#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gj3 n LEU 22 N 0.00 -0.16 -4.69 0.00 4.77 -1.26 -4.94 117.00 110.72 2gj3 n LEU 22 Ca 0.00 0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 56.31 2gj3 n LEU 22 Cb 0.00 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 2gj3 n LEU 22 CO 0.00 -1.37 1.44 -0.76 -1.33 0.00 0.00 177.39 175.38 2gj3 s LEU 23 N 0.37 4.39 0.52 2.23 1.43 -1.26 -4.86 118.68 121.51 2gj3 s LEU 23 Ca 0.55 2.69 0.28 0.00 -1.03 0.00 0.00 54.13 56.63 2gj3 s LEU 23 Cb -0.78 -3.56 1.42 0.00 0.03 0.00 0.00 46.19 43.30 2gj3 s LEU 23 CO 0.37 -0.98 2.05 1.55 0.23 0.00 0.00 176.35 179.57 2gj3 h PRO 24 N 8.61 0.00 -1.00 1.29 0.13 -2.05 -2.72 132.00 136.26 2gj3 h PRO 24 Ca -0.45 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.94 2gj3 h PRO 24 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2gj3 h PRO 24 CO 0.94 0.12 0.68 0.93 -0.23 0.00 0.00 178.00 180.45 2gj3 h GLU 25 N 0.00 0.20 0.00 0.86 3.07 -2.04 -2.89 114.58 113.78 2gj3 h GLU 25 Ca -0.00 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 2gj3 h GLU 25 Cb 0.38 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2gj3 h GLU 25 CO 0.02 0.13 -0.27 -0.84 -1.40 0.00 0.00 179.01 176.64 2gj3 h ILE 26 N 0.20 0.69 -0.21 3.13 3.07 -1.87 -3.14 117.51 119.38 2gj3 h ILE 26 Ca 0.51 -1.22 -0.06 0.00 1.55 0.00 0.00 64.86 65.64 2gj3 h ILE 26 Cb 1.64 1.79 -0.01 0.00 -0.27 0.00 0.00 36.82 39.98 2gj3 h ILE 26 CO -0.13 0.27 -0.09 -0.26 -1.05 0.00 0.00 178.15 176.89 2gj3 h PHE 27 N 0.00 0.50 -0.65 0.16 0.04 -1.74 -1.30 116.94 113.95 2gj3 h PHE 27 Ca -0.00 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.67 2gj3 h PHE 27 Cb 0.77 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 2gj3 h PHE 27 CO 0.00 0.71 0.42 -0.09 -0.60 0.00 0.00 178.31 178.75 2gj3 h ARG 28 N 0.14 0.81 -0.73 1.51 2.43 -1.74 -0.89 114.38 115.90 2gj3 h ARG 28 Ca 0.05 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2gj3 h ARG 28 Cb 0.58 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2gj3 h ARG 28 CO 0.03 0.53 0.33 1.96 -1.51 0.00 0.00 179.97 181.31 2gj3 h GLN 29 N 0.83 1.06 -0.09 0.20 4.20 -1.51 0.24 115.11 120.04 2gj3 h GLN 29 Ca 0.25 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2gj3 h GLN 29 Cb -0.03 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 2gj3 h GLN 29 CO -0.08 0.83 0.05 1.15 -0.67 0.00 0.00 178.83 180.11 2gj3 h THR 30 N 1.04 1.05 -0.26 -0.54 2.02 -0.70 -2.30 112.91 113.22 2gj3 h THR 30 Ca 0.25 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.36 2gj3 h THR 30 Cb 0.14 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 2gj3 h THR 30 CO -0.03 0.05 -0.12 0.58 0.37 0.00 0.00 175.52 176.37 2gj3 h VAL 31 N 0.09 0.61 -0.77 3.16 2.07 -0.83 -1.78 116.25 118.80 2gj3 h VAL 31 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 2gj3 h VAL 31 Cb 0.03 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2gj3 h VAL 31 CO -0.01 0.00 0.42 -0.08 0.02 0.00 0.00 177.57 177.92 2gj3 h GLU 32 N -0.08 0.68 -0.73 1.57 4.57 -0.54 -2.61 114.58 117.45 2gj3 h GLU 32 Ca 0.14 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2gj3 h GLU 32 Cb 0.29 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2gj3 h GLU 32 CO -0.32 0.45 0.00 0.72 -1.18 0.00 0.00 179.01 178.69 2gj3 n HIS 33 N -4.80 0.97 -2.35 0.92 8.25 -0.90 -2.10 115.22 115.21 2gj3 n HIS 33 Ca 0.12 -0.48 -0.37 0.00 -0.26 0.00 0.00 57.72 56.74 2gj3 n HIS 33 Cb 0.27 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.03 2.97 -0.56 -1.41 0.00 -0.68 -4.90 121.76 116.15 2gj3 s ALA 34 Ca 0.49 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 2gj3 s ALA 34 Cb 0.26 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 20.07 2gj3 s ALA 34 CO 0.33 -0.53 2.79 -0.35 0.00 0.00 0.00 175.76 178.00 2gj3 n PRO 35 N -0.49 2.71 -3.82 0.00 -0.04 -1.26 -4.47 135.00 127.63 2gj3 n PRO 35 Ca 0.07 -2.41 -0.12 0.00 -0.04 0.00 0.00 63.50 61.00 2gj3 n PRO 35 Cb 0.49 -2.21 -0.11 0.00 -0.04 0.00 0.00 33.50 31.63 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 -1.80 0.03 0.05 0.52 1.10 -1.26 -5.05 121.20 114.79 2gj3 s ILE 36 Ca 0.59 -0.21 -0.31 0.00 -0.51 0.00 0.00 60.65 60.21 2gj3 s ILE 36 Cb 0.35 -0.34 -0.07 0.00 0.15 0.00 0.00 42.46 42.55 2gj3 s ILE 36 CO -0.19 -0.12 1.51 0.00 -2.11 0.00 0.00 174.94 174.04 2gj3 s ALA 37 N -0.38 3.63 -0.07 1.50 0.00 -0.64 -4.57 121.76 121.24 2gj3 s ALA 37 Ca -0.05 1.06 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2gj3 s ALA 37 Cb -0.03 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.48 2gj3 s ALA 37 CO 0.01 -0.97 -0.05 0.42 0.00 0.00 0.00 175.76 175.18 2gj3 s ILE 38 N 2.35 0.64 0.17 0.00 1.01 -1.26 -0.90 121.20 123.21 2gj3 s ILE 38 Ca 0.68 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 61.29 2gj3 s ILE 38 Cb -0.36 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2gj3 s ILE 38 CO 0.29 0.27 -0.17 -0.94 0.00 0.00 0.00 174.94 174.40 2gj3 s SER 39 N 1.31 2.60 -0.08 3.58 1.04 0.51 -1.49 113.70 121.18 2gj3 s SER 39 Ca -0.04 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.53 2gj3 s SER 39 Cb -0.14 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.85 2gj3 s SER 39 CO -0.02 -0.07 -0.15 -0.63 0.98 0.00 0.00 173.24 173.34 2gj3 s ILE 40 N -2.22 1.40 0.25 -1.02 1.01 -0.23 -0.48 121.20 119.91 2gj3 s ILE 40 Ca 0.16 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.27 2gj3 s ILE 40 Cb -0.05 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 2gj3 s ILE 40 CO 0.06 0.41 -0.13 0.42 0.00 0.00 0.00 174.94 175.71 2gj3 s THR 41 N 0.61 1.91 0.92 2.92 -4.23 0.33 -0.23 115.64 117.88 2gj3 s THR 41 Ca -0.15 -2.24 -0.16 0.00 -1.18 0.00 0.00 61.69 57.97 2gj3 s THR 41 Cb -0.16 -2.24 0.22 0.00 1.34 0.00 0.00 72.50 71.66 2gj3 s THR 41 CO 0.05 -0.46 1.07 -0.90 -0.54 0.00 0.00 174.62 173.84 2gj3 n ASP 42 N -0.51 -0.68 0.00 3.99 5.68 -0.57 -1.21 116.55 123.26 2gj3 n ASP 42 Ca -0.06 -1.29 0.06 0.00 -0.50 0.00 0.00 54.79 53.00 2gj3 n ASP 42 Cb 0.61 -0.87 0.29 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.28 -2.12 4.77 -1.26 -1.67 117.00 116.44 2gj3 n LEU 43 Ca 0.14 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 2gj3 n LEU 43 Cb 0.50 -0.38 0.26 0.00 -2.33 0.00 0.00 43.42 41.46 2gj3 n LEU 43 CO 0.36 -0.22 0.53 0.29 -1.33 0.00 0.00 177.39 177.01 2gj3 n LYS 44 N -1.38 0.84 -1.01 3.23 5.02 -1.26 -4.96 118.16 118.64 2gj3 n LYS 44 Ca 0.05 -0.57 -0.00 0.00 -2.02 0.00 0.00 58.31 55.77 2gj3 n LYS 44 Cb 0.12 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.59 -0.00 -2.57 7.82 0.00 -0.67 -4.93 120.51 119.57 2gj3 n ALA 45 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2gj3 n ALA 45 Cb 0.38 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.74 7.37 -0.14 0.00 0.01 -1.26 -1.62 114.94 116.56 2gj3 s ASN 46 Ca 0.00 1.73 -0.29 0.00 -0.71 0.00 0.00 52.86 53.59 2gj3 s ASN 46 Cb 0.00 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 2gj3 s ASN 46 CO 0.00 -0.23 1.23 -0.63 -1.51 0.00 0.00 177.10 175.96 2gj3 s ILE 47 N 0.75 4.30 -0.08 0.60 1.01 0.34 -1.51 121.20 126.62 2gj3 s ILE 47 Ca 0.51 1.59 0.21 0.00 0.00 0.00 0.00 60.65 62.96 2gj3 s ILE 47 Cb -0.22 -4.02 -0.30 0.00 0.01 0.00 0.00 42.46 37.93 2gj3 s ILE 47 CO 0.29 -0.11 0.44 0.18 0.00 0.00 0.00 174.94 175.74 2gj3 n LEU 48 N 6.27 0.07 -3.63 2.97 4.77 0.69 -0.37 117.00 127.78 2gj3 n LEU 48 Ca 0.13 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 2gj3 n LEU 48 Cb 0.45 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 2gj3 n LEU 48 CO 0.55 0.09 0.42 -0.47 -1.33 0.00 0.00 177.39 176.66 2gj3 s TYR 49 N -3.29 -0.79 -0.01 -1.77 5.04 -1.06 -4.94 117.35 110.53 2gj3 s TYR 49 Ca -0.08 1.92 -0.04 0.00 -2.44 0.00 0.00 57.07 56.44 2gj3 s TYR 49 Cb 0.12 0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.70 2gj3 s TYR 49 CO 0.88 -0.38 0.08 0.00 -1.34 0.00 0.00 175.55 174.80 2gj3 s ALA 50 N 0.38 -0.19 0.78 3.97 0.00 -1.26 -1.07 121.76 124.37 2gj3 s ALA 50 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 2gj3 s ALA 50 Cb -0.05 0.01 0.15 0.00 0.00 0.00 0.00 23.12 23.23 2gj3 s ALA 50 CO 0.01 -0.13 1.07 0.54 0.00 0.00 0.00 175.76 177.25 2gj3 s ASN 51 N -0.84 4.02 0.17 0.00 4.22 -0.55 -4.94 114.94 117.01 2gj3 s ASN 51 Ca -0.09 -0.30 -0.15 0.00 -2.14 0.00 0.00 52.86 50.18 2gj3 s ASN 51 Cb -0.05 0.04 0.05 0.00 1.28 0.00 0.00 41.25 42.57 2gj3 s ASN 51 CO 0.00 -2.10 1.82 0.03 -2.04 0.00 0.00 177.10 174.82 2gj3 h ARG 52 N -0.79 0.59 -0.98 3.55 -0.00 -1.71 -2.52 114.38 112.52 2gj3 h ARG 52 Ca -0.37 -0.04 0.04 0.00 -0.50 0.00 0.00 59.98 59.11 2gj3 h ARG 52 Cb 1.26 -0.13 -0.06 0.00 0.00 0.00 0.00 29.97 31.04 2gj3 h ARG 52 CO 0.38 0.39 0.65 0.00 0.00 0.00 0.00 179.97 181.39 2gj3 h ALA 53 N 1.19 1.36 -0.38 0.04 0.00 -1.78 1.00 119.26 120.68 2gj3 h ALA 53 Ca 0.18 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2gj3 h ALA 53 Cb -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 2gj3 h ALA 53 CO -0.05 0.55 0.15 0.35 0.00 0.00 0.00 179.25 180.24 2gj3 h PHE 54 N 1.25 0.27 -0.54 0.00 3.04 -1.72 0.74 116.94 119.98 2gj3 h PHE 54 Ca 0.39 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.35 2gj3 h PHE 54 Cb -0.00 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 2gj3 h PHE 54 CO -0.00 0.12 0.32 0.00 -2.02 0.00 0.00 178.31 176.73 2gj3 h ARG 55 N 0.32 0.74 0.00 1.11 3.08 -0.73 -0.43 114.38 118.47 2gj3 h ARG 55 Ca 0.17 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2gj3 h ARG 55 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2gj3 h ARG 55 CO -0.15 0.54 -0.00 1.15 -1.07 0.00 0.00 179.97 180.44 2gj3 h THR 56 N 0.73 1.26 -0.64 2.04 2.02 -0.49 -0.82 112.91 117.01 2gj3 h THR 56 Ca 0.19 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.51 2gj3 h THR 56 Cb 0.00 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 2gj3 h THR 56 CO -0.04 0.20 0.04 0.40 0.37 0.00 0.00 175.52 176.50 2gj3 h ILE 57 N -0.33 1.27 0.00 3.11 2.04 -0.81 -3.27 117.51 119.51 2gj3 h ILE 57 Ca -0.00 -1.12 -0.14 0.00 1.00 0.00 0.00 64.86 64.60 2gj3 h ILE 57 Cb 0.33 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2gj3 h ILE 57 CO 0.00 0.41 -1.56 0.35 0.00 0.00 0.00 178.15 177.35 2gj3 n THR 58 N -4.19 0.95 -0.01 -0.27 -2.24 -0.18 -4.82 114.28 103.52 2gj3 n THR 58 Ca 0.04 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2gj3 n THR 58 Cb 0.33 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2gj3 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gj3 n GLY 59 N 1.39 1.20 3.77 3.38 0.00 -0.31 0.33 105.19 114.94 2gj3 n GLY 59 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.42 3.91 0.75 1.61 1.51 -1.23 -4.78 117.35 116.70 2gj3 s TYR 60 Ca 0.00 1.68 -0.08 0.00 -1.01 0.00 0.00 57.07 57.66 2gj3 s TYR 60 Cb 0.00 -2.81 0.08 0.00 -0.11 0.00 0.00 41.96 39.12 2gj3 s TYR 60 CO 0.00 0.49 1.06 0.20 -1.11 0.00 0.00 175.55 176.19 2gj3 s GLY 61 N -1.07 1.70 0.19 0.71 0.00 -1.26 -4.42 107.32 103.17 2gj3 s GLY 61 Ca 0.37 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.97 2gj3 s GLY 61 CO 0.27 -0.54 1.79 1.76 0.00 0.00 0.00 173.10 176.39 2gj3 h SER 62 N -0.76 0.44 0.50 1.64 0.02 -1.98 -0.15 113.55 113.26 2gj3 h SER 62 Ca -0.44 0.03 -0.30 0.00 -0.84 0.00 0.00 61.79 60.25 2gj3 h SER 62 Cb 1.30 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 2gj3 h SER 62 CO 0.56 0.30 -1.58 -0.33 -1.14 0.00 0.00 176.83 174.64 2gj3 h GLU 63 N 0.58 0.13 0.00 3.45 3.07 -1.99 -3.39 114.58 116.43 2gj3 h GLU 63 Ca 0.25 -0.22 -0.16 0.00 -0.50 0.00 0.00 59.36 58.74 2gj3 h GLU 63 Cb 0.15 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2gj3 h GLU 63 CO -0.17 0.89 -0.75 1.05 -1.40 0.00 0.00 179.01 178.63 2gj3 h GLU 64 N 0.03 0.00 -0.29 2.33 4.11 -1.86 -3.28 114.58 115.62 2gj3 h GLU 64 Ca -0.25 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.11 2gj3 h GLU 64 Cb 1.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.22 2gj3 h GLU 64 CO 0.12 0.75 -0.10 -0.24 0.07 0.00 0.00 179.01 179.60 2gj3 h VAL 65 N 0.00 1.22 -2.72 -1.06 3.04 -1.21 -3.43 116.25 112.09 2gj3 h VAL 65 Ca -0.01 -0.96 -0.52 0.00 -1.01 0.00 0.00 66.70 64.20 2gj3 h VAL 65 Cb 1.47 1.12 0.05 0.00 -2.01 0.00 0.00 31.29 31.92 2gj3 h VAL 65 CO 0.10 0.32 0.98 -0.76 -1.01 0.00 0.00 177.57 177.19 2gj3 s LEU 66 N -8.89 4.37 0.00 3.16 1.43 -1.24 -1.62 118.68 115.90 2gj3 s LEU 66 Ca -0.07 2.