#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtj s LYS 2 N 0.00 0.49 -0.21 5.31 2.20 -1.26 -5.12 119.74 121.15 2gtj s LYS 2 Ca 0.00 0.77 0.01 0.00 -0.36 0.00 0.00 55.97 56.40 2gtj s LYS 2 Cb 0.00 0.12 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2gtj s LYS 2 CO 0.00 -0.12 -0.11 0.15 -0.36 0.00 0.00 175.35 174.91 2gtj s LYS 3 N 0.91 2.16 0.10 4.03 1.02 -1.26 -4.98 119.74 121.71 2gtj s LYS 3 Ca -0.05 -0.94 0.16 0.00 0.02 0.00 0.00 55.97 55.16 2gtj s LYS 3 Cb -0.06 -2.52 0.70 0.00 -0.52 0.00 0.00 37.83 35.43 2gtj s LYS 3 CO -0.07 -0.44 1.51 0.39 -0.92 0.00 0.00 175.35 175.82 2gtj n GLU 4 N 4.63 0.07 -2.07 1.68 1.02 -1.26 -4.40 120.64 120.30 2gtj n GLU 4 Ca -0.15 0.35 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 2gtj n GLU 4 Cb 0.46 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.20 2gtj n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2gtj s GLN 5 N -3.12 2.62 -0.06 3.49 1.11 -1.26 -4.93 119.66 117.52 2gtj s GLN 5 Ca 0.05 -0.04 -0.25 0.00 0.01 0.00 0.00 55.36 55.13 2gtj s GLN 5 Cb 0.08 -4.85 -0.03 0.00 -1.01 0.00 0.00 33.01 27.21 2gtj s GLN 5 CO 0.28 -3.11 0.79 0.15 0.01 0.00 0.00 175.29 173.40 2gtj s LYS 6 N 6.93 4.46 -0.53 2.91 1.02 -1.26 -5.00 119.74 128.27 2gtj s LYS 6 Ca 0.68 1.04 -0.24 0.00 0.02 0.00 0.00 55.97 57.47 2gtj s LYS 6 Cb -0.08 -3.46 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2gtj s LYS 6 CO 0.06 -0.00 0.90 -1.21 -0.92 0.00 0.00 175.35 174.18 2gtj s GLU 7 N 0.98 3.34 -0.18 1.68 2.02 -1.26 -4.99 118.70 120.28 2gtj s GLU 7 Ca 0.42 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 55.16 2gtj s GLU 7 Cb -0.19 -4.03 0.04 0.00 0.10 0.00 0.00 34.13 30.05 2gtj s GLU 7 CO 0.20 -1.40 -0.11 0.21 0.02 0.00 0.00 175.26 174.18 2gtj s LYS 8 N 3.76 2.07 0.00 1.61 2.20 -1.26 -5.11 119.74 123.01 2gtj s LYS 8 Ca 0.30 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2gtj s LYS 8 Cb -0.13 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 2gtj s LYS 8 CO 0.20 -0.38 0.00 0.39 -0.36 0.00 0.00 175.35 175.20 2gtj n GLU 9 N 4.71 2.05 -0.33 4.03 4.71 -1.26 -4.93 120.64 129.63 2gtj n GLU 9 Ca -0.15 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.09 2gtj n GLU 9 Cb 0.47 0.00 0.26 0.00 -1.01 0.00 0.00 31.44 31.17 2gtj n GLU 9 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2gtj n LYS 10 N 0.00 2.48 -2.25 3.49 4.76 -1.26 -4.93 118.16 120.44 2gtj n LYS 10 Ca 0.00 -2.14 -0.01 0.00 -2.87 0.00 0.00 58.31 53.29 2gtj n LYS 10 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2gtj n LYS 10 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2gtj n LYS 11 N 1.17 -1.96 0.00 1.97 4.81 -1.26 -4.93 118.16 117.97 2gtj n LYS 11 Ca 0.20 1.79 0.14 0.00 -0.87 0.00 0.00 58.31 59.57 2gtj n LYS 11 Cb 0.53 -3.75 0.58 0.00 0.02 0.00 0.00 35.03 32.41 2gtj n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2gtj n GLU 12 N 0.23 0.03 0.22 1.64 -0.58 -1.26 -2.85 120.64 118.06 2gtj n GLU 12 Ca 0.02 -0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.91 2gtj n GLU 12 Cb 0.07 -1.50 0.61 0.00 -0.57 0.00 0.00 31.44 30.05 2gtj n GLU 12 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2gtj h GLN 13 N 0.01 0.00 0.00 3.49 7.50 -2.02 -2.48 115.11 121.61 2gtj h GLN 13 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2gtj h GLN 13 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 2gtj h GLN 13 CO 0.00 0.00 0.00 0.93 -1.50 0.00 0.00 178.83 178.26 2gtj h GLU 14 N 0.00 0.00 0.00 1.46 4.39 -1.89 -2.99 114.58 115.55 2gtj h GLU 14 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2gtj h GLU 14 Cb 0.