2gj3 s LYS 94 CO 0.05 0.37 1.08 -1.25 -0.92 0.00 0.00 175.35 174.68 2gj3 s PRO 95 N -2.26 3.00 -0.02 -1.68 0.04 -1.26 -2.68 135.00 130.14 2gj3 s PRO 95 Ca 0.13 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.76 2gj3 s PRO 95 Cb -0.09 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 2gj3 s PRO 95 CO 0.06 -0.96 -0.09 -0.46 0.04 0.00 0.00 177.00 175.59 2gj3 s TRP 96 N -3.29 0.93 -0.02 0.56 -0.00 -0.30 -4.80 118.94 112.02 2gj3 s TRP 96 Ca 0.58 -0.21 0.03 0.00 -0.00 0.00 0.00 56.10 56.50 2gj3 s TRP 96 Cb -0.11 -0.63 -0.00 0.00 -0.00 0.00 0.00 33.47 32.72 2gj3 s TRP 96 CO 0.53 -0.06 -0.10 0.45 -0.00 0.00 0.00 176.95 177.77 2gj3 s SER 97 N -0.00 1.23 0.00 5.86 0.15 -1.26 -0.59 113.70 119.08 2gj3 s SER 97 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2gj3 s SER 97 Cb -0.06 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2gj3 s SER 97 CO 0.00 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2gj3 n GLY 98 N 3.05 1.41 3.26 9.45 0.00 -0.42 -5.01 105.19 116.93 2gj3 n GLY 98 Ca -0.16 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 2gj3 n GLY 98 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gj3 s VAL 99 N -2.26 1.63 0.20 1.61 -7.23 -1.26 -0.96 120.40 112.12 2gj3 s VAL 99 Ca 0.00 -1.35 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 2gj3 s VAL 99 Cb 0.00 -1.45 0.04 0.00 0.56 0.00 0.00 36.38 35.52 2gj3 s VAL 99 CO 0.00 0.05 0.56 -1.48 -0.31 0.00 0.00 175.10 173.92 2gj3 s LEU 100 N -1.53 -0.08 -0.23 1.32 2.34 -0.82 -4.99 118.68 114.68 2gj3 s LEU 100 Ca 0.06 -0.40 -0.08 0.00 0.06 0.00 0.00 54.13 53.77 2gj3 s LEU 100 Cb -0.09 2.30 -0.04 0.00 -0.56 0.00 0.00 46.19 47.80 2gj3 s LEU 100 CO 0.03 -1.07 0.09 -0.69 -1.06 0.00 0.00 176.35 173.65 2gj3 s VAL 101 N -3.85 4.75 0.25 1.48 1.01 -1.26 -0.16 120.40 122.62 2gj3 s VAL 101 Ca 0.08 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.10 2gj3 s VAL 101 Cb -0.02 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2gj3 s VAL 101 CO -0.04 0.37 0.15 0.20 0.00 0.00 0.00 175.10 175.79 2gj3 s ASN 102 N 1.09 5.32 -0.17 3.32 0.01 0.07 -4.52 114.94 120.06 2gj3 s ASN 102 Ca 0.05 -0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 2gj3 s ASN 102 Cb -0.14 -1.29 -0.02 0.00 0.41 0.00 0.00 41.25 40.21 2gj3 s ASN 102 CO 0.04 -0.02 -0.07 -0.60 -1.51 0.00 0.00 177.10 174.94 2gj3 s ARG 103 N -3.73 3.47 0.77 -0.60 3.52 0.22 -0.80 118.95 121.80 2gj3 s ARG 103 Ca 0.32 -0.62 -0.10 0.00 -0.13 0.00 0.00 55.73 55.21 2gj3 s ARG 103 Cb -0.08 -2.85 0.07 0.00 -1.56 0.00 0.00 34.95 30.54 2gj3 s ARG 103 CO 0.24 0.08 1.11 1.03 -0.81 0.00 0.00 175.30 176.95 2gj3 s ARG 104 N 0.75 2.07 0.32 5.12 0.52 -0.05 -4.50 118.95 123.17 2gj3 s ARG 104 Ca -0.03 -0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2gj3 s ARG 104 Cb -0.15 -2.04 0.63 0.00 0.52 0.00 0.00 34.95 33.92 2gj3 s ARG 104 CO 0.02 -1.45 1.89 -0.22 0.02 0.00 0.00 175.30 175.56 2gj3 h LYS 105 N -0.87 0.88 0.00 3.54 3.64 -1.02 -0.03 116.57 122.71 2gj3 h LYS 105 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2gj3 h LYS 105 Cb 1.32 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2gj3 h LYS 105 CO 0.64 0.58 0.00 -0.40 -2.27 0.00 0.00 179.45 178.00 2gj3 n ASP 106 N -4.54 0.00 0.00 4.20 5.68 -1.26 -4.88 