#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 3.58 0.00 3.49 2.20 -1.26 -4.83 119.74 122.93 2gtj s LYS 2 Ca 0.00 -1.81 0.24 0.00 -0.36 0.00 0.00 55.97 54.04 2gtj s LYS 2 Cb 0.00 -4.85 1.15 0.00 -1.51 0.00 0.00 37.83 32.62 2gtj s LYS 2 CO 0.00 -1.72 1.78 1.17 -0.36 0.00 0.00 175.35 176.21 2gtj n LYS 3 N 6.31 1.37 0.21 4.03 4.81 -1.26 -3.08 118.16 130.56 2gtj n LYS 3 Ca 0.22 -0.55 0.07 0.00 -0.87 0.00 0.00 58.31 57.18 2gtj n LYS 3 Cb 0.49 -1.41 0.45 0.00 0.02 0.00 0.00 35.03 34.57 2gtj n LYS 3 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2gtj h GLU 4 N 1.21 0.00 -6.39 1.64 3.07 -2.10 -3.43 114.58 108.58 2gtj h GLU 4 Ca 0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.40 2gtj h GLU 4 Cb 0.26 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2gtj h GLU 4 CO 0.00 0.30 -0.29 1.14 -1.40 0.00 0.00 179.01 178.75 2gtj s GLN 5 N -3.84 3.32 -0.04 2.33 -2.07 -1.18 -5.08 119.66 113.09 2gtj s GLN 5 Ca -0.01 -0.67 -0.14 0.00 -1.82 0.00 0.00 55.36 52.72 2gtj s GLN 5 Cb 0.12 -2.76 0.05 0.00 -1.09 0.00 0.00 33.01 29.32 2gtj s GLN 5 CO 0.66 0.16 0.62 1.17 -1.32 0.00 0.00 175.29 176.59 2gtj n LYS 6 N -1.67 0.02 -2.32 9.60 4.81 -1.26 -5.03 118.16 122.30 2gtj n LYS 6 Ca -0.04 -0.26 -0.35 0.00 -0.87 0.00 0.00 58.31 56.79 2gtj n LYS 6 Cb 0.57 0.49 -0.04 0.00 0.02 0.00 0.00 35.03 36.07 2gtj n LYS 6 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2gtj s GLU 7 N -2.00 3.16 -1.16 1.64 8.01 -1.26 -4.87 118.70 122.21 2gtj s GLU 7 Ca 0.15 -1.05 -0.18 0.00 0.01 0.00 0.00 54.97 53.90 2gtj s GLU 7 Cb -0.00 -5.28 0.10 0.00 -4.31 0.00 0.00 34.13 24.64 2gtj s GLU 7 CO -0.01 -2.89 1.51 -1.59 0.01 0.00 0.00 175.26 172.29 2gtj s LYS 8 N 5.72 3.88 -0.32 1.61 0.00 -1.26 -4.94 119.74 124.43 2gtj s LYS 8 Ca 0.59 -1.94 -0.12 0.00 0.00 0.00 0.00 55.97 54.50 2gtj s LYS 8 Cb -0.01 -5.29 -0.03 0.00 0.00 0.00 0.00 37.83 32.50 2gtj s LYS 8 CO 0.00 -2.05 0.22 -2.00 0.00 0.00 0.00 175.35 171.52 2gtj s GLU 9 N 3.47 3.64 0.07 1.78 2.12 -1.26 -4.98 118.70 123.54 2gtj s GLU 9 Ca 0.46 -0.54 -0.18 0.00 0.36 0.00 0.00 54.97 55.08 2gtj s GLU 9 Cb 0.00 -3.74 -0.10 0.00 0.26 0.00 0.00 34.13 30.55 2gtj s GLU 9 CO -0.00 -0.35 1.43 1.57 -0.54 0.00 0.00 175.26 177.36 2gtj h LYS 10 N 8.44 0.49 -3.52 4.30 2.10 -2.00 -3.47 116.57 122.91 2gtj h LYS 10 Ca -0.33 -0.22 -0.05 0.00 -2.00 0.00 0.00 60.65 58.06 2gtj h LYS 10 Cb 1.17 -0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 32.38 2gtj h LYS 10 CO 0.60 0.77 -0.09 0.15 -2.00 0.00 0.00 179.45 178.88 2gtj s LYS 11 N -4.56 1.36 -1.28 0.07 1.02 -1.26 -5.07 119.74 110.03 2gtj s LYS 11 Ca -0.13 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 54.68 2gtj s LYS 11 Cb 0.07 0.47 0.12 0.00 -0.52 0.00 0.00 37.83 37.98 2gtj s LYS 11 CO 0.77 -0.56 1.68 -0.85 -0.92 0.00 0.00 175.35 175.47 2gtj n GLU 12 N -0.32 3.30 -0.01 1.68 -0.00 -1.26 -4.61 120.64 119.42 2gtj n GLU 12 Ca -0.07 -3.49 -0.22 0.00 -0.00 0.00 0.00 57.16 53.38 2gtj n GLU 12 Cb 0.62 -3.20 -0.13 0.00 -0.00 0.00 0.00 31.44 28.73 2gtj n GLU 12 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2gtj