#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtj n LYS 2 N 0.00 -1.60 -3.68 3.49 3.00 -1.26 -4.99 118.16 113.12 2gtj n LYS 2 Ca 0.00 1.61 -0.37 0.00 -0.00 0.00 0.00 58.31 59.55 2gtj n LYS 2 Cb 0.00 -4.73 -0.09 0.00 0.00 0.00 0.00 35.03 30.21 2gtj n LYS 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2gtj s LYS 3 N -2.45 2.69 -0.29 1.64 -0.14 -1.26 -5.02 119.74 114.91 2gtj s LYS 3 Ca 0.14 -2.56 -0.05 0.00 -1.36 0.00 0.00 55.97 52.14 2gtj s LYS 3 Cb -0.04 -3.80 0.02 0.00 -1.68 0.00 0.00 37.83 32.33 2gtj s LYS 3 CO 0.59 -1.19 0.05 -2.00 -0.76 0.00 0.00 175.35 172.04 2gtj s GLU 4 N -0.10 2.89 -0.05 1.68 -6.30 -1.26 -4.95 118.70 110.60 2gtj s GLU 4 Ca 0.17 -0.98 0.08 0.00 -2.50 0.00 0.00 54.97 51.74 2gtj s GLU 4 Cb -0.19 -3.29 0.12 0.00 0.00 0.00 0.00 34.13 30.77 2gtj s GLU 4 CO -0.04 -0.49 1.01 1.04 0.02 0.00 0.00 175.26 176.80 2gtj n GLN 5 N 4.79 1.57 -0.01 4.30 1.13 -1.26 -4.79 117.38 123.12 2gtj n GLN 5 Ca -0.14 -1.77 -0.01 0.00 -1.94 0.00 0.00 57.00 53.14 2gtj n GLN 5 Cb 0.47 -1.08 -0.01 0.00 0.11 0.00 0.00 30.24 29.72 2gtj n GLN 5 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2gtj n LYS 6 N -0.76 0.97 -3.18 -1.09 5.02 -1.26 -4.97 118.16 112.89 2gtj n LYS 6 Ca 0.07 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 2gtj n LYS 6 Cb 0.50 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 34.39 2gtj n LYS 6 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2gtj s GLU 7 N -2.04 3.62 -0.41 1.97 -6.30 -1.26 -4.89 118.70 109.39 2gtj s GLU 7 Ca -0.02 -0.09 0.08 0.00 -2.50 0.00 0.00 54.97 52.43 2gtj s GLU 7 Cb 0.01 -3.82 0.26 0.00 0.00 0.00 0.00 34.13 30.58 2gtj s GLU 7 CO 0.05 -0.70 0.63 0.36 0.02 0.00 0.00 175.26 175.62 2gtj n LYS 8 N 5.89 0.76 0.01 4.30 0.00 -1.26 -5.00 118.16 122.86 2gtj n LYS 8 Ca -0.03 -2.92 0.11 0.00 -0.00 0.00 0.00 58.31 55.47 2gtj n LYS 8 Cb 0.49 -1.30 0.55 0.00 -0.00 0.00 0.00 35.03 34.76 2gtj n LYS 8 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2gtj h GLU 9 N 3.88 0.28 -6.33 -1.58 4.11 -2.05 -3.44 114.58 109.45 2gtj h GLU 9 Ca 0.03 -0.02 -0.51 0.00 0.07 0.00 0.00 59.36 58.93 2gtj h GLU 9 Cb 0.92 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2gtj h GLU 9 CO 0.43 0.18 -0.22 0.15 0.07 0.00 0.00 179.01 179.62 2gtj s LYS 10 N -5.28 2.39 -0.13 1.06 1.02 -1.26 -4.88 119.74 112.66 2gtj s LYS 10 Ca -0.07 -1.69 -0.02 0.00 0.02 0.00 0.00 55.97 54.22 2gtj s LYS 10 Cb 0.19 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 35.05 2gtj s LYS 10 CO 0.73 -0.61 0.04 1.17 -0.92 0.00 0.00 175.35 175.76 2gtj n LYS 11 N -1.94 -1.87 -2.53 1.68 4.81 -1.26 -4.87 118.16 112.18 2gtj n LYS 11 Ca 0.08 1.72 -0.43 0.00 -0.87 0.00 0.00 58.31 58.80 2gtj n LYS 11 Cb 0.62 -3.07 0.00 0.00 0.02 0.00 0.00 35.03 32.60 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 0.49 3.18 0.22 1.64 4.71 -1.26 -4.72 120.64 124.90 2gtj n GLU 12 Ca -0.07 -3.25 0.09 0.00 -0.01 0.00 0.00 57.16 53.93 2gtj n GLU 12 Cb 0.10 -3.48 0.42 0.00 -1.01 0.00 0.00 31.44 27.47 2gtj n GLU 12 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2gtj