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 2gj3 s LEU 66 Cb 0.15 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2gj3 s LEU 66 CO 0.77 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2gj3 n GLY 67 N 3.90 2.28 3.78 -3.19 0.00 0.50 -4.99 105.19 107.48 2gj3 n GLY 67 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.07 3.10 0.39 1.61 3.01 -0.64 -4.53 119.74 122.61 2gj3 s LYS 68 Ca 0.00 1.42 -0.21 0.00 -1.01 0.00 0.00 55.97 56.18 2gj3 s LYS 68 Cb 0.00 -1.99 -0.10 0.00 -1.01 0.00 0.00 37.83 34.73 2gj3 s LYS 68 CO 0.00 -1.01 0.91 1.21 0.51 0.00 0.00 175.35 176.96 2gj3 s ASN 69 N -2.34 6.99 0.49 2.83 3.84 -1.26 -0.50 114.94 124.98 2gj3 s ASN 69 Ca 0.68 1.64 0.25 0.00 0.21 0.00 0.00 52.86 55.65 2gj3 s ASN 69 Cb -0.21 -2.52 1.31 0.00 -0.55 0.00 0.00 41.25 39.29 2gj3 s ASN 69 CO 0.35 -0.27 1.88 -0.33 -2.79 0.00 0.00 177.10 175.94 2gj3 h GLU 70 N 2.25 0.16 -0.15 0.43 4.39 -1.67 -1.19 114.58 118.81 2gj3 h GLU 70 Ca -0.48 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.25 2gj3 h GLU 70 Cb 1.18 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 2gj3 h GLU 70 CO 0.63 0.11 0.42 0.66 -1.16 0.00 0.00 179.01 179.67 2gj3 h SER 71 N 0.17 0.00 -0.11 1.42 4.64 -1.93 -0.35 113.55 117.38 2gj3 h SER 71 Ca 0.44 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.79 2gj3 h SER 71 Cb 1.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2gj3 h SER 71 CO -0.08 0.00 0.33 -0.29 -0.87 0.00 0.00 176.83 175.92 2gj3 h ILE 72 N 0.00 0.13 -0.01 0.95 6.09 -1.61 -0.38 117.51 122.68 2gj3 h ILE 72 Ca 0.07 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.56 2gj3 h ILE 72 Cb 0.92 0.70 0.00 0.00 0.47 0.00 0.00 36.82 38.90 2gj3 h ILE 72 CO -0.00 0.00 -0.12 0.18 -3.07 0.00 0.00 178.15 175.14 2gj3 n LEU 73 N -3.17 0.81 -4.70 2.19 4.77 -0.14 -4.80 117.00 111.95 2gj3 n LEU 73 Ca 0.00 -0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.43 2gj3 n LEU 73 Cb 0.41 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2gj3 n LEU 73 CO 0.18 0.14 0.06 -0.94 -1.33 0.00 0.00 177.39 175.50 2gj3 s SER 74 N -2.33 6.47 -1.07 -1.43 1.04 -0.16 0.08 113.70 116.30 2gj3 s SER 74 Ca 0.31 0.55 -0.22 0.00 0.48 0.00 0.00 55.95 57.07 2gj3 s SER 74 Cb 0.20 -2.22 -0.00 0.00 0.10 0.00 0.00 66.02 64.10 2gj3 s SER 74 CO 0.45 0.01 1.76 0.21 0.98 0.00 0.00 173.24 176.64 2gj3 s ASN 75 N 0.76 5.86 0.00 7.02 2.47 -1.26 -4.76 114.94 125.03 2gj3 s ASN 75 Ca 0.19 -1.46 0.00 0.00 0.42 0.00 0.00 52.86 52.01 2gj3 s ASN 75 Cb -0.14 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2gj3 s ASN 75 CO 0.07 -2.14 0.00 0.61 -3.72 0.00 0.00 177.10 171.92 2gj3 n GLY 76 N 6.37 0.00 0.08 1.21 0.00 -1.26 -3.40 105.19 108.19 2gj3 n GLY 76 Ca 0.41 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.43 2gj3 n GLY 76 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gj3 n THR 77 N 0.11 0.85 -2.69 2.61 5.66 -1.26 -5.02 114.28 114.53 2gj3 n THR 77 Ca 0.00 -0.92 -0.42 0.00 -3.05 0.00 0.00 64.05 59.66 2gj3 n THR 77 Cb 0.00 0.58 -0.03 0.00 -1.55 0.00 0.00 70.33 69.33 2gj3 n THR 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2gj3 s THR 78 N -0.87 4.75 0.45 1.09 2.01 -1.22 -4.98 115.64 116.87 2gj3 s THR 78 Ca 0.03 2.02 -0.25 0.00 0.31 0.00 0.00 61.69 63.80 2gj3 s THR 78 Cb 0.02 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 2gj3 s THR 78 CO 0.02 0.18 1.42 -2.65 -0.69 0.00 0.00 174.62 172.90 2gj3 n PRO 79 N 3.70 2.20 -0.12 4.92 -0.02 -1.26 -4.88 135.00 139.55 2gj3 n PRO 79 Ca 0.06 0.79 0.10 0.00 -2.02 0.00 0.00 63.50 62.42 2gj3 n PRO 79 Cb 0.50 -2.61 0.44 0.00 -0.02 0.00 0.00 33.50 31.82 2gj3 n PRO 79 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2gj3 h ARG 80 N 2.24 0.52 0.00 -0.52 2.43 -2.01 -1.06 114.38 115.99 2gj3 h ARG 80 Ca -0.51 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 2gj3 h ARG 80 Cb 1.27 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2gj3 h ARG 80 CO 0.61 0.35 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.28 2gj3 h LEU 81 N 0.54 0.00 0.05 3.80 4.07 -1.98 0.13 115.31 121.91 2gj3 h LEU 81 Ca 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.25 2gj3 h LEU 81 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2gj3 h LEU 81 CO -0.09 0.06 -0.02 0.58 -1.08 0.00 0.00 178.44 177.89 2gj3 h VAL 82 N 0.00 1.16 -0.43 1.22 2.07 -1.55 -2.22 116.25 116.51 2gj3 h VAL 82 Ca -0.00 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 2gj3 h VAL 82 Cb 0.53 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2gj3 h VAL 82 CO 0.01 0.18 -0.00 1.88 0.02 0.00 0.00 177.57 179.65 2gj3 h TYR 83 N -0.38 0.73 -0.79 1.57 0.99 -1.35 -1.63 116.97 116.11 2gj3 h TYR 83 Ca -0.01 -0.09 0.03 0.00 2.00 0.00 0.00 58.73 60.66 2gj3 h TYR 83 Cb 0.34 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 37.82 2gj3 h TYR 83 CO 0.03 0.69 0.52 0.37 -0.00 0.00 0.00 178.16 179.77 2gj3 h GLN 84 N 0.65 0.97 -0.24 4.88 4.15 -0.74 0.32 115.11 125.11 2gj3 h GLN 84 Ca 0.13 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 2gj3 h GLN 84 Cb 0.41 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2gj3 h GLN 84 CO 0.02 0.64 -0.09 0.00 -1.93 0.00 0.00 178.83 177.47 2gj3 h ALA 85 N 1.53 0.34 0.43 3.38 0.00 -0.91 0.89 119.26 124.91 2gj3 h ALA 85 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2gj3 h ALA 85 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2gj3 h ALA 85 CO -0.09 0.17 -0.34 1.25 0.00 0.00 0.00 179.25 180.24 2gj3 h LEU 86 N 0.21 -0.89 -1.66 0.00 6.46 -0.94 -2.28 115.31 116.22 2gj3 h LEU 86 Ca 0.06 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 2gj3 h LEU 86 Cb 0.58 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 2gj3 h LEU 86 CO 0.03 -0.50 -0.19 -0.50 -0.62 0.00 0.00 178.44 176.66 2gj3 h TRP 87 N -0.77 0.00 -0.34 1.25 4.06 -0.91 -2.33 115.95 116.92 2gj3 h TRP 87 Ca -0.04 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 2gj3 h TRP 87 Cb 0.66 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 2gj3 h TRP 87 CO -0.15 0.19 -0.21 0.78 -3.56 0.00 0.00 178.44 175.50 2gj3 h GLY 88 N 0.90 0.69 1.03 1.49 0.00 -0.49 -0.79 103.07 105.90 2gj3 h GLY 88 Ca -0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 47.33 46.59 2gj3 h GLY 88 CO 0.03 0.51 -0.60 3.21 0.00 0.00 0.00 176.54 179.69 2gj3 h ARG 89 N 0.57 0.69 -0.96 4.80 3.08 -1.06 -3.06 114.38 118.43 2gj3 h ARG 89 Ca 0.09 -0.53 0.09 0.00 0.07 0.00 0.00 59.98 59.70 2gj3 h ARG 89 Cb 0.66 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 2gj3 h ARG 89 CO 0.05 1.15 0.62 -0.07 -1.07 0.00 0.00 179.97 180.64 2gj3 h LEU 90 N 0.38 0.92 -1.38 3.04 3.38 -1.09 -0.95 115.31 119.61 2gj3 h LEU 90 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gj3 h LEU 90 Cb 1.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2gj3 h LEU 90 CO 0.13 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2gj3 h ALA 91 N 1.52 1.00 -0.54 1.53 0.00 -1.06 0.17 119.26 121.88 2gj3 h ALA 91 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2gj3 h ALA 91 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2gj3 h ALA 91 CO -0.20 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.09 2gj3 n GLN 92 N -3.06 2.26 -3.14 0.00 1.13 -0.43 -4.94 117.38 109.21 2gj3 n GLN 92 Ca 0.01 -1.96 -0.21 0.00 -1.94 0.00 0.00 57.00 52.89 2gj3 n GLN 92 Cb 0.31 -1.43 0.05 0.00 0.11 0.00 0.00 30.24 29.28 2gj3 n GLN 92 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2gj3 n LYS 93 N 1.10 -5.50 -4.33 -1.09 5.02 0.05 -5.00 118.16 108.41 2gj3 n LYS 93 Ca 0.18 0.83 -0.24 0.00 -2.02 0.00 0.00 58.31 57.06 2gj3 n LYS 93 Cb 0.46 -5.62 -0.12 0.00 -0.02 0.00 0.00 35.03 29.73 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 -5.81 1.24 0.78 1.97 1.02 -0.76 -4.88 119.74 113.29 2gj3 s LYS 94 Ca 0.37 -1.29 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 2gj3 s LYS 94 Cb -0.16 -1.49 0.06 0.00 -0.52 0.00 0.00 37.83 35.72 2gj3 s LYS 94 CO 0.45 0.33 1.08 -1.25 -0.92 0.00 0.00 175.35 175.05 2gj3 s PRO 95 N -2.23 2.24 0.04 -1.68 0.04 -1.26 -3.31 135.00 128.85 2gj3 s PRO 95 Ca 0.11 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 2gj3 s PRO 95 Cb -0.09 