#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 0.67 0.00 5.31 2.36 -1.26 -4.96 119.74 121.87 2gtj s LYS 2 Ca 0.00 1.17 0.00 0.00 -2.55 0.00 0.00 55.97 54.59 2gtj s LYS 2 Cb 0.00 0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.90 2gtj s LYS 2 CO 0.00 -0.15 0.00 1.17 1.55 0.00 0.00 175.35 177.92 2gtj n LYS 3 N 4.28 0.00 -3.21 4.03 4.81 -1.26 -4.88 118.16 121.93 2gtj n LYS 3 Ca -0.20 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.85 2gtj n LYS 3 Cb 0.58 -0.06 -0.06 0.00 0.02 0.00 0.00 35.03 35.52 2gtj n LYS 3 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2gtj s GLU 4 N 0.00 4.36 0.06 1.64 2.12 -1.26 -4.86 118.70 120.76 2gtj s GLU 4 Ca 0.00 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.93 2gtj s GLU 4 Cb 0.00 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.94 2gtj s GLU 4 CO 0.00 0.09 0.00 0.94 -0.54 0.00 0.00 175.26 175.75 2gtj n GLN 5 N 3.83 -0.51 -4.65 4.30 7.27 -1.26 -4.94 117.38 121.42 2gtj n GLN 5 Ca -0.05 0.38 -0.32 0.00 0.07 0.00 0.00 57.00 57.09 2gtj n GLN 5 Cb 0.51 -0.43 -0.07 0.00 2.41 0.00 0.00 30.24 32.66 2gtj n GLN 5 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2gtj s LYS 6 N -5.40 2.17 -0.59 3.69 1.02 -1.26 -4.91 119.74 114.45 2gtj s LYS 6 Ca 0.00 -2.32 0.03 0.00 0.02 0.00 0.00 55.97 53.71 2gtj s LYS 6 Cb 0.00 -1.61 0.15 0.00 -0.52 0.00 0.00 37.83 35.85 2gtj s LYS 6 CO 0.00 -0.34 0.35 -2.00 -0.92 0.00 0.00 175.35 172.45 2gtj s GLU 7 N -3.89 2.21 0.01 1.68 2.12 -1.26 -4.70 118.70 114.87 2gtj s GLU 7 Ca 0.13 -2.81 0.00 0.00 0.36 0.00 0.00 54.97 52.65 2gtj s GLU 7 Cb 0.02 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 31.00 2gtj s GLU 7 CO 0.07 -1.16 0.00 1.17 -0.54 0.00 0.00 175.26 174.80 2gtj n LYS 8 N 2.85 0.00 -2.44 4.30 3.00 -1.26 -5.04 118.16 119.57 2gtj n LYS 8 Ca 0.09 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.02 2gtj n LYS 8 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.35 2gtj n LYS 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2gtj s GLU 9 N -1.14 3.55 -0.13 1.64 2.56 -1.26 -4.57 118.70 119.35 2gtj s GLU 9 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 54.97 53.18 2gtj s GLU 9 Cb 0.00 -5.44 -0.08 0.00 2.00 0.00 0.00 34.13 30.61 2gtj s GLU 9 CO 0.00 -2.71 0.12 -0.22 -0.56 0.00 0.00 175.26 171.90 2gtj h LYS 10 N 8.39 0.00 -0.50 4.30 3.11 -1.96 -3.47 116.57 126.44 2gtj h LYS 10 Ca 0.36 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.18 2gtj h LYS 10 Cb 0.90 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 31.97 2gtj h LYS 10 CO 1.39 0.32 -0.26 0.21 -2.81 0.00 0.00 179.45 178.31 2gtj s LYS 11 N -1.98 0.51 -0.10 1.90 2.20 -1.26 -5.01 119.74 116.00 2gtj s LYS 11 Ca -0.12 -0.44 0.18 0.00 -0.36 0.00 0.00 55.97 55.24 2gtj s LYS 11 Cb 0.01 -0.01 0.35 0.00 -1.51 0.00 0.00 37.83 36.67 2gtj s LYS 11 CO 0.27 -0.65 1.16 -0.85 -0.36 0.00 0.00 175.35 174.93 2gtj n GLU 