h GLN 13 N 7.46 0.00 0.00 3.49 5.75 -1.98 -2.86 115.11 126.97 2gtj h GLN 13 Ca 0.46 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.95 2gtj h GLN 13 Cb 0.86 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.40 2gtj h GLN 13 CO 1.48 0.24 -0.05 0.93 -2.65 0.00 0.00 178.83 178.79 2gtj h GLU 14 N 0.00 0.00 0.04 1.69 4.39 -2.00 -2.69 114.58 116.00 2gtj h GLU 14 Ca -0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 2gtj h GLU 14 Cb 0.80 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2gtj h GLU 14 CO 0.03 0.05 -1.05 -0.84 -1.16 0.00 0.00 179.01 176.03 2gtj h ILE 15 N 0.00 1.65 0.00 3.13 3.07 -1.84 -3.17 117.51 120.34 2gtj h ILE 15 Ca -0.00 -3.28 -0.03 0.00 1.55 0.00 0.00 64.86 63.10 2gtj h ILE 15 Cb 0.08 2.85 -0.00 0.00 -0.27 0.00 0.00 36.82 39.48 2gtj h ILE 15 CO 0.01 0.94 -0.16 0.11 -1.05 0.00 0.00 178.15 177.99 2gtj h LYS 16 N 0.02 0.00 -0.41 0.16 6.56 -1.61 0.29 116.57 121.58 2gtj h LYS 16 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2gtj h LYS 16 Cb 1.80 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.46 2gtj h LYS 16 CO 0.15 0.16 0.00 0.36 -2.06 0.00 0.00 179.45 178.06 2gtj n LYS 17 N -3.45 2.41 0.00 3.15 2.85 -1.23 -2.82 118.16 119.08 2gtj n LYS 17 Ca -0.01 -2.19 0.00 0.00 -1.05 0.00 0.00 58.31 55.06 2gtj n LYS 17 Cb 0.34 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 2gtj n LYS 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2gtj n LYS 18 N 1.23 0.00 -0.06 -1.58 4.81 -0.51 -4.73 118.16 117.32 2gtj n LYS 18 Ca 0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.48 2gtj n LYS 18 Cb 0.54 -0.79 -0.14 0.00 0.02 0.00 0.00 35.03 34.66 2gtj n LYS 18 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2gtj n PHE 19 N -2.60 0.61 -2.24 5.64 -0.00 -0.03 -4.85 117.46 113.99 2gtj n PHE 19 Ca 0.00 0.18 -0.01 0.00 -0.00 0.00 0.00 57.45 57.62 2gtj n PHE 19 Cb 0.46 -1.10 0.00 0.00 -0.00 0.00 0.00 39.48 38.84 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 -3.09 -2.00 -0.08 -4.13 4.81 -1.13 -4.56 118.16 107.98 2gtj n LYS 20 Ca -0.29 1.82 -0.10 0.00 -0.87 0.00 0.00 58.31 58.86 2gtj n LYS 20 Cb 1.07 -3.68 -0.16 0.00 0.02 0.00 0.00 35.03 32.29 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 0.30 0.17 -1.89 3.14 7.99 -1.25 -4.99 117.00 120.47 2gtj n LEU 21 Ca 0.01 0.08 -0.21 0.00 -0.01 0.00 0.00 56.01 55.88 2gtj n LEU 21 Cb 0.04 0.44 -0.06 0.00 -0.11 0.00 0.00 43.42 43.73 2gtj n LEU 21 CO 0.27 0.48 -0.22 0.35 -1.51 0.00 0.00 177.39 176.75 2gtj n THR 22 N -2.81 -0.38 0.00 -5.08 -2.24 -1.26 -4.86 114.28 97.65 2gtj n THR 22 Ca -0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2gtj n THR 22 Cb 1.14 -2.