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2gj3 s PRO 95 CO 0.06 -1.56 -0.02 -0.46 0.04 0.00 0.00 177.00 175.05 2gj3 s TRP 96 N -3.06 0.43 -0.02 0.56 -0.00 -0.22 -4.81 118.94 111.82 2gj3 s TRP 96 Ca 0.60 -0.89 -0.04 0.00 -0.00 0.00 0.00 56.10 55.77 2gj3 s TRP 96 Cb -0.15 -0.32 0.01 0.00 -0.00 0.00 0.00 33.47 33.00 2gj3 s TRP 96 CO 0.55 -0.33 0.10 -1.12 -0.00 0.00 0.00 176.95 176.15 2gj3 s SER 97 N -2.48 -0.05 0.04 5.86 0.01 -1.26 -0.97 113.70 114.87 2gj3 s SER 97 Ca 0.00 0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.26 2gj3 s SER 97 Cb 0.03 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.47 2gj3 s SER 97 CO -0.07 -0.13 0.24 0.61 0.41 0.00 0.00 173.24 174.30 2gj3 n GLY 98 N 2.57 1.17 3.32 3.44 0.00 -0.31 -5.02 105.19 110.36 2gj3 n GLY 98 Ca -0.16 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.47 2.04 0.09 1.61 -7.23 -1.26 -1.35 120.40 111.83 2gj3 s VAL 99 Ca 0.05 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 2gj3 s VAL 99 Cb -0.01 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 35.23 2gj3 s VAL 99 CO 0.01 0.35 0.42 -1.48 -0.31 0.00 0.00 175.10 174.09 2gj3 s LEU 100 N -1.19 0.32 -0.34 1.32 2.34 -0.43 -4.98 118.68 115.72 2gj3 s LEU 100 Ca 0.11 -0.15 -0.22 0.00 0.06 0.00 0.00 54.13 53.93 2gj3 s LEU 100 Cb -0.10 1.86 0.00 0.00 -0.56 0.00 0.00 46.19 47.39 2gj3 s LEU 100 CO 0.02 -0.78 0.70 -0.69 -1.06 0.00 0.00 176.35 174.54 2gj3 s VAL 101 N -3.22 4.84 0.26 1.48 1.01 -1.26 0.05 120.40 123.57 2gj3 s VAL 101 Ca -0.01 0.83 0.05 0.00 0.00 0.00 0.00 61.98 62.85 2gj3 s VAL 101 Cb 0.01 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2gj3 s VAL 101 CO -0.08 -0.29 0.39 0.20 0.00 0.00 0.00 175.10 175.32 2gj3 s ASN 102 N 1.74 6.24 -0.12 3.32 0.01 -0.23 -4.01 114.94 121.89 2gj3 s ASN 102 Ca 0.28 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 2gj3 s ASN 102 Cb -0.14 -1.73 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 2gj3 s ASN 102 CO 0.14 -0.15 -0.13 -0.60 -1.51 0.00 0.00 177.10 174.85 2gj3 s ARG 103 N -4.03 3.33 0.78 -0.60 3.52 0.11 -0.84 118.95 121.23 2gj3 s ARG 103 Ca 0.36 -0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 55.19 2gj3 s ARG 103 Cb -0.09 -2.62 0.09 0.00 -1.56 0.00 0.00 34.95 30.77 2gj3 s ARG 103 CO 0.30 0.24 1.12 1.03 -0.81 0.00 0.00 175.30 177.18 2gj3 s ARG 104 N 0.27 1.84 0.34 5.12 0.52 0.12 -4.60 118.95 122.56 2gj3 s ARG 104 Ca -0.09 -0.21 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 2gj3 s ARG 104 Cb -0.16 -2.06 0.65 0.00 0.52 0.00 0.00 34.95 33.91 2gj3 s ARG 104 CO 0.05 -1.56 1.94 -0.22 0.02 0.00 0.00 175.30 175.54 2gj3 h LYS 105 N -0.91 0.84 0.00 3.54 3.64 -0.43 0.38 116.57 123.63 2gj3 h LYS 105 Ca -0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2gj3 h LYS 105 Cb 1.31 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2gj3 h LYS 105 CO 0.58 0.56 0.00 -0.40 -2.27 0.00 0.00 179.45 177.91 2gj3 n ASP 106 N -4.48 0.00 0.00 4.20 5.75 -1.26 -4.86 116.55 115.90 2gj3 n ASP 106 Ca 0.12 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 2gj3 n ASP 106 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 2gj3 n ASP 106 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2gj3 n LYS 107 N -0.67 -0.21 -1.32 0.11 -0.00 0.12 -5.04 118.16 111.15 2gj3 n LYS 107 Ca 0.07 0.05 -0.30 0.00 -0.00 0.00 0.00 58.31 58.13 2gj3 n LYS 107 Cb 0.03 -3.29 0.10 0.00 -0.00 0.00 0.00 35.03 31.87 2gj3 n LYS 107 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2gj3 s THR 108 N -2.60 3.18 0.11 0.58 -4.23 -1.26 -4.76 115.64 106.67 2gj3 s THR 108 Ca 0.00 0.38 0.09 0.00 -1.18 0.00 0.00 61.69 60.99 2gj3 s THR 108 Cb 0.00 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 2gj3 s THR 108 CO 0.00 -0.50 -0.24 -0.76 -0.54 0.00 0.00 174.62 172.58 2gj3 s LEU 109 N -5.95 2.30 -0.02 4.79 1.43 -1.26 -0.70 118.68 119.27 2gj3 s LEU 109 Ca 0.61 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2gj3 s LEU 109 Cb -0.17 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.01 2gj3 s LEU 109 CO 0.56 0.12 0.20 -0.72 0.23 0.00 0.00 176.35 176.74 2gj3 s TYR 110 N -1.09 -0.07 -0.27 0.29 1.13 -0.02 -4.98 117.35 112.34 2gj3 s TYR 110 Ca 0.10 0.11 -0.29 0.00 -1.41 0.00 0.00 57.07 55.58 2gj3 s TYR 110 Cb -0.10 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.78 2gj3 s TYR 110 CO 0.05 -0.28 1.21 -1.17 -2.51 0.00 0.00 175.55 172.85 2gj3 s LEU 111 N -1.08 3.98 -0.17 -3.49 2.96 -1.26 -1.06 118.68 118.56 2gj3 s LEU 111 Ca -0.12 1.