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2gtj h GLU 14 CO 0.00 0.00 -0.65 -0.84 -1.16 0.00 0.00 179.01 176.36 2gtj h ILE 15 N 0.00 1.17 0.20 3.13 -0.00 -1.68 -3.25 117.51 117.09 2gtj h ILE 15 Ca 0.00 -2.51 0.01 0.00 -0.00 0.00 0.00 64.86 62.36 2gtj h ILE 15 Cb 0.54 2.48 -0.03 0.00 -0.00 0.00 0.00 36.82 39.81 2gtj h ILE 15 CO 0.00 0.64 -0.30 0.11 -0.00 0.00 0.00 178.15 178.60 2gtj h LYS 16 N 0.00 -0.56 -0.13 0.16 1.57 -1.69 -1.20 116.57 114.72 2gtj h LYS 16 Ca -0.01 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2gtj h LYS 16 Cb 1.43 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.87 2gtj h LYS 16 CO 0.08 -0.37 0.00 1.63 -0.57 0.00 0.00 179.45 180.22 2gtj n LYS 17 N -5.41 1.57 -0.11 3.15 5.02 -1.25 -1.36 118.16 119.77 2gtj n LYS 17 Ca -0.08 -0.86 -0.20 0.00 -2.02 0.00 0.00 58.31 55.15 2gtj n LYS 17 Cb 0.32 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 2gtj n LYS 17 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2gtj n LYS 18 N 0.09 0.55 0.04 1.97 3.00 -0.69 -4.52 118.16 118.60 2gtj n LYS 18 Ca 0.15 0.42 0.02 0.00 -0.00 0.00 0.00 58.31 58.90 2gtj n LYS 18 Cb 0.27 -1.62 -0.07 0.00 0.00 0.00 0.00 35.03 33.62 2gtj n LYS 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2gtj n PHE 19 N -4.41 0.97 -2.09 5.64 -0.00 -0.54 -4.80 117.46 112.24 2gtj n PHE 19 Ca -0.33 0.32 -0.01 0.00 -0.00 0.00 0.00 57.45 57.43 2gtj n PHE 19 Cb 0.65 -1.07 0.00 0.00 -0.00 0.00 0.00 39.48 39.07 2gtj n PHE 19 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2gtj n LYS 20 N -2.85 -1.47 -0.12 -4.13 4.81 -0.46 -4.41 118.16 109.53 2gtj n LYS 20 Ca -0.08 1.47 -0.23 0.00 -0.87 0.00 0.00 58.31 58.61 2gtj n LYS 20 Cb 0.79 -3.18 -0.08 0.00 0.02 0.00 0.00 35.03 32.58 2gtj n LYS 20 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2gtj n LEU 21 N 0.09 1.94 -2.83 3.14 7.99 -1.20 -4.87 117.00 121.27 2gtj n LEU 21 Ca 0.02 0.35 -0.01 0.00 -0.01 0.00 0.00 56.01 56.36 2gtj n LEU 21 Cb 0.07 -0.81 -0.01 0.00 -0.11 0.00 0.00 43.42 42.57 2gtj n LEU 21 CO 0.21 0.28 -0.50 0.35 -1.51 0.00 0.00 177.39 176.22 2gtj n THR 22 N -4.33 -9.53 0.00 -5.08 -2.24 -1.26 -4.97 114.28 86.87 2gtj n THR 22 Ca -0.40 1.60 0.00 0.00 -2.27 0.00 0.00 64.05 62.98 2gtj n THR 22 Cb 0.75 -5.85 0.00 0.00 -2.10 0.00 0.00 70.33 63.13 2gtj n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gtj n GLY 23 N 1.04 2.46 3.73 3.38 0.00 -1.26 -5.01 105.19 109.53 2gtj n GLY 23 Ca -0.05 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2gtj n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gtj s PRO 24 N -5.06 4.35 0.13 1.61 0.04 -1.26 -5.02 135.00 129.79 2gtj s PRO 24 Ca 0.00 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.21 2gtj s PRO 24 Cb 0.00 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2gtj