116.55 115.75 2gj3 n ASP 106 Ca 0.16 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 2gj3 n ASP 106 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2gj3 n ASP 106 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2gj3 n LYS 107 N -0.78 -0.01 -1.57 0.11 5.02 -0.02 -5.02 118.16 115.88 2gj3 n LYS 107 Ca 0.12 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 2gj3 n LYS 107 Cb 0.06 -2.71 0.05 0.00 -0.02 0.00 0.00 35.03 32.41 2gj3 n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2gj3 s THR 108 N -3.60 3.84 0.11 -0.18 -4.23 -1.26 -4.78 115.64 105.53 2gj3 s THR 108 Ca 0.00 0.64 0.09 0.00 -1.18 0.00 0.00 61.69 61.24 2gj3 s THR 108 Cb 0.00 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 2gj3 s THR 108 CO 0.00 -0.74 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.38 2gj3 s LEU 109 N -5.47 2.62 -0.05 4.79 1.43 -1.26 -0.87 118.68 119.87 2gj3 s LEU 109 Ca 0.60 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 2gj3 s LEU 109 Cb -0.15 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.60 2gj3 s LEU 109 CO 0.52 0.19 0.17 -0.72 0.23 0.00 0.00 176.35 176.74 2gj3 s TYR 110 N -1.11 -0.14 -0.19 0.29 1.13 0.02 -4.97 117.35 112.38 2gj3 s TYR 110 Ca 0.17 0.33 -0.29 0.00 -1.41 0.00 0.00 57.07 55.87 2gj3 s TYR 110 Cb -0.10 0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 40.79 2gj3 s TYR 110 CO 0.09 -0.14 1.18 -1.17 -2.51 0.00 0.00 175.55 173.00 2gj3 s LEU 111 N -0.26 4.15 0.01 -3.49 2.96 -1.26 -0.75 118.68 120.04 2gj3 s LEU 111 Ca -0.04 1.58 0.03 0.00 -0.22 0.00 0.00 54.13 55.49 2gj3 s LEU 111 Cb -0.03 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 2gj3 s LEU 111 CO 0.01 -0.72 -0.05 0.00 -1.32 0.00 0.00 176.35 174.26 2gj3 s ALA 112 N 3.36 3.08 -0.26 5.97 0.00 0.78 -1.62 121.76 133.06 2gj3 s ALA 112 Ca 0.51 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 2gj3 s ALA 112 Cb -0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2gj3 s ALA 112 CO 0.12 0.63 0.09 -2.00 0.00 0.00 0.00 175.76 174.59 2gj3 s GLU 113 N -1.53 3.57 -0.05 0.00 2.12 -0.80 -1.95 118.70 120.06 2gj3 s GLU 113 Ca 0.18 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 55.03 2gj3 s GLU 113 Cb -0.11 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 2gj3 s GLU 113 CO 0.09 -0.25 -0.23 -1.17 -0.54 0.00 0.00 175.26 173.16 2gj3 s LEU 114 N 1.61 2.04 -0.11 2.70 2.96 -0.13 -1.34 118.68 126.41 2gj3 s LEU 114 Ca 0.06 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2gj3 s LEU 114 Cb -0.16 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 2gj3 s LEU 114 CO 0.04 0.23 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.20 2gj3 s THR 115 N -0.19 2.24 0.11 3.68 2.01 0.10 -1.30 115.64 122.29 2gj3 s THR 115 Ca -0.02 -0.95 0.10 0.00 0.31 0.00 0.00 61.69 61.13 2gj3 s THR 115 Cb -0.13 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2gj3 s THR 115 CO 0.03 0.55 -0.25 0.68 -0.69 0.00 0.00 174.62 174.94 2gj3 s VAL 116 N 0.40 2.38 0.00 3.82 -7.23 0.24 -0.79 120.40 119.22 2gj3 s VAL 116 Ca -0.16 -1.63 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 2gj3 s VAL 116 Cb -0.17 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2gj3 s VAL 116 CO 0.07 0.15 0.28 0.00 -0.31 0.00 0.00 175.10 175.29 2gj3 s ALA 117 N -1.03 -0.68 0.38 1.32 0.00 -0.04 -1.15 121.76 120.56 2gj3 s ALA 117 Ca 0.14 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 2gj3 s ALA 117 Cb -0.10 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 2gj3 s ALA 117 CO 0.06 -0.29 1.07 -1.25 0.00 0.00 0.00 175.76 175.35 2gj3 s PRO 118 N -1.64 4.22 -0.30 0.00 0.04 -1.26 -0.79 135.00 135.27 2gj3 s PRO 118 Ca -0.12 1.59 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 2gj3 s PRO 118 Cb -0.04 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 2gj3 s PRO 118 CO 0.02 -0.10 0.16 0.08 0.04 0.00 0.00 177.00 177.20 2gj3 s VAL 119 N -1.56 4.82 -0.02 -0.36 1.01 0.00 -4.86 120.40 119.43 2gj3 s VAL 119 Ca 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2gj3 s VAL 119 Cb -0.24 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2gj3 s VAL 119 CO 0.31 0.14 0.03 -0.76 0.00 0.00 0.00 175.10 174.81 2gj3 s LEU 120 N 1.66 3.66 0.00 3.92 1.43 -1.26 -0.32 118.68 127.76 2gj3 s LEU 120 Ca 0.06 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2gj3 s LEU 120 Cb -0.17 -2.04 0.10 0.00 0.03 0.00 0.00 46.19 44.11 2gj3 s LEU 120 CO 0.08 0.30 0.56 -0.46 0.23 0.00 0.00 176.35 177.06 2gj3 n ASN 121 N 1.51 0.03 0.27 2.29 2.04 0.17 -4.89 115.26 116.68 2gj3 n ASN 121 Ca -0.15 -1.20 0.17 0.00 -0.44 0.00 0.00 54.58 52.96 2gj3 n ASN 121 Cb 0.53 -0.43 0.67 0.00 -2.53 0.00 0.00 39.78 38.02 2gj3 n ASN 121 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2gj3 h GLU 122 N 0.00 0.00 -0.03 -3.83 3.07 -2.01 -0.82 114.58 110.96 2gj3 h GLU 122 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2gj3 h GLU 122 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2gj3 h GLU 122 CO 0.13 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.74 2gj3 n ALA 123 N -2.08 2.60 -0.89 3.43 0.00 -1.26 -4.94 120.51 117.37 2gj3 n ALA 123 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2gj3 n ALA 123 Cb 0.31 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2gj3 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gj3 n GLY 124 N 1.10 0.47 3.88 0.00 0.00 -0.31 -5.04 105.19 105.30 2gj3 n GLY 124 Ca 0.20 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 2gj3 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gj3 s GLU 125 N -1.40 3.51 0.03 1.61 2.02 -1.26 -4.82 118.70 118.39 2gj3 s GLU 125 Ca 0.00 -0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 2gj3 s GLU 125 Cb 0.00 -3.15 -0.05 0.00 0.10 0.00 0.00 34.13 31.03 2gj3 s GLU 125 CO 0.00 0.72 1.19 0.99 0.02 0.00 0.00 175.26 178.18 2gj3 s THR 126 N -1.16 4.14 -0.06 3.63 2.01 -1.26 -0.65 115.64 122.29 2gj3 s THR 126 Ca 0.21 1.52 0.09 0.00 0.31 0.00 0.00 61.69 63.82 2gj3 s THR 126 Cb -0.13 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.28 2gj3 s THR 126 CO 0.11 0.09 0.11 2.30 -0.69 0.00 0.00 174.62 176.53 2gj3 n ILE 127 N 4.11 0.36 -4.00 1.82 -5.35 0.56 -4.93 119.36 111.93 2gj3 n ILE 127 Ca 0.09 -0.32 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 2gj3 n ILE 127 Cb 0.47 -0.31 -0.05 0.00 -1.74 0.00 0.00 39.64 38.01 2gj3 n ILE 127 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2gj3 s TYR 128 N -2.42 0.42 0.11 4.28 2.02 -1.16 -4.78 117.35 115.82 2gj3 s TYR 128 Ca -0.04 -0.78 0.08 0.00 -0.37 0.00 0.00 57.07 55.96 2gj3 s TYR 