n GLN 13 N 6.32 0.73 0.00 3.44 0.00 -1.26 -4.24 117.38 122.36 2gtj n GLN 13 Ca 0.43 0.32 0.10 0.00 -0.00 0.00 0.00 57.00 57.85 2gtj n GLN 13 Cb 0.42 -1.72 0.52 0.00 0.00 0.00 0.00 30.24 29.46 2gtj n GLN 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2gtj h GLU 14 N -0.14 0.34 -0.28 3.69 4.39 -2.00 -1.44 114.58 119.15 2gtj h GLU 14 Ca -0.41 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 2gtj h GLU 14 Cb 1.90 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.45 2gtj h GLU 14 CO 0.03 0.23 0.03 -0.84 -1.16 0.00 0.00 179.01 177.30 2gtj h ILE 15 N 0.35 1.16 -0.00 3.13 3.07 -1.90 0.24 117.51 123.56 2gtj h ILE 15 Ca 0.19 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 66.01 2gtj h ILE 15 Cb 0.31 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 37.78 2gtj h ILE 15 CO -0.04 0.21 -0.00 0.29 -1.05 0.00 0.00 178.15 177.55 2gtj n LYS 16 N -4.34 0.57 -0.00 0.16 4.01 -0.54 -0.55 118.16 117.46 2gtj n LYS 16 Ca 0.01 -0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.85 2gtj n LYS 16 Cb 0.20 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.17 2gtj n LYS 16 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2gtj n LYS 17 N -1.22 2.91 -0.07 1.97 3.00 -0.31 -3.82 118.16 120.63 2gtj n LYS 17 Ca 0.17 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.31 58.38 2gtj n LYS 17 Cb 0.21 -0.98 -0.02 0.00 0.00 0.00 0.00 35.03 34.24 2gtj n LYS 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2gtj n LYS 18 N -1.40 0.43 0.04 1.64 3.00 0.68 -4.58 118.16 117.97 2gtj n LYS 18 Ca 0.00 0.22 -0.01 0.00 -0.00 0.00 0.00 58.31 58.52 2gtj n LYS 18 Cb 0.15 -1.31 -0.07 0.00 0.00 0.00 0.00 35.03 33.80 2gtj n LYS 18 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2gtj h PHE 19 N -0.82 0.00 -4.55 5.64 3.04 -1.06 -3.46 116.94 115.73 2gtj h PHE 19 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2gtj h PHE 19 Cb 0.76 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.27 2gtj h PHE 19 CO -0.33 0.66 -0.48 1.63 -2.02 0.00 0.00 178.31 177.77 2gtj n LYS 20 N -3.00 -1.97 -0.00 1.11 5.02 -0.59 -4.50 118.16 114.23 2gtj n LYS 20 Ca -0.08 1.82 -0.00 0.00 -2.02 0.00 0.00 58.31 58.03 2gtj n LYS 20 Cb 0.86 -4.29 -0.00 0.00 -0.02 0.00 0.00 35.03 31.58 2gtj n LYS 20 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2gtj n LEU 21 N -0.04 0.05 -2.74 -0.35 7.99 -1.26 -5.00 117.00 115.65 2gtj n LEU 21 Ca 0.05 0.01 -0.05 0.00 -0.01 0.00 0.00 56.01 56.01 2gtj n LEU 21 Cb 0.20 -0.50 0.01 0.00 -0.11 0.00 0.00 43.42 43.01 2gtj n LEU 21 CO 0.33 -0.49 0.12 0.41 -1.51 0.00 0.00 177.39 176.25 2gtj n THR 22 N -2.55 -9.73 0.00 -5.08 -1.04 -1.26 -5.05 114.28 89.57 2gtj n THR 22 Ca -0.00 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 2gtj n THR 22 Cb 0.01 -6.79 0.00 0.00 -1.82 0.00 0.00 70.33 61.73 2gtj n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gtj n GLY 23 N -0.74 2.75 3.59 3.41 0.00 -1.26 -5.08 105.19 107.86 2gtj n GLY 23 Ca 0.07 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2gtj n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gtj s