s PRO 24 CO 0.00 -0.34 -0.19 -1.50 0.04 0.00 0.00 177.00 175.01 2gtj s ILE 25 N 0.45 1.68 0.71 0.56 2.07 -1.26 -5.14 121.20 120.28 2gtj s ILE 25 Ca 0.60 -1.69 -0.06 0.00 -1.41 0.00 0.00 60.65 58.09 2gtj s ILE 25 Cb -0.37 -1.64 0.08 0.00 0.13 0.00 0.00 42.46 40.66 2gtj s ILE 25 CO 0.36 -0.20 1.01 0.00 -1.91 0.00 0.00 174.94 174.19 2gtj s GLN 26 N -2.31 2.04 0.09 3.50 -2.07 -1.26 -5.01 119.66 114.63 2gtj s GLN 26 Ca 0.10 -0.46 -0.31 0.00 -1.82 0.00 0.00 55.36 52.87 2gtj s GLN 26 Cb -0.08 -2.21 -0.07 0.00 -1.09 0.00 0.00 33.01 29.57 2gtj s GLN 26 CO 0.05 -1.30 1.29 0.54 -1.32 0.00 0.00 175.29 174.55 2gtj s VAL 27 N -3.22 3.68 -0.02 3.63 0.11 -1.26 -4.72 120.40 118.59 2gtj s VAL 27 Ca 0.62 1.21 -0.13 0.00 -2.93 0.00 0.00 61.98 60.75 2gtj s VAL 27 Cb -0.09 -3.78 -0.32 0.00 -1.53 0.00 0.00 36.38 30.65 2gtj s VAL 27 CO 0.44 0.10 0.78 0.40 -3.33 0.00 0.00 175.10 173.49 2gtj h ILE 28 N 4.37 1.07 -2.93 7.04 1.08 -0.89 -3.49 117.51 123.77 2gtj h ILE 28 Ca -0.42 -2.57 0.06 0.00 -0.39 0.00 0.00 64.86 61.54 2gtj h ILE 28 Cb 1.21 2.87 -0.07 0.00 -3.07 0.00 0.00 36.82 37.76 2gtj h ILE 28 CO 0.83 0.83 0.25 -1.00 -0.69 0.00 0.00 178.15 178.38 2gtj s HIS 29 N -2.58 -0.26 -0.25 1.37 3.76 -1.18 -5.00 115.29 111.16 2gtj s HIS 29 Ca -0.14 -0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 54.57 2gtj s HIS 29 Cb 0.05 0.67 -0.03 0.00 1.11 0.00 0.00 32.58 34.38 2gtj s HIS 29 CO 0.88 -1.11 0.07 -0.51 -0.85 0.00 0.00 174.74 173.22 2gtj s LEU 30 N -2.88 3.46 0.12 0.89 2.01 -1.26 -0.35 118.68 120.66 2gtj s LEU 30 Ca 0.09 -0.19 -0.01 0.00 0.01 0.00 0.00 54.13 54.02 2gtj s LEU 30 Cb -0.05 -1.92 -0.04 0.00 0.01 0.00 0.00 46.19 44.19 2gtj s LEU 30 CO 0.02 -0.02 0.29 0.00 1.01 0.00 0.00 176.35 177.65 2gtj s ALA 31 N 1.56 3.92 -0.12 4.21 0.00 0.14 -1.00 121.76 130.46 2gtj s ALA 31 Ca 0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 2gtj s ALA 31 Cb -0.15 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2gtj s ALA 31 CO 0.04 0.69 -0.01 0.21 0.00 0.00 0.00 175.76 176.68 2gtj s LYS 32 N -2.77 3.31 -0.21 0.00 2.20 0.12 0.64 119.74 123.03 2gtj s LYS 32 Ca 0.37 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.24 2gtj s LYS 32 Cb -0.12 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2gtj s LYS 32 CO 0.27 0.49 1.91 0.00 -0.36 0.00 0.00 175.35 177.66 2gtj s ALA 33 N -0.31 3.04 -0.83 3.13 0.00 -1.26 -0.98 121.76 124.55 2gtj s ALA 33 Ca 0.06 0.64 0.26 0.00 0.00 0.00 0.00 51.96 52.91 2gtj s ALA 33 Cb -0.12 -3.96 0.63 0.00 0.00 0.00 0.00 23.12 19.66 2gtj s ALA 33 CO 0.02 -2.34 1.53 0.00 0.00 0.00 0.00 175.76 174.97 2gtj s ASP 36 N -2.23 6.10 0.31 0.00 -4.77 -1.26 -3.62 116.67 111.21 2gtj s ASP 36 Ca -0.03 -0.60 0.09 0.00 -3.30 0.00 0.00 52.55 48.71 2gtj s ASP 36 Cb 0.00 -2.16 -0.05 0.00 -1.09 0.00 0.00 42.92 39.62 2gtj s ASP 36 CO -0.05 -0.36 0.02 0.54 0.70 0.00 0.00 175.17 176.02 2gtj s VAL 37 N 1.77 2.95 -0.10 2.11 0.11 -0.84 -4.92 120.40 121.48 2gtj s VAL 37 Ca 0.07 -1.93 0.14 0.00 -2.93 0.00 0.00 61.98 57.33 2gtj s VAL 37 Cb -0.18 -2.81 0.24 0.00 -1.53 0.00 0.00 36.38 32.10 2gtj s VAL 37 CO 0.11 -0.26 1.12 2.29 -3.33 0.00 0.00 175.10 175.03 