12 N 3.02 0.56 0.22 4.03 0.28 -1.26 -4.89 120.64 122.61 2gtj n GLU 12 Ca 0.12 -2.02 0.12 0.00 -0.16 0.00 0.00 57.16 55.23 2gtj n GLU 12 Cb 0.61 -0.20 0.23 0.00 1.43 0.00 0.00 31.44 33.51 2gtj n GLU 12 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2gtj h GLN 13 N 1.14 0.00 0.00 3.44 5.75 -1.98 -3.07 115.11 120.39 2gtj h GLN 13 Ca -0.31 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.17 2gtj h GLN 13 Cb 1.57 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.12 2gtj h GLN 13 CO -0.01 0.02 -0.06 0.93 -2.65 0.00 0.00 178.83 177.06 2gtj h GLU 14 N 0.00 0.00 0.00 1.69 3.07 -2.00 -1.11 114.58 116.22 2gtj h GLU 14 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2gtj h GLU 14 Cb 0.95 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 2gtj h GLU 14 CO 0.00 0.06 -1.06 0.44 -1.40 0.00 0.00 179.01 177.05 2gtj n ILE 15 N -3.98 0.67 0.16 3.13 -6.64 -1.16 -3.54 119.36 108.01 2gtj n ILE 15 Ca -0.03 -0.56 -0.13 0.00 -1.77 0.00 0.00 62.75 60.26 2gtj n ILE 15 Cb 0.15 -0.37 -0.08 0.00 -1.44 0.00 0.00 39.64 37.90 2gtj n ILE 15 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 2gtj h LYS 16 N 0.00 -0.41 0.00 6.28 1.79 -1.30 -1.26 116.57 121.67 2gtj h LYS 16 Ca -0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2gtj h LYS 16 Cb 1.06 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2gtj h LYS 16 CO 0.00 -0.09 0.00 1.63 -1.08 0.00 0.00 179.45 179.91 2gtj n LYS 17 N -5.14 1.00 -0.12 3.15 5.02 -1.18 -1.13 118.16 119.76 2gtj n LYS 17 Ca -0.10 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.97 2gtj n LYS 17 Cb 0.27 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.90 0.56 -0.01 1.97 3.00 -1.01 -4.62 118.16 117.16 2gtj n LYS 18 Ca 0.19 0.28 -0.05 0.00 -0.00 0.00 0.00 58.31 58.74 2gtj n LYS 18 Cb 0.09 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.50 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 -4.34 0.89 -1.65 5.64 7.35 -0.51 -4.98 117.46 119.86 2gtj n PHE 19 Ca -0.39 0.31 -0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2gtj n PHE 19 Cb 0.74 -1.12 -0.00 0.00 0.35 0.00 0.00 39.48 39.45 2gtj n PHE 19 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2gtj n LYS 20 N -2.94 -0.43 -0.13 -4.13 4.81 -0.29 -4.66 118.16 110.40 2gtj n LYS 20 Ca -0.15 0.78 -0.19 0.00 -0.87 0.00 0.00 58.31 57.88 2gtj n LYS 20 Cb 0.96 -1.53 -0.11 0.00 0.02 0.00 0.00 35.03 34.37 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 2.80 -0.78 3.14 7.99 -1.23 -4.92 117.00 124.08 2gtj n LEU 21 Ca -0.00 -0.06 -0.10 0.00 -0.01 0.00 0.00 56.01 55.84 2gtj n LEU 21 Cb 0.00 -0.85 -0.04 0.00 -0.11 0.00 0.00 43.42 42.42 2gtj n LEU 21 CO 0.05 0.86 -0.10 0.35 -1.51 0.00 0.00 177.39 177.04 2gtj n THR 22 N -3.38 0.00 0.00 -5.08 -2.24 -1.26 -4.85 114.28 97.47 2gtj n THR 22 Ca -0.45 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2gtj n THR 22 Cb 0.95 