PRO 24 N -2.00 3.58 0.43 1.61 0.02 -1.26 -5.00 135.00 132.38 2gtj s PRO 24 Ca 0.00 0.62 0.07 0.00 0.02 0.00 0.00 61.00 61.71 2gtj s PRO 24 Cb 0.00 -3.99 -0.04 0.00 0.02 0.00 0.00 34.50 30.49 2gtj s PRO 24 CO 0.00 -1.57 0.20 0.96 -0.33 0.00 0.00 177.00 176.26 2gtj s ILE 25 N 5.09 2.20 0.06 2.83 -5.25 -1.26 -5.15 121.20 119.72 2gtj s ILE 25 Ca 0.52 -1.68 0.01 0.00 -0.99 0.00 0.00 60.65 58.51 2gtj s ILE 25 Cb -0.10 -2.88 -0.00 0.00 2.95 0.00 0.00 42.46 42.43 2gtj s ILE 25 CO 0.30 0.00 0.02 0.00 -1.79 0.00 0.00 174.94 173.47 2gtj n GLN 26 N -1.30 0.97 -3.57 0.37 0.00 -1.26 -5.14 117.38 107.45 2gtj n GLN 26 Ca -0.02 -0.54 -0.35 0.00 0.00 0.00 0.00 57.00 56.10 2gtj n GLN 26 Cb 0.65 0.28 -0.05 0.00 0.00 0.00 0.00 30.24 31.11 2gtj n GLN 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2gtj s VAL 27 N -1.72 5.09 -0.24 -0.39 0.11 -1.26 -4.54 120.40 117.44 2gtj s VAL 27 Ca 0.03 0.45 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 2gtj s VAL 27 Cb 0.00 -3.65 -0.17 0.00 -1.53 0.00 0.00 36.38 31.03 2gtj s VAL 27 CO 0.02 0.28 -0.19 -0.38 -3.33 0.00 0.00 175.10 171.50 2gtj n ILE 28 N 0.87 1.41 -3.79 7.04 2.08 0.16 -4.96 119.36 122.17 2gtj n ILE 28 Ca -0.08 -0.57 -0.07 0.00 0.56 0.00 0.00 62.75 62.58 2gtj n ILE 28 Cb 0.52 -1.28 -0.02 0.00 -0.75 0.00 0.00 39.64 38.11 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 -2.49 -0.23 -0.29 1.39 3.76 -1.15 -5.01 115.29 111.26 2gtj s HIS 29 Ca -0.31 -0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 2gtj s HIS 29 Cb 0.08 0.68 -0.03 0.00 1.11 0.00 0.00 32.58 34.42 2gtj s HIS 29 CO 0.60 -1.15 0.18 -0.51 -0.85 0.00 0.00 174.74 173.02 2gtj s LEU 30 N -2.89 4.09 0.20 0.89 2.01 -1.26 -0.52 118.68 121.19 2gtj s LEU 30 Ca 0.10 -0.19 0.01 0.00 0.01 0.00 0.00 54.13 54.06 2gtj s LEU 30 Cb -0.05 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 44.02 2gtj s LEU 30 CO 0.04 -0.11 0.37 0.00 1.01 0.00 0.00 176.35 177.65 2gtj s ALA 31 N 1.72 3.88 -0.18 4.21 0.00 0.24 0.19 121.76 131.81 2gtj s ALA 31 Ca 0.06 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2gtj s ALA 31 Cb -0.16 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2gtj s ALA 31 CO 0.09 0.41 0.06 0.21 0.00 0.00 0.00 175.76 176.54 2gtj s LYS 32 N -3.45 3.98 -0.30 0.00 2.20 0.19 0.73 119.74 123.09 2gtj s LYS 32 Ca 0.37 -0.34 -0.28 0.00 -0.36 0.00 0.00 55.97 55.35 2gtj s LYS 32 Cb -0.11 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2gtj s LYS 32 CO 0.29 0.27 1.80 0.00 -0.36 0.00 0.00 175.35 177.35 2gtj s ALA 33 N 0.37 2.94 -0.53 3.13 0.00 -1.26 -0.79 121.76 125.62 2gtj s ALA 33 Ca 0.03 0.34 0.24 0.00 0.00 0.00 0.00 51.96 52.57 2gtj s ALA 33 Cb -0.12 -3.99 0.48 0.00 0.00 0.00 0.00 23.12 19.48 2gtj s ALA 33 CO 0.00 -2.52 1.64 0.00 0.00 0.00 0.00 175.76 174.88 2gtj s ASP 36 N -2.16 6.22 0.32 0.00 -4.77 -1.26 -3.13 116.67 111.90 2gtj s ASP 36 Ca -0.04 -0.94 0.09 0.00 -3.30 0.00 0.00 52.55 48.36 2gtj s ASP 36 Cb -0.01 -2.30 -0.05 0.00 -1.09 0.00 0.00 42.92 39.48 2gtj s ASP 36 CO -0.05 -0.92 0.02 0.54 0.70 0.00 0.00 175.17 175.46 2gtj s VAL 37 N 2.68 2.88 -1.20 