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 -0.65 0.87 3.94 3.38 0.00 -1.26 -5.16 105.19 106.31 2gtj n GLY 23 Ca -0.22 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 2.27 -0.01 1.61 0.04 -1.26 -5.12 135.00 130.53 2gtj s PRO 24 Ca 0.00 -0.39 -0.28 0.00 0.04 0.00 0.00 61.00 60.36 2gtj s PRO 24 Cb 0.00 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 32.38 2gtj s PRO 24 CO 0.00 -1.11 0.78 -1.50 0.04 0.00 0.00 177.00 175.20 2gtj s ILE 25 N -3.13 0.00 0.90 0.56 2.07 -1.26 -5.17 121.20 115.17 2gtj s ILE 25 Ca 0.59 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.72 2gtj s ILE 25 Cb -0.11 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.67 2gtj s ILE 25 CO 0.43 0.00 1.23 0.00 -1.91 0.00 0.00 174.94 174.69 2gtj s GLN 26 N -2.29 0.89 0.19 3.50 -2.07 -1.26 -5.01 119.66 113.61 2gtj s GLN 26 Ca -0.02 -0.65 -0.30 0.00 -1.82 0.00 0.00 55.36 52.57 2gtj s GLN 26 Cb -0.01 -1.99 -0.08 0.00 -1.09 0.00 0.00 33.01 29.85 2gtj s GLN 26 CO -0.02 -2.17 1.13 0.08 -1.32 0.00 0.00 175.29 172.99 2gtj s VAL 27 N -3.68 3.73 -0.10 3.63 1.01 -1.26 -4.58 120.40 119.14 2gtj s VAL 27 Ca 0.72 1.51 0.03 0.00 0.00 0.00 0.00 61.98 64.24 2gtj s VAL 27 Cb -0.04 -3.97 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 2gtj s VAL 27 CO 0.51 0.27 0.43 -0.38 0.00 0.00 0.00 175.10 175.93 2gtj n ILE 28 N 2.23 1.68 -3.57 2.22 2.08 0.15 -4.99 119.36 119.16 2gtj n ILE 28 Ca 0.03 -0.72 -0.06 0.00 0.56 0.00 0.00 62.75 62.56 2gtj n ILE 28 Cb 0.46 -1.38 -0.02 0.00 -0.75 0.00 0.00 39.64 37.95 2gtj n ILE 28 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2gtj s HIS 29 N -2.57 -0.26 -0.26 1.39 3.76 -1.20 -5.00 115.29 111.15 2gtj s HIS 29 Ca -0.16 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 54.75 2gtj s HIS 29 Cb 0.07 0.56 -0.05 0.00 1.11 0.00 0.00 32.58 34.27 2gtj s HIS 29 CO 0.78 -0.54 0.16 -0.51 -0.85 0.00 0.00 174.74 173.78 2gtj s LEU 30 N -2.56 3.92 0.24 0.89 1.02 -1.26 -0.09 118.68 120.84 2gtj s LEU 30 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.20 2gtj s LEU 30 Cb -0.01 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 2gtj s LEU 30 CO -0.06 -0.02 0.43 0.00 0.02 0.00 0.00 176.35 176.72 2gtj s ALA 31 N 1.57 3.79 -0.18 4.21 0.00 0.21 -0.22 121.76 131.15 2gtj s ALA 31 Ca 0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 2gtj s ALA 31 Cb -0.15 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2gtj s ALA 31 CO 0.08 0.33 0.01 0.21 0.00 0.00 0.00 175.76 176.39 2gtj s LYS 32 N -3.55 3.75 -0.34 0.00 2.20 0.12 0.25 119.74 122.17 2gtj s LYS 32 Ca 0.39 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 55.26 2gtj s LYS 32 Cb -0.11 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2gtj s LYS 32 CO 0.30 0.17 1.78 0.00 -0.36 0.00 0.00 175.35 177.25 2gtj s ALA 33 N 0.59 2.84 -0.26 3.13 0.00 -1.26 -1.05 121.76 125.75 2gtj s ALA 33 Ca -0.00 0.20 0.19 0.00 0.00 0.00 0.00 51.96 52.36 2gtj s ALA 33 Cb -0.14 -4.02 0.11 0.00 0.00 0.00 0.00 23.12 19.07 2gtj s ALA 33 CO 0.02 -2.67 1.33 0.00 0.00 0.00 0.00 175.76 174.43 2gtj s ASP 36 N -0.79 6.29 0.13 0.00 2.15 -1.26 -3.82 116.67 119.37 2gtj s ASP 36 Ca -0.00 -0.54 0.08 0.00 0.43 0.00 0.00 52.55 52.52 2gtj s ASP 36 Cb -0.06 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 2gtj s ASP 36 CO 0.00 -1.24 -0.12 0.54 -0.17 0.00 0.00 175.17 174.18 2gtj s VAL 37 N 3.85 3.14 -2.25 1.11 0.11 -0.10 -4.92 120.40 121.35 2gtj s VAL 37 Ca 0.27 -1.48 0.22 0.00 -2.93 0.00 0.00 61.98 58.06 2gtj s VAL 37 Cb -0.14 -2.49 0.50 0.00 -1.53 0.00 0.00 36.38 32.72 2gtj s VAL 37 CO 0.17 0.03 1.46 2.29 -3.33 0.00 0.00 175.10 175.71 2gtj n LYS 38 N 0.50 2.45 -1.96 1.54 2.85 -1.26 -2.02 118.16 120.27 2gtj n LYS 38 Ca -0.13 -2.23 -0.04 0.00 -1.05 0.00 0.00 58.31 54.86 2gtj n LYS 38 Cb 0.53 -1.51 0.02 0.00 -0.65 0.00 0.00 35.03 33.43 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 1.50 0.41 3.71 2.58 0.00 -1.17 -4.66 105.19 107.56 2gtj n GLY 39 Ca 0.20 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.11 1.89 -1.51 -0.02 0.00 -1.26 -4.09 107.32 99.21 2gtj s GLY 40 Ca 0.10 -1.14 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 2gtj s GLY 40 CO 0.18 -1.13 0.31 1.17 0.00 0.00 0.00 173.10 173.62 2gtj n LYS 41 N 0.36 -3.15 -2.35 2.90 4.81 -1.26 -3.76 118.16 115.71 2gtj n LYS 41 Ca -0.10 0.87 -0.02 0.00 -0.87 0.00 0.00 58.31 58.19 2gtj n LYS 41 Cb 0.53 -5.49 0.00 0.00 0.02 0.00 0.00 35.03 30.08 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 -1.89 -6.06 -2.21 3.14 3.02 -1.26 -5.07 115.26 104.93 2gtj n ASN 42 Ca -0.16 0.77 -0.09 0.00 -0.03 0.00 0.00 54.58 55.07 2gtj n ASN 42 Cb 0.64 -3.95 -0.02 0.00 -0.61 0.00 0.00 39.78 35.84 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 0.19 0.39 -3.84 3.52 2.13 -1.25 -4.56 120.64 117.23 2gtj n GLU 43 Ca 0.03 -1.72 -0.27 0.00 0.66 0.00 0.00 57.16 55.86 2gtj n GLU 43 Cb 0.10 1.61 -0.03 0.00 0.27 0.00 0.00 31.44 33.39 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 4.29 -0.27 4.31 0.20 -1.24 -4.55 118.68 121.42 2gtj s LEU 44 Ca 0.18 0.27 -0.10 0.00 0.69 0.00 0.00 54.13 55.18 2gtj s LEU 44 Cb -0.00 -3.02 -0.04 0.00 -0.43 0.00 0.00 46.19 42.69 2gtj s LEU 44 CO 0.13 0.02 0.15 -0.44 -0.29 0.00 0.00 176.35 175.92 2gtj s SER 45 N -3.17 5.75 0.13 3.68 0.01 -1.26 -3.03 113.70 115.82 2gtj s SER 45 Ca 0.36 -0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.43 2gtj s SER 45 Cb -0.11 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.08 2gtj s SER 45 CO 0.29 -0.04 0.34 0.72 0.41 0.00 0.00 173.24 174.96 2gtj s PHE 46 N 1.69 0.02 0.11 2.43 -0.12 -0.86 -4.96 117.98 116.29 2gtj s PHE 46 Ca 0.07 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 2gtj s PHE 46 Cb -0.16 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 2gtj s PHE 46 CO 0.09 -0.70 0.05 0.15 -0.05 0.00 0.00 175.22 174.76 2gtj s LYS 47 N -3.86 2.72 -0.25 1.99 -0.14 -1.26 -0.92 119.74 118.02 2gtj s LYS 47 Ca 0.07 -0.81 -0.32 0.00 -1.36 0.00 0.00 55.97 53.55 2gtj s LYS 47 Cb 0.02 -2.61 -0.09 0.00 -1.68 0.00 0.00 37.83 33.48 2gtj s LYS 47 CO -0.08 0.53 2.16 1.04 -0.76 0.00 0.00 175.35 178.24 2gtj n GLN 48 N 0.32 1.65 -0.33 1.68 6.02 -1.25 -0.65 117.38 124.81 2gtj n GLN 48 Ca -0.09 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2gtj n GLN 48 Cb 0.52 -2.83 0.00 0.00 1.02 0.00 0.00 30.24 28.95 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gtj n GLY 49 N 5.87 1.25 0.20 1.08 0.00 -0.23 -4.97 105.19 108.39 2gtj n GLY 49 Ca 0.33 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.71 -2.67 1.61 4.57 -1.11 -3.48 114.58 114.21 2gtj h GLU 50 Ca 0.00 -0.76 0.00 0.00 -1.18 0.00 0.00 59.36 57.42 2gtj h GLU 50 Cb 0.11 0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2gtj h GLU 50 CO 0.00 1.33 -0.21 0.94 -1.18 0.00 0.00 179.01 179.90 2gtj n GLN 51 N -3.85 -0.95 -4.39 1.92 7.27 -1.26 -4.99 117.38 111.14 2gtj n GLN 51 Ca -0.11 1.10 -0.24 0.00 0.07 0.00 0.00 57.00 57.82 2gtj n GLN 51 Cb 0.88 -1.38 -0.09 0.00 2.41 0.00 0.00 30.24 32.07 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 -0.11 2.71 -0.06 1.69 1.01 0.14 -4.64 121.20 121.93 2gtj s ILE 52 Ca -0.01 -2.09 0.06 0.00 0.00 0.00 0.00 60.65 58.60 2gtj s ILE 52 Cb 0.00 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 2gtj s ILE 52 CO 0.03 -0.28 -0.24 -1.61 0.00 0.00 0.00 174.94 172.83 2gtj s GLU 53 N -3.65 2.59 -0.15 2.79 2.02 0.13 0.66 118.70 123.10 2gtj s GLU 53 Ca 0.33 -0.89 -0.17 0.00 0.02 0.00 0.00 54.97 54.26 2gtj s GLU 53 Cb -0.02 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 2gtj s GLU 53 CO 0.18 0.38 0.42 -1.50 0.02 0.00 0.00 175.26 174.76 2gtj s ILE 54 N -0.16 5.21 -0.09 -1.63 1.10 0.87 -0.16 121.20 126.35 2gtj s ILE 54 Ca -0.03 0.80 -0.01 0.00 -0.51 0.00 0.00 60.65 60.90 2gtj s ILE 54 Cb -0.14 -3.75 -0.05 0.00 0.15 0.00 0.00 42.46 38.67 2gtj s ILE 54 CO 0.04 0.31 -0.09 2.30 -2.11 0.00 0.00 174.94 175.39 2gtj n ILE 55 N 3.86 0.50 -4.48 2.00 -0.00 -0.54 0.32 119.36 121.03 2gtj n ILE 55 Ca -0.08 -0.18 -0.25 0.00 -0.00 0.00 0.00 62.75 62.24 2gtj n ILE 55 Cb 0.51 -0.99 -0.17 0.00 -0.00 0.00 0.00 39.64 39.00 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 -2.17 1.72 0.00 6.28 6.06 -1.19 -4.66 118.95 124.99 2gtj s ARG 56 Ca -0.12 -0.40 0.00 0.00 -2.50 0.00 0.00 55.73 52.71 2gtj s ARG 56 Cb 0.03 -1.47 0.00 0.00 0.06 0.00 0.00 34.95 33.57 2gtj s ARG 56 CO 0.19 -0.02 0.11 0.44 -2.50 0.00 0.00 175.30 173.52 2gtj n ILE 57 N 4.00 0.00 -4.21 4.11 -0.00 -1.26 -0.54 119.36 121.46 2gtj n ILE 57 Ca -0.21 -0.35 -0.29 0.00 -0.00 0.00 0.00 62.75 61.90 2gtj n ILE 57 Cb 0.51 1.10 -0.09 0.00 -0.00 0.00 0.00 39.64 41.16 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 -0.47 3.50 -1.15 7.28 -4.23 -1.26 -4.63 115.64 114.68 2gtj s THR 58 Ca 0.00 -1.27 -0.08 0.00 -1.18 0.00 0.00 61.69 59.16 2gtj s THR 58 Cb 0.00 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 2gtj s THR 58 CO 0.00 0.07 0.85 -0.67 -0.54 0.00 0.00 174.62 174.33 2gtj n ASP 59 N 0.53 -4.55 -4.30 3.99 2.03 -1.26 -4.97 116.55 108.02 2gtj n ASP 59 Ca -0.12 -0.80 -0.40 0.00 0.52 0.00 0.00 54.79 53.98 2gtj n ASP 59 Cb 0.53 -4.51 -0.10 0.00 -0.72 0.00 0.00 41.12 36.32 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 -3.75 5.68 0.52 1.67 4.22 -1.26 -4.85 114.94 117.17 2gtj s ASN 60 Ca 0.31 -1.36 0.29 0.00 -2.14 0.00 0.00 52.86 49.95 2gtj s ASN 60 Cb -0.07 -2.00 1.40 0.00 1.28 0.00 0.00 41.25 41.86 2gtj s ASN 60 CO 0.78 -0.50 2.03 -0.65 -2.04 0.00 0.00 177.10 176.72 2gtj h PRO 61 N 8.43 0.00 -0.02 3.55 0.11 -1.88 -2.60 132.00 139.59 2gtj h PRO 61 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2gtj