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.97 2gj3 s LEU 111 Cb -0.06 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2gj3 s LEU 111 CO 0.02 -0.92 0.23 0.00 -1.32 0.00 0.00 176.35 174.36 2gj3 s ALA 112 N 3.89 3.63 -0.37 5.97 0.00 0.11 -0.55 121.76 134.43 2gj3 s ALA 112 Ca 0.52 -0.54 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 2gj3 s ALA 112 Cb -0.17 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2gj3 s ALA 112 CO 0.18 0.13 0.32 -2.00 0.00 0.00 0.00 175.76 174.39 2gj3 s GLU 113 N 0.37 3.29 -0.12 0.00 2.12 -0.23 -1.32 118.70 122.82 2gj3 s GLU 113 Ca 0.14 -0.72 -0.02 0.00 0.36 0.00 0.00 54.97 54.74 2gj3 s GLU 113 Cb -0.12 -3.88 -0.03 0.00 0.26 0.00 0.00 34.13 30.36 2gj3 s GLU 113 CO 0.02 -0.62 -0.07 -1.17 -0.54 0.00 0.00 175.26 172.88 2gj3 s LEU 114 N 1.86 3.10 -0.09 2.70 2.96 -0.46 -1.64 118.68 127.10 2gj3 s LEU 114 Ca 0.08 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2gj3 s LEU 114 Cb -0.18 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2gj3 s LEU 114 CO 0.11 0.23 -0.21 0.42 -1.32 0.00 0.00 176.35 175.58 2gj3 s THR 115 N 0.01 2.38 -0.03 3.68 -4.23 0.43 -1.16 115.64 116.73 2gj3 s THR 115 Ca -0.01 -0.92 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 2gj3 s THR 115 Cb -0.14 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 2gj3 s THR 115 CO 0.03 0.56 -0.22 0.68 -0.54 0.00 0.00 174.62 175.13 2gj3 s VAL 116 N 0.11 1.78 -0.01 2.29 -7.23 -0.14 -0.34 120.40 116.86 2gj3 s VAL 116 Ca -0.10 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2gj3 s VAL 116 Cb -0.16 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2gj3 s VAL 116 CO 0.06 0.50 -0.02 0.00 -0.31 0.00 0.00 175.10 175.33 2gj3 s ALA 117 N -0.39 0.23 0.39 1.32 0.00 -0.40 -1.06 121.76 121.84 2gj3 s ALA 117 Ca 0.05 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 2gj3 s ALA 117 Cb -0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 2gj3 s ALA 117 CO 0.00 0.04 0.99 -1.25 0.00 0.00 0.00 175.76 175.54 2gj3 s PRO 118 N 0.06 4.28 -0.23 0.00 0.04 -1.26 -0.59 135.00 137.31 2gj3 s PRO 118 Ca -0.00 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 2gj3 s PRO 118 Cb -0.02 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 2gj3 s PRO 118 CO -0.00 -0.00 0.21 0.08 0.04 0.00 0.00 177.00 177.33 2gj3 s VAL 119 N -1.82 5.33 -0.01 -0.36 1.01 0.02 -4.90 120.40 119.67 2gj3 s VAL 119 Ca 0.57 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.88 2gj3 s VAL 119 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2gj3 s VAL 119 CO 0.22 0.33 -0.01 -0.76 0.00 0.00 0.00 175.10 174.88 2gj3 s LEU 120 N 1.04 3.47 0.00 3.92 1.43 -1.26 -0.70 118.68 126.58 2gj3 s LEU 120 Ca 0.10 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2gj3 s LEU 120 Cb -0.14 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.25 2gj3 s LEU 120 CO 0.05 0.29 0.88 -0.46 0.23 0.00 0.00 176.35 177.33 2gj3 n ASN 121 N 1.45 0.25 -0.19 2.29 2.04 -0.11 -4.86 115.26 116.12 2gj3 n ASN 121 Ca -0.15 -1.43 0.10 0.00 -0.44 0.00 0.00 54.58 52.66 2gj3 n ASN 121 Cb 0.53 -0.66 0.40 0.00 -2.53 0.00 0.00 39.78 37.52 2gj3 n ASN 121 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2gj3 h GLU 122 N 0.00 0.62 0.00 -3.83 4.81 -2.00 -0.73 114.58 113.45 2gj3 h GLU 122 Ca -0.29 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2gj3 h GLU 122 Cb 0.83 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2gj3 h GLU 122 CO 0.22 0.41 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 2gj3 n ALA 123 N -2.46 2.64 -0.73 2.92 0.00 -1.26 -4.87 120.51 116.75 2gj3 n ALA 123 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2gj3 n ALA 123 Cb 0.36 