2gtj n LYS 38 N -0.95 0.95 -1.11 1.54 2.85 -1.26 -1.80 118.16 118.38 2gtj n LYS 38 Ca -0.05 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 54.96 2gtj n LYS 38 Cb 0.61 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.78 2gtj n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2gtj n GLY 39 N -0.98 0.90 3.84 2.58 0.00 -1.10 -4.66 105.19 105.76 2gtj n GLY 39 Ca 0.12 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2gtj n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gtj s GLY 40 N -2.72 2.28 -1.07 -0.02 0.00 -1.26 -4.12 107.32 100.40 2gtj s GLY 40 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 2gtj s GLY 40 CO 0.00 -0.07 0.28 1.17 0.00 0.00 0.00 173.10 174.48 2gtj n LYS 41 N 2.15 -2.61 -2.69 2.90 4.81 -1.26 -3.75 118.16 117.71 2gtj n LYS 41 Ca -0.17 0.62 -0.04 0.00 -0.87 0.00 0.00 58.31 57.86 2gtj n LYS 41 Cb 0.54 -4.86 0.00 0.00 0.02 0.00 0.00 35.03 30.74 2gtj n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2gtj n ASN 42 N -0.93 -7.57 -2.32 3.14 3.02 -1.26 -5.08 115.26 104.26 2gtj n ASN 42 Ca -0.10 0.90 -0.11 0.00 -0.03 0.00 0.00 54.58 55.24 2gtj n ASN 42 Cb 0.59 -5.06 -0.04 0.00 -0.61 0.00 0.00 39.78 34.66 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2gtj n GLU 43 N 0.15 0.33 -3.70 3.52 2.13 -1.25 -4.52 120.64 117.31 2gtj n GLU 43 Ca 0.06 -1.81 -0.29 0.00 0.66 0.00 0.00 57.16 55.79 2gtj n GLU 43 Cb 0.22 1.37 -0.04 0.00 0.27 0.00 0.00 31.44 33.27 2gtj n GLU 43 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2gtj s LEU 44 N 0.00 4.24 -0.21 4.31 0.20 -1.23 -4.45 118.68 121.54 2gtj s LEU 44 Ca 0.19 0.44 -0.07 0.00 0.69 0.00 0.00 54.13 55.39 2gtj s LEU 44 Cb 0.01 -3.19 -0.03 0.00 -0.43 0.00 0.00 46.19 42.54 2gtj s LEU 44 CO 0.14 -0.01 0.05 -0.94 -0.29 0.00 0.00 176.35 175.30 2gtj s SER 45 N -2.95 5.23 0.23 3.68 1.04 -1.26 -2.72 113.70 116.95 2gtj s SER 45 Ca 0.39 -0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.52 2gtj s SER 45 Cb -0.11 -1.91 0.03 0.00 0.10 0.00 0.00 66.02 64.12 2gtj s SER 45 CO 0.28 0.07 0.62 0.72 0.98 0.00 0.00 173.24 175.91 2gtj s PHE 46 N 1.00 -0.17 0.06 5.02 -0.12 -0.75 -4.98 117.98 118.05 2gtj s PHE 46 Ca 0.03 -0.21 0.06 0.00 -0.05 0.00 0.00 56.93 56.76 2gtj s PHE 46 Cb -0.14 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 2gtj s PHE 46 CO 0.03 -1.06 -0.10 0.15 -0.05 0.00 0.00 175.22 174.19 2gtj s LYS 47 N -3.89 2.28 -0.04 1.99 -0.14 -1.26 -1.99 119.74 116.69 2gtj s LYS 47 Ca 0.10 -0.90 -0.36 0.00 -1.36 0.00 0.00 55.97 53.45 2gtj s LYS 47 Cb -0.03 -2.36 -0.14 0.00 -1.68 0.00 0.00 37.83 33.61 2gtj s LYS 47 CO 0.01 0.55 1.68 0.94 -0.76 0.00 0.00 175.35 177.77 2gtj n GLN 48 N 1.15 1.75 -0.82 1.68 7.27 -1.24 -0.98 117.38 126.19 2gtj n GLN 48 Ca -0.14 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.56 2gtj n GLN 48 Cb 0.52 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 30.78 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gtj n GLY 49 N 3.78 0.56 0.25 1.69 0.00 0.70 -4.94 105.19 107.23 2gtj n GLY 49 Ca 0.21 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 2gtj n GLY 49 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gtj h GLU 50 N 0.99 