h PRO 61 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2gtj h PRO 61 CO 0.74 0.12 0.00 -1.91 -0.21 0.00 0.00 178.00 176.74 2gtj n GLU 62 N -3.46 0.53 -1.11 1.05 2.13 -1.26 -4.95 120.64 113.57 2gtj n GLU 62 Ca -0.01 -1.15 -0.04 0.00 0.66 0.00 0.00 57.16 56.62 2gtj n GLU 62 Cb 0.28 -1.21 -0.02 0.00 0.27 0.00 0.00 31.44 30.77 2gtj n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gtj n GLY 63 N 0.60 0.67 3.73 8.31 0.00 -0.98 -5.01 105.19 112.50 2gtj n GLY 63 Ca 0.06 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.93 2.51 0.60 1.61 -2.85 -1.26 -4.69 119.74 113.72 2gtj s LYS 64 Ca 0.00 -1.35 0.05 0.00 -1.00 0.00 0.00 55.97 53.67 2gtj s LYS 64 Cb 0.00 -2.29 0.08 0.00 -2.06 0.00 0.00 37.83 33.56 2gtj s LYS 64 CO 0.00 0.29 0.83 -1.58 0.10 0.00 0.00 175.35 174.98 2gtj s TRP 65 N -2.30 1.81 -0.26 1.78 0.51 0.96 -4.80 118.94 116.64 2gtj s TRP 65 Ca 0.34 -0.46 0.00 0.00 -2.12 0.00 0.00 56.10 53.87 2gtj s TRP 65 Cb -0.06 -2.55 0.05 0.00 -0.81 0.00 0.00 33.47 30.10 2gtj s TRP 65 CO 0.22 -1.21 -0.07 -1.17 -0.51 0.00 0.00 176.95 174.22 2gtj s LEU 66 N -4.79 3.44 0.19 2.99 2.96 0.30 -0.20 118.68 123.58 2gtj s LEU 66 Ca 0.62 -1.20 0.09 0.00 -0.22 0.00 0.00 54.13 53.42 2gtj s LEU 66 Cb -0.07 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2gtj s LEU 66 CO 0.40 -0.19 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.34 2gtj s GLY 67 N 1.21 1.72 0.03 7.98 0.00 -0.99 -1.46 107.32 115.81 2gtj s GLY 67 Ca -0.05 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.20 2gtj s GLY 67 CO -0.04 -1.52 -0.07 -1.60 0.00 0.00 0.00 173.10 169.87 2gtj s ARG 68 N -2.99 0.48 0.21 2.90 3.52 0.77 -1.07 118.95 122.77 2gtj s ARG 68 Ca 0.26 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 55.27 2gtj s ARG 68 Cb -0.08 -0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.01 2gtj s ARG 68 CO 0.16 0.05 0.29 0.99 -0.81 0.00 0.00 175.30 175.98 2gtj s THR 69 N -1.17 5.08 0.47 4.11 2.01 -0.97 0.22 115.64 125.40 2gtj s THR 69 Ca -0.09 -0.97 0.24 0.00 0.31 0.00 0.00 61.69 61.18 2gtj s THR 69 Cb -0.09 -3.70 0.42 0.00 0.01 0.00 0.00 72.50 69.15 2gtj s THR 69 CO 0.00 -0.24 1.87 0.00 -0.69 0.00 0.00 174.62 175.57 2gtj h ALA 70 N 1.63 2.48 0.00 7.40 0.00 -1.93 0.38 119.26 129.22 2gtj h ALA 70 Ca -0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2gtj h ALA 70 Cb 1.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gtj h ALA 70 CO 0.63 -0.75 -0.12 -0.09 0.00 0.00 0.00 179.25 178.92 2gtj h ARG 71 N 0.22 0.00 -1.25 0.00 1.12 -1.98 -3.47 114.38 109.02 2gtj h ARG 71 Ca 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.32 2gtj h ARG 71 Cb 1.39 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.35 2gtj h ARG 71 CO -0.11 0.12 0.00 0.41 -3.11 0.00 0.00 179.97 177.28 2gtj n GLY 72 N -0.83 -1.18 3.34 2.80 0.00 0.13 -5.10 105.19 104.35 2gtj n GLY 72 Ca -0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.04 -0.46 -0.47 1.61 0.01 -1.25 -4.93 113.70 108.17 2gtj s SER 73 Ca 0.00 1.08 -0.01 0.00 1.31 0.00 0.00 55.95 58.33 2gtj s SER 73 