2.11 0.11 -0.75 -4.90 120.40 121.33 2gtj s VAL 37 Ca 0.15 -1.93 0.14 0.00 -2.93 0.00 0.00 61.98 57.41 2gtj s VAL 37 Cb -0.19 -2.81 0.41 0.00 -1.53 0.00 0.00 36.38 32.25 2gtj s VAL 37 CO 0.12 -0.25 1.34 2.29 -3.33 0.00 0.00 175.10 175.27 2gtj n LYS 38 N -0.96 2.85 0.00 1.54 2.85 -1.26 -1.41 118.16 121.77 2gtj n LYS 38 Ca -0.05 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 54.98 2gtj n LYS 38 Cb 0.61 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 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 0.82 0.89 3.55 2.58 0.00 -0.84 -4.34 105.19 107.85 2gtj n GLY 39 Ca 0.15 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.97 0.69 -0.48 -0.02 0.00 -1.26 -3.82 107.32 100.46 2gtj s GLY 40 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.43 2gtj s GLY 40 CO 0.00 2.87 0.57 1.17 0.00 0.00 0.00 173.10 177.72 2gtj n LYS 41 N 9.31 -1.86 -3.14 2.90 4.81 -1.26 -4.44 118.16 124.49 2gtj n LYS 41 Ca 0.09 1.80 -0.03 0.00 -0.87 0.00 0.00 58.31 59.29 2gtj n LYS 41 Cb 0.50 -5.31 0.00 0.00 0.02 0.00 0.00 35.03 30.24 2gtj n LYS 41 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2gtj n ASN 42 N -0.75 -7.47 -2.09 3.14 5.15 -1.25 -5.03 115.26 106.96 2gtj n ASN 42 Ca 0.07 -0.14 -0.09 0.00 -0.60 0.00 0.00 54.58 53.82 2gtj n ASN 42 Cb 0.44 -4.90 -0.02 0.00 -0.53 0.00 0.00 39.78 34.77 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2gtj n GLU 43 N -1.79 0.32 -3.76 1.20 2.13 -1.26 -4.61 120.64 112.87 2gtj n GLU 43 Ca -0.03 -1.57 -0.28 0.00 0.66 0.00 0.00 57.16 55.94 2gtj n GLU 43 Cb 0.52 1.42 -0.03 0.00 0.27 0.00 0.00 31.44 33.62 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 4.26 -0.20 4.31 0.20 -1.21 -4.41 118.68 121.62 2gtj s LEU 44 Ca 0.17 0.37 -0.09 0.00 0.69 0.00 0.00 54.13 55.27 2gtj s LEU 44 Cb 0.00 -3.12 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 2gtj s LEU 44 CO 0.12 0.00 0.10 -0.94 -0.29 0.00 0.00 176.35 175.34 2gtj s SER 45 N -3.04 5.82 0.29 3.68 1.04 -1.26 -2.00 113.70 118.24 2gtj s SER 45 Ca 0.38 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.71 2gtj s SER 45 Cb -0.11 -2.02 0.02 0.00 0.10 0.00 0.00 66.02 64.01 2gtj s SER 45 CO 0.28 0.13 0.70 0.72 0.98 0.00 0.00 173.24 176.05 2gtj s PHE 46 N 0.62 -0.06 0.02 5.02 -0.12 -0.50 -4.96 117.98 118.00 2gtj s PHE 46 Ca 0.05 -0.41 0.09 0.00 -0.05 0.00 0.00 56.93 56.61 2gtj s PHE 46 Cb -0.13 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 2gtj s PHE 46 CO 0.01 -1.25 -0.26 0.15 -0.05 0.00 0.00 175.22 173.82 2gtj s LYS 47 N -3.70 1.87 0.02 1.99 1.02 -1.26 -1.81 119.74 117.87 2gtj s LYS 47 Ca 0.13 -1.03 -0.34 0.00 0.02 0.00 0.00 55.97 54.75 2gtj s LYS 47 Cb -0.05 -1.96 -0.13 0.00 -0.52 0.00 0.00 37.83 35.17 2gtj s LYS 47 CO 0.08 0.52 1.74 0.00 -0.92 0.00 0.00 175.35 176.77 2gtj n GLN 48 N 2.03 2.14 -0.17 1.68 10.64 -1.18 -0.64 117.38 131.87 2gtj n GLN 48 Ca -0.17 0.78 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 2gtj n GLN 48 Cb 0.52 -2.59 0.00 0.00 -0.86 0.00 0.00 30.24 27.31 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2gtj n GLY 49 N 3.95 0.91 0.25 2.61 