0.89 -0.63 1.61 4.81 -1.30 -3.46 114.58 117.48 2gtj h GLU 50 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2gtj h GLU 50 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2gtj h GLU 50 CO 0.00 1.18 0.00 0.94 -0.73 0.00 0.00 179.01 180.40 2gtj n GLN 51 N -4.02 0.00 -4.47 1.92 7.27 -1.26 -4.99 117.38 111.83 2gtj n GLN 51 Ca -0.04 0.19 -0.24 0.00 0.07 0.00 0.00 57.00 56.98 2gtj n GLN 51 Cb 0.61 -0.13 -0.10 0.00 2.41 0.00 0.00 30.24 33.03 2gtj n GLN 51 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2gtj s ILE 52 N 0.00 2.43 0.00 1.69 1.01 0.21 -4.64 121.20 121.90 2gtj s ILE 52 Ca 0.00 -2.38 0.06 0.00 0.00 0.00 0.00 60.65 58.33 2gtj s ILE 52 Cb 0.00 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2gtj s ILE 52 CO 0.00 -0.39 -0.18 -1.61 0.00 0.00 0.00 174.94 172.76 2gtj s GLU 53 N -3.52 2.21 -0.21 2.79 2.02 0.32 0.23 118.70 122.54 2gtj s GLU 53 Ca 0.30 -0.88 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 2gtj s GLU 53 Cb -0.04 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2gtj s GLU 53 CO 0.15 0.57 0.10 -1.50 0.02 0.00 0.00 175.26 174.60 2gtj s ILE 54 N -0.81 4.98 -0.14 -1.63 1.10 0.53 -0.18 121.20 125.05 2gtj s ILE 54 Ca 0.13 0.04 -0.07 0.00 -0.51 0.00 0.00 60.65 60.24 2gtj s ILE 54 Cb -0.10 -3.28 -0.06 0.00 0.15 0.00 0.00 42.46 39.16 2gtj s ILE 54 CO 0.03 0.41 -0.18 2.30 -2.11 0.00 0.00 174.94 175.39 2gtj n ILE 55 N 3.87 0.78 -4.81 2.00 -0.00 -0.44 -0.25 119.36 120.50 2gtj n ILE 55 Ca -0.16 -0.21 -0.25 0.00 -0.00 0.00 0.00 62.75 62.14 2gtj n ILE 55 Cb 0.52 -1.64 -0.15 0.00 -0.00 0.00 0.00 39.64 38.37 2gtj n ILE 55 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2gtj s ARG 56 N -2.26 1.41 0.00 6.28 3.52 -1.22 -4.65 118.95 122.03 2gtj s ARG 56 Ca -0.20 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 2gtj s ARG 56 Cb 0.07 -1.37 0.00 0.00 -1.56 0.00 0.00 34.95 32.09 2gtj s ARG 56 CO 0.26 0.37 0.00 0.44 -0.81 0.00 0.00 175.30 175.56 2gtj n ILE 57 N 2.57 0.00 -4.40 4.11 -0.00 -1.26 -0.26 119.36 120.12 2gtj n ILE 57 Ca -0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.34 2gtj n ILE 57 Cb 0.54 -0.35 -0.09 0.00 -0.00 0.00 0.00 39.64 39.73 2gtj n ILE 57 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2gtj s THR 58 N -1.56 2.22 -0.86 7.28 -4.23 -1.26 -4.77 115.64 112.46 2gtj s THR 58 Ca 0.00 -1.90 -0.03 0.00 -1.18 0.00 0.00 61.69 58.58 2gtj s THR 58 Cb 0.00 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 2gtj s THR 58 CO 0.00 -0.04 0.78 -0.67 -0.54 0.00 0.00 174.62 174.15 2gtj n ASP 59 N -1.05 -7.18 -3.96 3.99 2.03 -1.26 -5.06 116.55 104.06 2gtj n ASP 59 Ca -0.03 -0.35 -0.14 0.00 0.52 0.00 0.00 54.79 54.79 2gtj n ASP 59 Cb 0.65 -5.18 -0.09 0.00 -0.72 0.00 0.00 41.12 35.78 2gtj n ASP 59 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2gtj s ASN 60 N -3.16 0.52 -0.05 1.67 2.20 -1.26 -4.90 114.94 109.96 2gtj s ASN 60 Ca 0.20 -1.46 0.15 0.00 -0.94 0.00 0.00 52.86 50.81 2gtj s ASN 60 Cb -0.03 0.44 0.51 0.00 -2.00 0.00 0.00 41.25 40.18 2gtj s ASN 60 CO 0.73 -0.92 1.40 -0.81 -2.94 0.00 0.00 177.10 174.56 2gtj n PRO 61 N -0.37 2.74 0.00 3.55 -0.04 -1.26 -4.72 135.00 134.90 2gtj n PRO 61 Ca 0.03 