Cb 0.00 1.38 0.12 0.00 0.21 0.00 0.00 66.02 67.74 2gtj s SER 73 CO 0.00 -0.22 0.25 -0.31 0.41 0.00 0.00 173.24 173.37 2gtj s TYR 74 N 2.39 3.53 -0.38 2.43 1.51 -1.26 -2.30 117.35 123.27 2gtj s TYR 74 Ca -0.04 -2.66 -0.05 0.00 -1.01 0.00 0.00 57.07 53.31 2gtj s TYR 74 Cb -0.11 -3.14 0.08 0.00 -0.11 0.00 0.00 41.96 38.68 2gtj s TYR 74 CO -0.14 -0.91 0.16 0.20 -1.11 0.00 0.00 175.55 173.74 2gtj s GLY 75 N 1.19 1.91 -0.81 0.71 0.00 -0.23 -4.82 107.32 105.26 2gtj s GLY 75 Ca 0.12 -2.12 -0.25 0.00 0.00 0.00 0.00 44.72 42.47 2gtj s GLY 75 CO -0.04 0.89 2.47 1.58 0.00 0.00 0.00 173.10 178.00 2gtj n TYR 76 N 4.73 0.82 -2.58 1.90 0.18 -1.26 -2.34 117.16 118.61 2gtj n TYR 76 Ca -0.09 0.16 -0.38 0.00 1.88 0.00 0.00 57.90 59.48 2gtj n TYR 76 Cb 0.43 -2.15 -0.05 0.00 -0.38 0.00 0.00 39.34 37.19 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 9.30 3.77 -0.32 -3.48 -4.36 0.73 -3.89 121.20 122.95 2gtj s ILE 77 Ca 1.17 1.50 -0.29 0.00 -0.26 0.00 0.00 60.65 62.76 2gtj s ILE 77 Cb -0.67 -3.84 0.01 0.00 1.25 0.00 0.00 42.46 39.21 2gtj s ILE 77 CO 0.37 0.15 1.14 -1.59 0.24 0.00 0.00 174.94 175.24 2gtj s LYS 78 N -2.08 4.02 0.36 0.37 -2.85 -1.26 -0.03 119.74 118.27 2gtj s LYS 78 Ca 0.52 1.10 0.27 0.00 -1.00 0.00 0.00 55.97 56.86 2gtj s LYS 78 Cb -0.24 -3.78 1.21 0.00 -2.06 0.00 0.00 37.83 32.96 2gtj s LYS 78 CO 0.31 -0.97 1.26 0.25 0.10 0.00 0.00 175.35 176.30 2gtj n THR 79 N 5.98 -0.20 0.39 3.79 -2.24 -1.26 0.05 114.28 120.79 2gtj n THR 79 Ca 0.13 1.45 0.12 0.00 -2.27 0.00 0.00 64.05 63.49 2gtj n THR 79 Cb 0.47 -2.38 0.51 0.00 -2.10 0.00 0.00 70.33 66.82 2gtj n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gtj h THR 80 N 0.00 0.00 0.00 4.28 1.03 -1.96 -2.96 112.91 113.30 2gtj h THR 80 Ca 0.71 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.85 2gtj h THR 80 Cb 2.31 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 70.41 2gtj h THR 80 CO -0.37 0.00 -0.62 0.00 -0.01 0.00 0.00 175.52 174.52 2gtj n ALA 81 N -1.80 3.06 -2.39 0.00 0.00 0.11 -4.85 120.51 114.63 2gtj n ALA 81 Ca 0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 2gtj n ALA 81 Cb 0.24 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.13 1.38 -0.11 0.00 -7.23 -1.12 -0.77 120.40 109.41 2gtj s VAL 82 Ca 0.07 -2.08 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2gtj s VAL 82 Cb 0.14 -2.44 0.04 0.00 0.56 0.00 0.00 36.38 34.68 2gtj s VAL 82 CO 0.72 -0.29 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.60 2gtj s GLU 83 N -3.79 0.84 0.12 4.82 2.02 -0.22 -4.81 118.70 117.67 2gtj s GLU 83 Ca 0.30 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.86 2gtj s GLU 83 Cb 0.05 -1.42 -0.06 0.00 0.10 0.00 0.00 34.13 32.80 2gtj s GLU 83 CO 0.11 -0.39 1.03 0.96 0.02 0.00 0.00 175.26 177.00 2gtj s ILE 84 N 1.88 4.28 -0.06 -1.63 -5.25 -1.26 0.13 121.20 119.29 2gtj s ILE 84 Ca 0.03 1.86 -0.30 0.00 -0.99 0.00 0.00 60.65 61.25 2gtj s ILE 84 Cb -0.14 -4.19 -0.04 0.00 2.95 0.00 0.00 42.46 41.05 2gtj s ILE 84 CO -0.07 0.27 1.33 -1.81 -1.79 0.00 0.00 174.94 172.87 2gtj s ASP 85 N 