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 -0.54 0.40 3.56 3.38 0.00 -1.26 -5.07 105.19 105.66 2gtj n GLY 23 Ca -0.10 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 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 2.90 0.02 1.61 0.02 -1.26 -4.95 135.00 131.34 2gtj s PRO 24 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 61.00 60.37 2gtj s PRO 24 Cb 0.00 -4.94 -0.04 0.00 0.02 0.00 0.00 34.50 29.54 2gtj s PRO 24 CO 0.00 -2.84 1.03 0.42 -0.33 0.00 0.00 177.00 175.28 2gtj s ILE 25 N 8.13 4.66 0.52 2.83 -1.09 -1.26 -5.03 121.20 129.94 2gtj s ILE 25 Ca 0.60 1.92 0.08 0.00 -2.23 0.00 0.00 60.65 61.02 2gtj s ILE 25 Cb -0.06 -4.23 0.04 0.00 -1.58 0.00 0.00 42.46 36.63 2gtj s ILE 25 CO 0.02 0.16 0.55 0.00 -1.23 0.00 0.00 174.94 174.44 2gtj s GLN 26 N 0.95 2.39 0.25 2.79 -2.07 -1.26 -4.95 119.66 117.76 2gtj s GLN 26 Ca 0.53 -1.70 -0.30 0.00 -1.82 0.00 0.00 55.36 52.07 2gtj s GLN 26 Cb -0.23 -2.42 -0.11 0.00 -1.09 0.00 0.00 33.01 29.16 2gtj s GLN 26 CO 0.28 -0.58 1.53 0.08 -1.32 0.00 0.00 175.29 175.28 2gtj s VAL 27 N -2.63 2.40 -0.21 3.63 1.01 -1.26 -4.47 120.40 118.86 2gtj s VAL 27 Ca 0.49 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.86 2gtj s VAL 27 Cb -0.04 -3.21 -0.18 0.00 0.00 0.00 0.00 36.38 32.95 2gtj s VAL 27 CO 0.30 0.05 -0.12 -0.38 0.00 0.00 0.00 175.10 174.95 2gtj n ILE 28 N 2.57 1.30 -3.81 2.22 2.08 0.60 -4.97 119.36 119.33 2gtj n ILE 28 Ca 0.09 -0.59 -0.03 0.00 0.56 0.00 0.00 62.75 62.77 2gtj n ILE 28 Cb 0.39 -1.05 0.02 0.00 -0.75 0.00 0.00 39.64 38.24 2gtj n ILE 28 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2gtj n HIS 29 N -3.01 -1.27 -4.64 1.39 8.25 -1.10 -5.02 115.22 109.82 2gtj n HIS 29 Ca -0.37 -1.08 -0.34 0.00 -0.26 0.00 0.00 57.72 55.67 2gtj n HIS 29 Cb 0.99 0.53 -0.11 0.00 1.12 0.00 0.00 29.99 32.51 2gtj n HIS 29 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2gtj s LEU 30 N 0.00 3.13 0.24 2.41 2.01 -1.26 -0.49 118.68 124.71 2gtj s LEU 30 Ca 0.19 -0.04 0.09 0.00 0.01 0.00 0.00 54.13 54.38 2gtj s LEU 30 Cb -0.02 -1.68 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 2gtj s LEU 30 CO 0.05 0.35 -0.01 0.00 1.01 0.00 0.00 176.35 177.76 2gtj s ALA 31 N -0.76 3.16 -0.16 4.21 0.00 0.22 0.44 121.76 128.87 2gtj s ALA 31 Ca 0.12 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.46 2gtj s ALA 31 Cb -0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2gtj s ALA 31 CO 0.01 0.33 0.00 0.21 0.00 0.00 0.00 175.76 176.31 2gtj s LYS 32 N -3.44 3.76 -0.22 0.00 2.20 0.17 0.75 119.74 122.96 2gtj s LYS 32 Ca 0.30 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.17 2gtj s LYS 32 Cb -0.07 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2gtj s LYS 32 CO 0.19 0.28 1.91 0.00 -0.36 0.00 0.00 175.35 177.37 2gtj s ALA 33 N 0.30 3.02 -0.45 3.13 0.00 -1.26 -0.65 121.76 125.86 2gtj s ALA 33 Ca -0.01 0.62 0.23 0.00 0.00 0.00 0.00 51.96 52.81 