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 2gtj n PRO 61 Cb 0.65 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2gtj n PRO 61 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2gtj n GLU 62 N 0.89 0.00 0.00 0.54 0.00 -1.26 -5.06 120.64 115.76 2gtj n GLU 62 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.35 2gtj n GLU 62 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 2gtj n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2gtj n GLY 63 N 1.92 1.11 3.63 8.31 0.00 -1.26 -5.13 105.19 113.77 2gtj n GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2gtj n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtj s LYS 64 N 0.00 0.60 0.36 1.61 -2.85 -1.26 -4.88 119.74 113.32 2gtj s LYS 64 Ca 0.00 1.29 0.07 0.00 -1.00 0.00 0.00 55.97 56.33 2gtj s LYS 64 Cb 0.00 -1.70 -0.01 0.00 -2.06 0.00 0.00 37.83 34.06 2gtj s LYS 64 CO 0.00 -2.83 0.43 -1.58 0.10 0.00 0.00 175.35 171.47 2gtj s TRP 65 N -2.64 2.96 -0.33 1.78 0.51 0.35 -4.85 118.94 116.72 2gtj s TRP 65 Ca 0.67 -0.30 -0.04 0.00 -2.12 0.00 0.00 56.10 54.31 2gtj s TRP 65 Cb -0.23 -2.04 0.06 0.00 -0.81 0.00 0.00 33.47 30.46 2gtj s TRP 65 CO 0.60 -0.05 0.07 -1.17 -0.51 0.00 0.00 176.95 175.89 2gtj s LEU 66 N -4.16 4.29 0.28 2.99 2.96 0.64 -0.22 118.68 125.46 2gtj s LEU 66 Ca 0.46 -1.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.10 2gtj s LEU 66 Cb -0.08 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2gtj s LEU 66 CO 0.30 -0.34 0.00 -0.83 -1.32 0.00 0.00 176.35 174.17 2gtj s GLY 67 N 1.42 1.71 0.00 7.98 0.00 -1.24 -1.33 107.32 115.87 2gtj s GLY 67 Ca -0.02 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 43.03 2gtj s GLY 67 CO -0.00 -1.74 -0.06 -1.60 0.00 0.00 0.00 173.10 169.69 2gtj s ARG 68 N -3.69 0.51 0.37 2.90 3.52 0.75 -2.04 118.95 121.27 2gtj s ARG 68 Ca 0.32 -0.29 0.07 0.00 -0.13 0.00 0.00 55.73 55.71 2gtj s ARG 68 Cb -0.06 -0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 32.86 2gtj s ARG 68 CO 0.20 0.12 0.47 0.95 -0.81 0.00 0.00 175.30 176.24 2gtj s THR 69 N -0.29 3.52 0.59 4.11 -4.23 -1.05 -0.52 115.64 117.77 2gtj s THR 69 Ca 0.01 -1.07 0.29 0.00 -1.18 0.00 0.00 61.69 59.74 2gtj s THR 69 Cb -0.03 -3.21 0.36 0.00 1.34 0.00 0.00 72.50 70.96 2gtj s THR 69 CO -0.00 -0.09 2.05 0.00 -0.54 0.00 0.00 174.62 176.03 2gtj h ALA 70 N 0.86 1.85 0.00 3.99 0.00 -1.93 0.32 119.26 124.35 2gtj h ALA 70 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2gtj h ALA 70 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2gtj h ALA 70 CO 0.51 -0.39 0.00 -0.09 0.00 0.00 0.00 179.25 179.28 2gtj h ARG 71 N 0.00 0.00 -2.41 0.00 1.12 -1.99 -3.48 114.38 107.62 2gtj h ARG 71 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2gtj h ARG 71 Cb 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.62 2gtj h ARG 71 CO -0.00 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.27 2gtj n GLY 72 N 0.88 -1.60 3.24 2.80 0.00 0.11 -5.09 105.19 105.53 2gtj n GLY 72 Ca 0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2gtj n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gtj s SER 73 N -0.30 -0.33 -0.91 1.61 0.01 -1.26 -4.93 113.70 107.59 2gtj s SER 73 Ca 0.00 