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 0.93 0.62 3.85 0.00 0.00 -0.28 -5.04 105.19 105.26 2gj3 n GLY 124 Ca 0.23 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.52 3.79 0.14 1.61 2.02 -1.26 -4.80 118.70 119.67 2gj3 s GLU 125 Ca 0.00 0.25 -0.31 0.00 0.02 0.00 0.00 54.97 54.94 2gj3 s GLU 125 Cb 0.00 -3.17 -0.08 0.00 0.10 0.00 0.00 34.13 30.99 2gj3 s GLU 125 CO 0.00 0.68 1.29 0.99 0.02 0.00 0.00 175.26 178.24 2gj3 s THR 126 N -1.14 3.51 0.00 3.63 2.01 -1.26 -0.94 115.64 121.45 2gj3 s THR 126 Ca 0.24 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.39 2gj3 s THR 126 Cb -0.15 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.62 2gj3 s THR 126 CO 0.13 0.13 0.00 2.30 -0.69 0.00 0.00 174.62 176.49 2gj3 n ILE 127 N 3.33 0.00 -4.00 1.82 -5.35 0.12 -4.92 119.36 110.37 2gj3 n ILE 127 Ca 0.08 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.46 2gj3 n ILE 127 Cb 0.44 0.46 -0.06 0.00 -1.74 0.00 0.00 39.64 38.74 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 -1.79 0.41 0.09 4.28 2.02 -1.22 -4.64 117.35 116.50 2gj3 s TYR 128 Ca 0.00 -0.76 0.10 0.00 -0.37 0.00 0.00 57.07 56.04 2gj3 s TYR 128 Cb 0.00 0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.63 2gj3 s TYR 128 CO 0.00 -0.92 -0.26 0.71 -1.57 0.00 0.00 175.55 173.50 2gj3 s TYR 129 N -4.02 2.26 -0.18 2.71 4.12 -0.35 -0.80 117.35 121.10 2gj3 s TYR 129 Ca 0.23 -0.39 -0.06 0.00 0.02 0.00 0.00 57.07 56.86 2gj3 s TYR 129 Cb 0.00 -1.28 -0.04 0.00 -1.52 0.00 0.00 41.96 39.13 2gj3 s TYR 129 CO 0.08 0.24 0.03 -0.51 0.02 0.00 0.00 175.55 175.41 2gj3 s LEU 130 N -1.71 3.64 -0.19 -1.29 1.43 0.25 -0.52 118.68 120.29 2gj3 s LEU 130 Ca 0.12 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2gj3 s LEU 130 Cb -0.10 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 2gj3 s LEU 130 CO 0.04 0.17 -0.11 -0.83 0.23 0.00 0.00 176.35 175.85 2gj3 s GLY 131 N 0.38 1.52 -0.15 -3.19 0.00 0.37 -1.28 107.32 104.98 2gj3 s GLY 131 Ca 0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 2gj3 s GLY 131 CO 0.01 0.27 0.00 1.06 0.00 0.00 0.00 173.10 174.44 2gj3 s MET 132 N 1.21 0.82 0.06 2.90 -1.94 0.54 -0.36 119.30 122.52 2gj3 s MET 132 Ca 0.02 -0.28 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 2gj3 s MET 132 Cb -0.14 -1.73 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 2gj3 s MET 132 CO -0.05 -0.49 -0.06 -3.38 -0.01 0.00 0.00 175.02 171.04 2gj3 s HIS 133 N 1.84 0.62 0.06 -0.03 -3.43 -0.08 -0.42 115.29 113.85 2gj3 s HIS 133 Ca 0.01 -0.73 0.05 0.00 -0.80 0.00 0.00 55.06 53.59 2gj3 s HIS 133 Cb -0.15 -0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 30.57 2gj3 s HIS 133 CO -0.07 -0.18 -0.06 -0.98 -2.00 0.00 0.00 174.74 171.44 2gj3 s ARG 134 N -2.65 2.40 -0.32 -0.38 1.70 -0.65 -1.62 118.95 117.42 2gj3 s ARG 134 Ca -0.02 -0.85 -0.21 0.00 -0.47 0.00 0.00 55.73 54.18 2gj3 s ARG 134 Cb -0.02 -2.44 -0.00 0.00 -0.57 0.00 0.00 34.95 31.92 2gj3 s ARG 134 CO -0.03 0.56 0.68 0.34 -1.08 0.00 0.00 175.30 175.76 2gj3 s ASP 135 N -1.89 6.52 0.00 -2.89 -1.08 -1.26 -1.07 116.67 115.00 2gj3 s ASP 135 Ca 0.20 0.41 0.27 0.00 -0.52 0.00 0.00 52.55 52.92 2gj3 s ASP 135 Cb -0.11 -2.35 1.20 0.00 -1.46 0.00 0.00 42.92 40.19 2gj3 s ASP 135 CO 0.12 -0.56 1.82 0.35 0.52 0.00 0.00 175.17 177.42 2gj3 n THR 136 N 5.50 0.03 -1.77 1.71 -2.24 0.29 -4.91 114.28 112.90 2gj3 n THR 136 Ca 0.00 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 2gj3 n THR 136 Cb 0.49 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.90 5.27 0.00 3.42 1.04 -1.26 -4.93 113.70 115.34 2gj3 s SER 137 Ca 0.39 2.79 0.14 0.00 0.48 0.00 0.00 55.95 59.75 2gj3 s SER 137 Cb 0.20 -2.64 0.32 0.00 0.10 0.00 0.00 66.02 64.00 2gj3 s SER 137 CO 0.32 -1.57 1.22 -0.62 0.98 0.00 0.00 173.24 173.57 2gj3 n GLU 138 N -1.00 2.28 -0.88 4.02 1.02 -1.26 -5.14 120.64 119.68 2gj3 n GLU 138 Ca 0.10 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.28 2gj3 n GLU 138 Cb 0.45 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 2gj3 n GLU 138 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59