128 Cb 0.04 0.19 -0.04 0.00 -0.40 0.00 0.00 41.96 41.76 2gj3 s TYR 128 CO 0.39 -1.03 -0.15 0.71 -1.57 0.00 0.00 175.55 173.89 2gj3 s TYR 129 N -3.85 2.60 -0.11 2.71 4.12 -0.57 -0.82 117.35 121.44 2gj3 s TYR 129 Ca 0.23 -0.23 0.02 0.00 0.02 0.00 0.00 57.07 57.11 2gj3 s TYR 129 Cb -0.01 -1.38 -0.01 0.00 -1.52 0.00 0.00 41.96 39.04 2gj3 s TYR 129 CO 0.10 0.40 -0.17 -1.17 0.02 0.00 0.00 175.55 174.73 2gj3 s LEU 130 N -2.15 2.51 -0.06 -1.29 2.96 0.03 -0.68 118.68 120.00 2gj3 s LEU 130 Ca 0.19 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2gj3 s LEU 130 Cb -0.11 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2gj3 s LEU 130 CO 0.11 0.19 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.29 2gj3 s GLY 131 N 0.17 1.38 -0.08 7.98 0.00 0.38 -0.86 107.32 116.29 2gj3 s GLY 131 Ca -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2gj3 s GLY 131 CO 0.06 -0.63 -0.06 1.06 0.00 0.00 0.00 173.10 173.53 2gj3 s MET 132 N -0.25 1.18 0.09 2.90 -1.94 0.03 -0.97 119.30 120.34 2gj3 s MET 132 Ca -0.00 -0.16 -0.10 0.00 -1.71 0.00 0.00 55.69 53.72 2gj3 s MET 132 Cb -0.13 -1.24 0.00 0.00 2.01 0.00 0.00 34.83 35.48 2gj3 s MET 132 CO 0.03 -0.18 0.22 -3.38 -0.01 0.00 0.00 175.02 171.70 2gj3 s HIS 133 N 1.41 0.09 0.08 -0.03 -3.43 0.05 -0.72 115.29 112.74 2gj3 s HIS 133 Ca -0.02 -0.50 0.07 0.00 -0.80 0.00 0.00 55.06 53.81 2gj3 s HIS 133 Cb -0.13 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 2gj3 s HIS 133 CO -0.04 -0.56 -0.16 -0.98 -2.00 0.00 0.00 174.74 171.01 2gj3 s ARG 134 N -3.80 2.02 -0.33 -0.38 1.70 -0.45 -0.89 118.95 116.83 2gj3 s ARG 134 Ca 0.04 -1.04 -0.18 0.00 -0.47 0.00 0.00 55.73 54.09 2gj3 s ARG 134 Cb 0.04 -2.21 -0.01 0.00 -0.57 0.00 0.00 34.95 32.20 2gj3 s ARG 134 CO -0.11 0.52 0.49 0.34 -1.08 0.00 0.00 175.30 175.46 2gj3 s ASP 135 N -1.83 6.32 0.00 -2.89 -1.08 -1.26 -1.91 116.67 114.01 2gj3 s ASP 135 Ca 0.17 0.09 0.29 0.00 -0.52 0.00 0.00 52.55 52.58 2gj3 s ASP 135 Cb -0.11 -2.26 1.28 0.00 -1.46 0.00 0.00 42.92 40.37 2gj3 s ASP 135 CO 0.09 -0.41 1.87 0.35 0.52 0.00 0.00 175.17 177.59 2gj3 n THR 136 N 5.34 0.00 -1.52 1.71 -2.24 -0.64 -4.93 114.28 112.01 2gj3 n THR 136 Ca -0.05 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 2gj3 n THR 136 Cb 0.49 0.22 0.07 0.00 -2.10 0.00 0.00 70.33 69.02 2gj3 n THR 136 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gj3 s SER 137 N -2.01 4.79 0.00 3.42 1.04 -1.26 -4.98 113.70 114.70 2gj3 s SER 137 Ca 0.40 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.77 2gj3 s SER 137 Cb 0.21 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2gj3 s SER 137 CO 0.35 -1.84 0.00 -0.62 0.98 0.00 0.00 173.24 172.10 2gj3 n GLU 138 N -2.92 4.22 -0.46 4.02 1.02 -1.26 -4.84 120.64 120.43 2gj3 n GLU 138 Ca 0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 2gj3 n GLU 138 Cb 0.52 -0.33 0.27 0.00 -0.02 0.00 0.00 31.44 31.88 2gj3 n GLU 138 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2gj3 n LEU 139 N -0.63 3.99 -0.44 -4.62 4.77 -1.26 -5.33 117.00 113.49 2gj3 n LEU 139 Ca 0.00 -2.72 0.06 0.00 -0.03 0.00 0.00 56.01 53.32 2gj3 n LEU 139 Cb 0.00 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.64 2gj3 n LEU 139 CO 0.00 0.70 0.43 1.57 -1.33 0.00 0.00 177.39 178.75