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.14 2gtj s SER 73 Cb 0.00 0.98 0.26 0.00 0.21 0.00 0.00 66.02 67.48 2gtj s SER 73 CO 0.00 -0.21 1.05 -1.22 0.41 0.00 0.00 173.24 173.27 2gtj n TYR 74 N 4.81 3.45 -3.03 2.43 4.02 -1.25 -2.52 117.16 125.06 2gtj n TYR 74 Ca -0.16 -3.57 -0.44 0.00 -0.01 0.00 0.00 57.90 53.72 2gtj n TYR 74 Cb 0.52 -1.07 -0.04 0.00 -0.02 0.00 0.00 39.34 38.74 2gtj n TYR 74 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2gtj s GLY 75 N -1.25 1.75 -0.92 2.72 0.00 -0.86 -4.84 107.32 103.92 2gtj s GLY 75 Ca 0.32 -2.29 -0.24 0.00 0.00 0.00 0.00 44.72 42.51 2gtj s GLY 75 CO -0.01 1.76 2.48 1.58 0.00 0.00 0.00 173.10 178.92 2gtj n TYR 76 N 6.58 0.56 -2.65 1.90 0.18 -1.26 -3.56 117.16 118.90 2gtj n TYR 76 Ca -0.01 0.21 -0.37 0.00 1.88 0.00 0.00 57.90 59.61 2gtj n TYR 76 Cb 0.45 -1.89 -0.05 0.00 -0.38 0.00 0.00 39.34 37.47 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 2gtj s ILE 77 N 7.26 3.93 -0.27 -3.48 -4.36 0.70 -4.45 121.20 120.54 2gtj s ILE 77 Ca 1.27 1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 62.93 2gtj s ILE 77 Cb -0.92 -3.85 0.01 0.00 1.25 0.00 0.00 42.46 38.95 2gtj s ILE 77 CO 0.45 0.09 1.06 -1.59 0.24 0.00 0.00 174.94 175.19 2gtj s LYS 78 N -2.22 4.17 0.31 0.37 -2.85 -1.26 -0.50 119.74 117.76 2gtj s LYS 78 Ca 0.53 1.23 0.19 0.00 -1.00 0.00 0.00 55.97 56.92 2gtj s LYS 78 Cb -0.21 -3.68 1.10 0.00 -2.06 0.00 0.00 37.83 32.97 2gtj s LYS 78 CO 0.27 -0.75 1.25 0.25 0.10 0.00 0.00 175.35 176.46 2gtj n THR 79 N 5.57 -0.30 0.92 3.79 -2.24 -1.26 0.01 114.28 120.76 2gtj n THR 79 Ca 0.12 1.57 0.08 0.00 -2.27 0.00 0.00 64.05 63.54 2gtj n THR 79 Cb 0.46 -2.55 0.45 0.00 -2.10 0.00 0.00 70.33 66.59 2gtj n THR 79 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2gtj n THR 80 N -4.67 0.14 0.89 4.28 5.66 -1.26 -1.83 114.28 117.49 2gtj n THR 80 Ca 0.31 0.04 0.09 0.00 -3.05 0.00 0.00 64.05 61.43 2gtj n THR 80 Cb 1.07 -0.79 -0.08 0.00 -1.55 0.00 0.00 70.33 68.99 2gtj n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gtj n ALA 81 N -1.07 4.16 -2.21 1.79 0.00 0.10 -4.80 120.51 118.47 2gtj n ALA 81 Ca 0.11 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 2gtj n ALA 81 Cb 0.07 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 2gtj n ALA 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gtj s VAL 82 N -2.62 0.40 -0.12 0.00 -7.23 -0.76 -0.15 120.40 109.92 2gtj s VAL 82 Ca 0.10 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.31 2gtj s VAL 82 Cb 0.15 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.93 2gtj s VAL 82 CO 0.70 -0.38 -0.07 -1.61 -0.31 0.00 0.00 175.10 173.42 2gtj s GLU 83 N -4.00 1.52 0.49 4.82 2.02 -0.15 -4.74 118.70 118.67 2gtj s GLU 83 Ca 0.27 -0.28 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 2gtj s GLU 83 Cb 0.07 -1.63 -0.01 0.00 0.10 0.00 0.00 34.13 32.66 2gtj s GLU 83 CO 0.05 -0.28 0.76 0.96 0.02 0.00 0.00 175.26 176.77 2gtj s ILE 84 N 1.70 4.30 0.08 -1.63 -4.36 -1.26 0.11 121.20 120.14 2gtj s ILE 84 Ca 0.05 -0.14 -0.21 0.00 -0.26 0.00 0.00 60.65 60.08 2gtj s ILE 84 Cb -0.13 -3.63 -0.07 0.00 1.25 0.00 0.00 42.46 39.88 2gtj s ILE 84 CO -0.08 -0.55 0.63 -0.62 