0.00 -0.79 -4.94 105.19 107.18 2gtj n GLY 49 Ca 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 3.37 0.75 -3.81 1.61 4.57 -1.13 -3.48 114.58 116.46 2gtj h GLU 50 Ca 0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2gtj h GLU 50 Cb 0.00 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 2gtj h GLU 50 CO 0.00 1.01 -0.71 0.94 -1.18 0.00 0.00 179.01 179.07 2gtj n GLN 51 N -4.04 -2.29 -4.05 1.92 -0.06 -1.26 -4.99 117.38 102.61 2gtj n GLN 51 Ca -0.02 1.96 -0.25 0.00 -2.00 0.00 0.00 57.00 56.69 2gtj n GLN 51 Cb 0.53 -2.87 -0.05 0.00 -4.06 0.00 0.00 30.24 23.80 2gtj n GLN 51 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2gtj s ILE 52 N -0.31 4.69 -0.15 1.69 1.01 0.22 -4.85 121.20 123.51 2gtj s ILE 52 Ca -0.11 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2gtj s ILE 52 Cb 0.01 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 2gtj s ILE 52 CO 0.30 -0.16 -0.15 -1.61 0.00 0.00 0.00 174.94 173.32 2gtj s GLU 53 N -3.30 3.24 -0.28 2.79 2.02 -0.96 0.82 118.70 123.03 2gtj s GLU 53 Ca 0.32 -0.74 -0.24 0.00 0.02 0.00 0.00 54.97 54.32 2gtj s GLU 53 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.52 2gtj s GLU 53 CO 0.25 0.06 0.83 -1.50 0.02 0.00 0.00 175.26 174.92 2gtj s ILE 54 N 0.70 4.78 -0.20 -1.63 1.10 0.32 -1.54 121.20 124.74 2gtj s ILE 54 Ca -0.07 1.37 0.04 0.00 -0.51 0.00 0.00 60.65 61.48 2gtj s ILE 54 Cb -0.16 -4.16 -0.15 0.00 0.15 0.00 0.00 42.46 38.15 2gtj s ILE 54 CO 0.02 -0.21 -0.14 2.30 -2.11 0.00 0.00 174.94 174.80 2gtj n ILE 55 N 5.47 1.17 -4.30 2.00 -0.00 -0.27 0.36 119.36 123.78 2gtj n ILE 55 Ca 0.05 -0.49 -0.21 0.00 -0.00 0.00 0.00 62.75 62.10 2gtj n ILE 55 Cb 0.48 -1.12 -0.16 0.00 -0.00 0.00 0.00 39.64 38.83 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 -2.41 1.07 0.00 6.28 6.06 -1.12 -4.53 118.95 124.31 2gtj s ARG 56 Ca -0.24 -0.21 0.00 0.00 -2.50 0.00 0.00 55.73 52.78 2gtj s ARG 56 Cb 0.07 -0.98 0.00 0.00 0.06 0.00 0.00 34.95 34.09 2gtj s ARG 56 CO 0.51 -0.03 0.00 0.44 -2.50 0.00 0.00 175.30 173.72 2gtj n ILE 57 N 3.89 0.00 -3.06 4.11 -0.00 -1.26 -1.14 119.36 121.90 2gtj n ILE 57 Ca -0.24 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.14 2gtj n ILE 57 Cb 0.51 -0.61 -0.06 0.00 -0.00 0.00 0.00 39.64 39.48 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 -1.71 4.51 -0.75 7.28 -4.23 -1.26 -4.12 115.64 115.36 2gtj s THR 58 Ca 0.00 1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 61.89 2gtj s THR 58 Cb 0.00 -3.92 -0.02 0.00 1.34 0.00 0.00 72.50 69.91 2gtj s THR 58 CO 0.00 0.26 0.63 -0.67 -0.54 0.00 0.00 174.62 174.30 2gtj n ASP 59 N 0.88 -3.05 -4.55 3.99 2.03 -1.26 -5.00 116.55 109.58 2gtj n ASP 59 Ca -0.03 -0.42 -0.41 0.00 0.52 0.00 0.00 54.79 54.45 2gtj n ASP 59 Cb 0.51 -3.53 -0.08 0.00 -0.72 0.00 0.00 41.12 37.29 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 -3.67 6.28 -0.02 1.67 2.20 -1.26 -4.88 114.94 115.27 2gtj s ASN 60 Ca 0.10 -0.09 -0.24 0.00 -0.94 0.00 0.00 52.86 51.70 2gtj s ASN 60 Cb -0.01 -2.25 -0.17 0.00 -2.00 0.00 0.00 41.25 36.82 2gtj s ASN 60 CO 0.48 -0.45 1.11 -0.65 -2.94 0.00 0.00 177.10 174.65 2gtj h PRO 61 N 8.47 -0.26 -0.56 3.55 0.11 -1.89 -3.29 132.00 138.13 2gtj h PRO 61 Ca -0.28 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 2gtj h PRO 61 Cb 1.13 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2gtj h PRO 61 CO 0.76 0.13 -0.04 1.49 -0.21 0.00 0.00 178.00 180.13 2gtj h GLU 62 N -0.74 1.01 0.00 1.05 4.57 -1.93 -3.46 114.58 115.08 2gtj h GLU 62 Ca -0.03 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2gtj h GLU 62 Cb 0.50 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2gtj h GLU 62 CO 0.04 1.03 0.00 0.41 -1.18 0.00 0.00 179.01 179.31 2gtj n GLY 63 N -0.35 2.30 3.82 1.92 0.00 -1.24 -5.09 105.19 106.54 2gtj n GLY 63 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.28 2.50 0.42 1.61 -2.85 -1.26 -4.87 119.74 115.01 2gtj s LYS 64 Ca 0.00 0.69 0.02 0.00 -1.00 0.00 0.00 55.97 55.68 2gtj s LYS 64 Cb 0.00 -1.96 -0.00 0.00 -2.06 0.00 0.00 37.83 33.80 2gtj s LYS 64 CO 0.00 -1.34 0.61 -1.58 0.10 0.00 0.00 175.35 173.14 2gtj s TRP 65 N -3.17 3.18 -0.28 1.78 0.51 0.55 -4.85 118.94 116.66 2gtj s TRP 65 Ca 0.59 0.09 -0.04 0.00 -2.12 0.00 0.00 56.10 54.62 2gtj s TRP 65 Cb -0.14 -2.23 0.02 0.00 -0.81 0.00 0.00 33.47 30.32 2gtj s TRP 65 CO 0.54 -0.27 0.02 -1.17 -0.51 0.00 0.00 176.95 175.56 2gtj s LEU 66 N -4.44 3.67 0.21 2.99 2.96 -0.29 -0.28 118.68 123.50 2gtj s LEU 66 Ca 0.48 -0.89 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 2gtj s LEU 66 Cb -0.10 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2gtj s LEU 66 CO 0.36 -0.19 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.23 2gtj s GLY 67 N 1.39 1.45 0.09 7.98 0.00 -1.25 -1.11 107.32 115.87 2gtj s GLY 67 Ca 0.00 -1.67 0.05 0.00 0.00 0.00 0.00 44.72 43.09 2gtj s GLY 67 CO -0.00 -1.76 -0.12 -1.60 0.00 0.00 0.00 173.10 169.61 2gtj s ARG 68 N -3.65 0.85 0.33 2.90 3.52 -0.59 -1.66 118.95 120.66 2gtj s ARG 68 Ca 0.23 -1.07 0.09 0.00 -0.13 0.00 0.00 55.73 54.84 2gtj s ARG 68 Cb -0.00 -0.72 -0.04 0.00 -1.56 0.00 0.00 34.95 32.62 2gtj s ARG 68 CO 0.07 0.14 0.10 0.99 -0.81 0.00 0.00 175.30 175.79 2gtj s THR 69 N -1.84 2.97 0.42 4.11 2.01 -0.79 -2.27 115.64 120.25 2gtj s THR 69 Ca 0.02 -1.78 0.30 0.00 0.31 0.00 0.00 61.69 60.54 2gtj s THR 69 Cb -0.07 -2.93 0.30 0.00 0.01 0.00 0.00 72.50 69.82 2gtj s THR 69 CO 0.02 -0.20 1.90 0.00 -0.69 0.00 0.00 174.62 175.65 2gtj h ALA 70 N 1.64 1.16 0.00 7.40 0.00 -1.91 0.25 119.26 127.80 2gtj h ALA 70 Ca -0.44 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2gtj h ALA 70 Cb 1.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2gtj h ALA 70 CO 0.64 -0.16 -0.75 -0.09 0.00 0.00 0.00 179.25 178.89 2gtj h ARG 71 N 0.00 0.00 -0.65 0.00 1.12 -2.02 -3.48 114.38 109.35 2gtj h ARG 71 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2gtj h ARG 71 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2gtj h ARG 71 CO 0.00 0.42 0.00 0.41 -3.11 0.00 0.00 179.97 177.69 2gtj n GLY 72 N 1.27 -0.06 3.17 2.80 0.00 0.87 -5.10 105.19 108.13 2gtj n GLY 72 Ca -0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.13 -0.11 -0.84 1.61 0.01 -1.24 -4.82 113.70 108.17 2gtj s SER 73 Ca 0.00 0.79 -0.03 0.00 1.31 0.00 0.00 55.95 58.02 2gtj s SER 73 Cb 0.00 1.26 0.21 0.00 0.21 0.00 0.00 66.02 67.70 2gtj s SER 73 CO 0.00 -0.25 0.72 -0.31 0.41 0.00 0.00 173.24 173.81 2gtj s TYR 74 N 2.59 3.79 -0.62 2.43 1.51 -1.25 -1.89 117.35 123.90 2gtj s TYR 74 Ca 0.02 -2.89 -0.16 0.00 -1.01 0.00 0.00 57.07 53.04 2gtj s TYR 74 Cb -0.13 -3.29 0.15 0.00 -0.11 0.00 0.00 41.96 38.58 2gtj s TYR 74 CO -0.13 -0.78 0.58 0.20 -1.11 0.00 0.00 175.55 174.30 2gtj s GLY 75 N 0.24 2.23 -0.94 0.71 0.00 -0.66 -4.83 107.32 104.07 2gtj s GLY 75 Ca 0.25 -2.74 -0.32 0.00 0.00 0.00 0.00 44.72 41.91 2gtj s GLY 75 CO -0.10 1.23 2.65 -1.72 0.00 0.00 0.00 173.10 175.16 2gtj n TYR 76 N 4.94 0.64 -2.88 1.90 4.02 -1.26 -3.32 117.16 121.20 2gtj n TYR 76 Ca -0.06 0.40 -0.34 0.00 -0.01 0.00 0.00 57.90 57.88 2gtj n TYR 76 Cb 0.42 -2.38 -0.07 0.00 -0.02 0.00 0.00 39.34 37.29 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2gtj s ILE 77 N 8.91 4.40 -0.22 -0.72 -0.00 0.62 -4.09 121.20 130.10 2gtj s ILE 77 Ca 1.33 1.48 -0.29 0.00 -0.00 0.00 0.00 60.65 63.17 2gtj s ILE 77 Cb -1.23 -3.74 -0.00 0.00 -0.00 0.00 0.00 42.46 37.49 2gtj s ILE 77 CO 0.49 -0.13 1.23 -1.59 -0.00 0.00 0.00 174.94 174.95 2gtj s LYS 78 N -2.74 4.14 0.31 0.37 -2.85 -1.26 -0.33 119.74 117.39 2gtj s LYS 78 Ca 0.56 1.47 0.19 0.00 -1.00 0.00 0.00 55.97 57.19 2gtj s LYS 78 Cb -0.12 -3.78 1.13 0.00 -2.06 0.00 0.00 37.83 33.00 2gtj s LYS 78 CO 0.17 -0.82 1.30 0.25 0.10 0.00 0.00 175.35 176.35 2gtj n THR 79 N 5.62 -0.32 0.45 3.79 -2.24 -1.26 0.18 114.28 120.51 2gtj n THR 79 Ca 0.14 1.64 0.06 0.00 -2.27 0.00 0.00 64.05 63.62 2gtj n THR 79 Cb 0.46 -2.67 0.28 0.00 -2.10 0.00 0.00 70.33 66.29 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 -4.78 1.09 1.00 4.28 5.66 -1.26 -2.05 114.28 118.22 2gtj n THR 80 Ca 0.32 0.27 0.11 0.00 -3.05 0.00 0.00 64.05 61.70 2gtj n THR 80 Cb 1.10 -1.05 0.11 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.50 3.99 -2.44 1.79 0.00 0.13 -4.93 120.51 117.54 2gtj n ALA 81 Ca 0.03 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 2gtj n ALA 81 Cb 0.15 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.98 1.45 -0.15 0.00 -7.23 -0.87 -0.86 120.40 109.76 2gtj s VAL 82 Ca 0.10 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2gtj s VAL 82 Cb 0.17 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.54 2gtj s VAL 82 CO 0.76 -0.17 0.05 -1.61 -0.31 0.00 0.00 175.10 173.82 2gtj s GLU 83 N -3.80 0.39 0.68 4.82 2.02 0.03 -4.76 118.70 118.08 2gtj s GLU 83 Ca 0.32 -0.13 -0.11 0.00 0.02 0.00 0.00 54.97 55.07 2gtj s GLU 83 Cb 0.06 -1.64 -0.00 0.00 0.10 0.00 0.00 34.13 32.65 2gtj s GLU 83 CO 0.13 -0.55 1.06 0.96 0.02 0.00 0.00 175.26 176.88 2gtj s ILE 84 N 2.00 4.08 -0.31 -1.63 -4.36 -1.26 0.56 121.20 120.27 2gtj s ILE 84 Ca 0.02 0.71 -0.15 0.00 -0.26 0.00 0.00 60.65 60.96 2gtj s ILE 84 Cb -0.15 -3.45 -0.02 0.00 1.25 0.00 0.00 42.46 40.09 2gtj s ILE 84 CO -0.07 -0.85 0.38 -0.62 0.24 0.00 0.00 174.94 174.02 2gtj s ASP 85 N -3.72 6.22 0.75 4.36 