0.17 6.92 0.25 4.36 1.01 0.70 -4.89 116.67 125.19 2gtj s ASP 85 Ca 0.49 1.94 -0.19 0.00 0.71 0.00 0.00 52.55 55.51 2gtj s ASP 85 Cb -0.26 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.04 2gtj s ASP 85 CO 0.31 -0.70 0.73 -0.31 0.21 0.00 0.00 175.17 175.42 2gtj s TYR 86 N 2.70 3.57 -1.94 4.23 2.02 -1.26 -4.47 117.35 122.19 2gtj s TYR 86 Ca 0.60 1.35 0.19 0.00 -0.37 0.00 0.00 57.07 58.84 2gtj s TYR 86 Cb -0.27 -2.60 0.39 0.00 -0.40 0.00 0.00 41.96 39.07 2gtj s TYR 86 CO 0.23 0.26 1.32 -3.47 -1.57 0.00 0.00 175.55 172.32 2gtj n ASP 87 N 0.41 3.24 -4.60 2.29 2.03 -1.26 -4.92 116.55 113.73 2gtj n ASP 87 Ca -0.01 -1.93 -0.30 0.00 0.52 0.00 0.00 54.79 53.08 2gtj n ASP 87 Cb 0.52 -0.25 -0.09 0.00 -0.72 0.00 0.00 41.12 40.58 2gtj n ASP 87 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2gtj s SER 88 N -1.24 3.75 -1.53 1.67 0.15 -1.26 -4.77 113.70 110.46 2gtj s SER 88 Ca 0.34 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.40 2gtj s SER 88 Cb 0.19 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2gtj s SER 88 CO 0.26 -0.78 0.00 0.18 1.20 0.00 0.00 173.24 174.11 2gtj n LEU 89 N -1.11 -1.64 -4.50 3.45 4.32 -1.26 -4.92 117.00 111.33 2gtj n LEU 89 Ca -0.13 0.09 -0.42 0.00 -0.02 0.00 0.00 56.01 55.53 2gtj n LEU 89 Cb 0.67 -2.46 -0.03 0.00 -1.62 0.00 0.00 43.42 39.97 2gtj n LEU 89 CO 0.40 -0.35 0.96 -0.54 -1.22 0.00 0.00 177.39 176.64 2gtj s LYS 90 N -4.49 3.16 -0.18 3.23 1.02 -1.26 -4.92 119.74 116.30 2gtj s LYS 90 Ca 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.43 2gtj s LYS 90 Cb 0.00 -4.20 0.06 0.00 -0.52 0.00 0.00 37.83 33.17 2gtj s LYS 90 CO 0.00 -1.98 0.08 -1.17 -0.92 0.00 0.00 175.35 171.36 2gtj s LEU 91 N 4.91 0.62 -0.38 3.17 1.98 -1.26 -5.09 118.68 122.61 2gtj s LEU 91 Ca 0.29 -0.71 0.02 0.00 -2.89 0.00 0.00 54.13 50.83 2gtj s LEU 91 Cb -0.12 -0.36 0.12 0.00 0.66 0.00 0.00 46.19 46.49 2gtj s LEU 91 CO 0.13 -0.34 0.16 -0.75 -1.89 0.00 0.00 176.35 173.65 2gtj s LYS 92 N 2.05 1.18 -0.22 1.98 2.20 -1.26 -4.95 119.74 120.73 2gtj s LYS 92 Ca 0.01 -1.71 -0.06 0.00 -0.36 0.00 0.00 55.97 53.85 2gtj s LYS 92 Cb -0.16 -2.46 0.02 0.00 -1.51 0.00 0.00 37.83 33.72 2gtj s LYS 92 CO -0.10 -1.06 0.12 1.17 -0.36 0.00 0.00 175.35 175.12 2gtj n LYS 93 N 4.09 -3.74 -2.64 4.03 3.00 -1.26 -5.03 118.16 116.61 2gtj n LYS 93 Ca 0.04 2.93 -0.21 0.00 -0.00 0.00 0.00 58.31 61.06 2gtj n LYS 93 Cb 0.38 -4.75 0.04 0.00 0.00 0.00 0.00 35.03 30.70 2gtj n LYS 93 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2gtj s ASP 94 N -1.06 5.29 -0.26 3.14 1.47 -1.26 -5.10 116.67 118.89 2gtj s ASP 94 Ca -0.14 0.02 -0.02 0.00 1.18 0.00 0.00 52.55 53.59 2gtj s ASP 94 Cb 0.01 -0.91 0.15 0.00 -0.34 0.00 0.00 42.92 41.83 2gtj s ASP 94 CO 0.71 -1.14 0.45 -0.22 0.68 0.00 0.00 175.17 175.65 2gtj s LEU 95 N -4.77 -0.89 0.00 2.11 2.96 -1.26 -5.30 118.68 111.54 2gtj s LEU 95 Ca 0.57 0.43 0.15 0.00 -0.22 0.00 0.00 54.13 55.06 2gtj s LEU 95 Cb -0.10 1.46 0.12 0.00 0.50 0.00 0.00 46.19 48.17 2gtj s LEU 95 CO 0.39 -0.29 0.99 -0.62 -1.32 0.00 0.00 176.35 175.50