0.24 0.00 0.00 174.94 174.56 2gtj s ASP 85 N -4.19 7.14 0.42 4.36 2.15 -0.17 -4.90 116.67 121.48 2gtj s ASP 85 Ca 0.49 1.35 0.08 0.00 0.43 0.00 0.00 52.55 54.90 2gtj s ASP 85 Cb -0.10 -2.40 -0.01 0.00 -0.30 0.00 0.00 42.92 40.11 2gtj s ASP 85 CO 0.42 0.22 0.42 -0.31 -0.17 0.00 0.00 175.17 175.75 2gtj s TYR 86 N -0.93 2.69 -0.11 -5.34 2.02 -1.26 -4.62 117.35 109.80 2gtj s TYR 86 Ca 0.31 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.58 2gtj s TYR 86 Cb -0.20 -2.21 -0.10 0.00 -0.40 0.00 0.00 41.96 39.05 2gtj s TYR 86 CO 0.21 -0.20 -0.04 -0.25 -1.57 0.00 0.00 175.55 173.70 2gtj n ASP 87 N -1.62 2.82 -2.18 2.29 8.00 -1.26 -4.65 116.55 119.96 2gtj n ASP 87 Ca 0.04 -0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.23 2gtj n ASP 87 Cb 0.61 0.27 0.11 0.00 -0.02 0.00 0.00 41.12 42.09 2gtj n ASP 87 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2gtj n SER 88 N -2.61 5.91 -0.97 -2.24 7.64 -1.26 -4.60 113.62 115.50 2gtj n SER 88 Ca -0.19 -3.74 0.03 0.00 1.01 0.00 0.00 58.87 55.98 2gtj n SER 88 Cb 0.78 -0.85 0.15 0.00 -1.01 0.00 0.00 64.21 63.27 2gtj n SER 88 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2gtj n LEU 89 N -0.98 2.63 0.24 -3.43 7.94 -1.26 -3.94 117.00 118.20 2gtj n LEU 89 Ca 0.58 -1.33 0.07 0.00 -1.11 0.00 0.00 56.01 54.22 2gtj n LEU 89 Cb 1.01 -0.53 0.59 0.00 0.53 0.00 0.00 43.42 45.02 2gtj n LEU 89 CO 0.66 0.39 0.99 0.50 -1.11 0.00 0.00 177.39 178.82 2gtj h LYS 90 N 1.50 0.00 -5.76 1.96 1.63 -1.98 -3.39 116.57 110.54 2gtj h LYS 90 Ca 0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 2gtj h LYS 90 Cb 0.98 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.52 2gtj h LYS 90 CO 0.17 0.09 0.34 -0.51 -3.45 0.00 0.00 179.45 176.08 2gtj s LEU 91 N -8.79 4.11 -0.43 5.20 1.02 -1.25 -5.00 118.68 113.55 2gtj s LEU 91 Ca -0.04 0.98 -0.29 0.00 0.02 0.00 0.00 54.13 54.80 2gtj s LEU 91 Cb 0.16 -3.09 0.03 0.00 0.02 0.00 0.00 46.19 43.30 2gtj s LEU 91 CO 0.68 -0.42 1.11 -0.54 0.02 0.00 0.00 176.35 177.20 2gtj s LYS 92 N 2.45 3.83 -0.03 1.70 1.02 -1.26 -4.94 119.74 122.50 2gtj s LYS 92 Ca 0.33 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 2gtj s LYS 92 Cb -0.16 -3.85 0.10 0.00 -0.52 0.00 0.00 37.83 33.40 2gtj s LYS 92 CO 0.09 -1.22 0.84 -1.59 -0.92 0.00 0.00 175.35 172.55 2gtj s LYS 93 N 4.19 0.86 0.00 1.68 0.00 -1.26 -5.12 119.74 120.09 2gtj s LYS 93 Ca 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 55.97 56.33 2gtj s LYS 93 Cb -0.09 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.14 2gtj s LYS 93 CO 0.26 -0.33 0.00 -3.47 0.00 0.00 0.00 175.35 171.81 2gtj n ASP 94 N 0.20 0.00 -3.62 0.03 2.03 -1.26 -5.09 116.55 108.83 2gtj n ASP 94 Ca -0.12 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.18 2gtj n ASP 94 Cb 0.60 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.96 2gtj n ASP 94 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2gtj s LEU 95 N -4.64 -1.13 0.00 -2.67 2.96 -1.26 -5.28 118.68 106.66 2gtj s LEU 95 Ca 0.00 1.50 0.00 0.00 -0.22 0.00 0.00 54.13 55.41 2gtj s LEU 95 Cb 0.00 2.24 0.00 0.00 0.50 0.00 0.00 46.19 48.93 2gtj s LEU 95 CO 0.00 -0.22 0.31 1.21 -1.32 0.00 0.00 176.35 176.33