2.15 0.13 -4.82 116.67 121.74 2gtj s ASP 85 Ca 0.58 -0.00 -0.12 0.00 0.43 0.00 0.00 52.55 53.44 2gtj s ASP 85 Cb -0.14 -2.21 0.04 0.00 -0.30 0.00 0.00 42.92 40.32 2gtj s ASP 85 CO 0.53 -0.29 1.11 -0.31 -0.17 0.00 0.00 175.17 176.04 2gtj s TYR 86 N 2.08 3.11 0.17 -5.34 1.51 -1.26 -4.31 117.35 113.31 2gtj s TYR 86 Ca 0.14 1.04 -0.11 0.00 -1.01 0.00 0.00 57.07 57.13 2gtj s TYR 86 Cb -0.16 -3.14 0.07 0.00 -0.11 0.00 0.00 41.96 38.62 2gtj s TYR 86 CO 0.11 -1.46 1.70 -0.44 -1.11 0.00 0.00 175.55 174.35 2gtj h ASP 87 N -0.86 0.88 -3.33 2.29 5.19 -1.97 -3.41 116.42 115.22 2gtj h ASP 87 Ca -0.46 -0.21 -0.67 0.00 -0.62 0.00 0.00 57.03 55.07 2gtj h ASP 87 Cb 1.27 -0.23 -0.14 0.00 0.18 0.00 0.00 39.33 40.41 2gtj h ASP 87 CO 0.63 0.86 -0.63 -0.94 -3.12 0.00 0.00 179.24 176.04 2gtj s SER 88 N -6.22 5.21 -0.56 6.45 1.04 -1.26 -5.07 113.70 113.29 2gtj s SER 88 Ca -0.13 0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.20 2gtj s SER 88 Cb 0.13 -1.42 0.10 0.00 0.10 0.00 0.00 66.02 64.92 2gtj s SER 88 CO 0.81 0.33 0.64 -0.22 0.98 0.00 0.00 173.24 175.78 2gtj s LEU 89 N -1.23 5.43 0.00 2.42 0.20 -1.26 -4.98 118.68 119.26 2gtj s LEU 89 Ca 0.17 -1.37 0.00 0.00 0.69 0.00 0.00 54.13 53.62 2gtj s LEU 89 Cb -0.11 -2.31 0.00 0.00 -0.43 0.00 0.00 46.19 43.34 2gtj s LEU 89 CO 0.06 -1.00 0.00 0.29 -0.29 0.00 0.00 176.35 175.42 2gtj n LYS 90 N 6.06 1.83 -4.18 1.98 4.01 -1.26 -5.16 118.16 121.44 2gtj n LYS 90 Ca -0.10 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.44 2gtj n LYS 90 Cb 0.43 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.88 2gtj n LYS 90 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2gtj s LEU 91 N 0.00 3.43 -0.14 -0.35 1.43 -1.26 -5.00 118.68 116.79 2gtj s LEU 91 Ca 0.00 -0.35 0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2gtj s LEU 91 Cb 0.00 -2.06 0.33 0.00 0.03 0.00 0.00 46.19 44.49 2gtj s LEU 91 CO 0.00 0.07 1.19 1.17 0.23 0.00 0.00 176.35 179.01 2gtj n LYS 92 N -0.25 1.49 -3.63 1.70 0.00 -1.26 -4.66 118.16 111.55 2gtj n LYS 92 Ca -0.09 -2.68 -0.16 0.00 0.00 0.00 0.00 58.31 55.38 2gtj n LYS 92 Cb 0.55 -1.55 -0.07 0.00 0.00 0.00 0.00 35.03 33.96 2gtj n LYS 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2gtj s LYS 93 N -2.91 0.88 0.00 1.64 2.20 -1.26 -4.85 119.74 115.44 2gtj s LYS 93 Ca 0.34 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2gtj s LYS 93 Cb 0.30 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 37.02 2gtj s LYS 93 CO 0.03 -0.26 0.00 -0.25 -0.36 0.00 0.00 175.35 174.50 2gtj n ASP 94 N 1.08 0.00 0.01 1.43 8.00 -1.26 -4.61 116.55 121.20 2gtj n ASP 94 Ca -0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.29 2gtj n ASP 94 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2gtj n ASP 94 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2gtj h LEU 95 N 0.00 -0.03 -0.54 0.64 5.85 -1.91 -3.52 115.31 115.80 2gtj h LEU 95 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2gtj h LEU 95 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2gtj h LEU 95 CO 0.00 -0.01 0.00 -0.62 -0.34 0.00 0.00 178.44 177.47