2gtj s ALA 33 Cb -0.13 -3.97 0.33 0.00 0.00 0.00 0.00 23.12 19.35 2gtj s ALA 33 CO 0.02 -2.36 1.51 0.00 0.00 0.00 0.00 175.76 174.92 2gtj s ASP 36 N -2.44 6.20 0.03 0.00 -4.77 -1.26 -3.39 116.67 111.04 2gtj s ASP 36 Ca -0.01 -0.85 0.05 0.00 -3.30 0.00 0.00 52.55 48.45 2gtj s ASP 36 Cb 0.02 -2.24 -0.03 0.00 -1.09 0.00 0.00 42.92 39.58 2gtj s ASP 36 CO -0.07 -0.69 -0.11 0.54 0.70 0.00 0.00 175.17 175.53 2gtj s VAL 37 N 2.22 3.28 -1.65 2.11 0.11 -0.79 -4.90 120.40 120.78 2gtj s VAL 37 Ca 0.12 -1.00 0.12 0.00 -2.93 0.00 0.00 61.98 58.29 2gtj s VAL 37 Cb -0.19 -2.43 0.41 0.00 -1.53 0.00 0.00 36.38 32.65 2gtj s VAL 37 CO 0.12 0.33 1.30 2.29 -3.33 0.00 0.00 175.10 175.82 2gtj n LYS 38 N 1.44 2.32 -2.23 1.54 0.00 -1.26 -1.30 118.16 118.66 2gtj n LYS 38 Ca -0.15 -1.64 -0.01 0.00 -0.00 0.00 0.00 58.31 56.51 2gtj n LYS 38 Cb 0.52 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 34.07 2gtj n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gtj n GLY 39 N 0.99 0.54 3.91 2.58 0.00 -1.15 -4.49 105.19 107.58 2gtj n GLY 39 Ca 0.15 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.06 2.08 -1.01 -0.02 0.00 -1.26 -3.47 107.32 100.58 2gtj s GLY 40 Ca 0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 2gtj s GLY 40 CO 0.04 -0.65 0.13 1.17 0.00 0.00 0.00 173.10 173.79 2gtj n LYS 41 N -0.12 -1.68 -2.95 2.90 4.81 -1.26 -3.07 118.16 116.79 2gtj n LYS 41 Ca -0.04 0.58 -0.11 0.00 -0.87 0.00 0.00 58.31 57.87 2gtj n LYS 41 Cb 0.52 -4.73 0.05 0.00 0.02 0.00 0.00 35.03 30.89 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 -0.51 -2.97 -3.55 3.14 4.05 -1.26 -5.06 115.26 109.12 2gtj n ASN 42 Ca -0.12 -0.35 -0.12 0.00 0.45 0.00 0.00 54.58 54.45 2gtj n ASN 42 Cb 0.60 -3.19 0.02 0.00 1.23 0.00 0.00 39.78 38.44 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2gtj n GLU 43 N -2.95 0.89 -3.67 1.20 4.07 -1.17 -4.28 120.64 114.72 2gtj n GLU 43 Ca -0.10 -1.73 -0.33 0.00 -0.06 0.00 0.00 57.16 54.94 2gtj n GLU 43 Cb 0.58 -0.01 -0.05 0.00 -0.06 0.00 0.00 31.44 31.89 2gtj n GLU 43 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2gtj s LEU 44 N 0.00 4.31 -0.34 4.31 0.20 -1.24 -4.56 118.68 121.37 2gtj s LEU 44 Ca 0.27 0.63 -0.16 0.00 0.69 0.00 0.00 54.13 55.55 2gtj s LEU 44 Cb -0.02 -3.07 -0.01 0.00 -0.43 0.00 0.00 46.19 42.66 2gtj s LEU 44 CO 0.17 0.13 0.41 -0.44 -0.29 0.00 0.00 176.35 176.33 2gtj s SER 45 N -2.09 6.22 0.34 3.68 0.01 -1.26 -2.94 113.70 117.66 2gtj s SER 45 Ca 0.36 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.42 2gtj s SER 45 Cb -0.13 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.89 2gtj s SER 45 CO 0.21 -0.37 0.53 0.72 0.41 0.00 0.00 173.24 174.74 2gtj s PHE 46 N 2.13 0.84 0.10 2.43 -0.12 -0.42 -4.91 117.98 118.02 2gtj s PHE 46 Ca 0.14 -1.16 0.08 0.00 -0.05 0.00 0.00 56.93 55.95 2gtj s PHE 46 Cb -0.16 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 2gtj s PHE 46 CO 0.12 -1.19 -0.21 0.15 -0.05 0.00 0.00 175.22 174.04 2gtj s LYS 47 N -3.03 1.16 -0.02 1.99 -0.14 -1.26 -1.89 119.74 116.55 2gtj s LYS 47 Ca 0.27 -1.15 -0.34 0.00 -1.36 0.00 0.00 55.97 53.39 2gtj s LYS 47 Cb -0.01 -1.42 -0.12 0.00 -1.68 0.00 0.00 37.83 34.60 2gtj s LYS 47 CO 0.18 0.33 1.82 0.94 -0.76 0.00 0.00 175.35 177.86 2gtj n GLN 48 N 1.14 2.26 -1.15 1.68 0.00 -1.22 -0.96 117.38 119.13 2gtj n GLN 48 Ca -0.19 0.82 0.00 0.00 -0.00 0.00 0.00 57.00 57.63 2gtj n GLN 48 Cb 0.53 -2.66 0.00 0.00 0.00 0.00 0.00 30.24 28.11 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gtj n GLY 49 N 4.20 0.55 0.13 1.69 0.00 0.22 -4.95 105.19 107.02 2gtj n GLY 49 Ca 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2gtj n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gtj h GLU 50 N 0.00 0.00 -3.18 1.61 4.39 -1.29 -3.47 114.58 112.64 2gtj h GLU 50 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2gtj h GLU 50 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2gtj h GLU 50 CO 0.00 0.62 -0.36 0.94 -1.16 0.00 0.00 179.01 179.05 2gtj n GLN 51 N -3.32 -1.33 -4.01 2.33 7.27 -1.26 -4.98 117.38 112.08 2gtj n GLN 51 Ca 0.01 1.35 -0.23 0.00 0.07 0.00 0.00 57.00 58.20 2gtj n GLN 51 Cb 0.75 -1.91 -0.03 0.00 2.41 0.00 0.00 30.24 31.46 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 -0.17 5.01 -0.10 1.69 -1.09 0.23 -4.69 121.20 122.07 2gtj s ILE 52 Ca -0.04 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 2gtj s ILE 52 Cb 0.00 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2gtj s ILE 52 CO 0.12 -0.24 -0.10 -1.61 -1.23 0.00 0.00 174.94 171.87 2gtj s GLU 53 N -3.64 3.11 -0.27 2.79 2.02 0.14 0.69 118.70 123.54 2gtj s GLU 53 Ca 0.33 -0.63 -0.11 0.00 0.02 0.00 0.00 54.97 54.58 2gtj s GLU 53 Cb -0.09 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 2gtj s GLU 53 CO 0.27 0.40 0.19 -1.50 0.02 0.00 0.00 175.26 174.65 2gtj s ILE 54 N -0.12 5.31 -0.15 -1.63 1.10 0.35 -0.76 121.20 125.30 2gtj s ILE 54 Ca -0.00 0.20 -0.11 0.00 -0.51 0.00 0.00 60.65 60.23 2gtj s ILE 54 Cb -0.13 -3.53 -0.07 0.00 0.15 0.00 0.00 42.46 38.88 2gtj s ILE 54 CO 0.03 0.26 -0.25 2.30 -2.11 0.00 0.00 174.94 175.18 2gtj n ILE 55 N 4.90 1.21 -5.19 2.00 -0.00 -0.73 -0.30 119.36 121.26 2gtj n ILE 55 Ca -0.14 -0.07 -0.30 0.00 -0.00 0.00 0.00 62.75 62.25 2gtj n ILE 55 Cb 0.52 -1.91 -0.16 0.00 -0.00 0.00 0.00 39.64 38.09 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 -2.47 2.10 0.00 6.28 3.52 -1.21 -4.45 118.95 122.73 2gtj s ARG 56 Ca -0.24 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 2gtj s ARG 56 Cb 0.07 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 2gtj s ARG 56 CO 0.32 0.46 0.00 0.44 -0.81 0.00 0.00 175.30 175.71 2gtj n ILE 57 N 2.66 0.00 -4.40 4.11 -0.00 -1.26 -0.00 119.36 120.46 2gtj n ILE 57 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.34 2gtj n ILE 57 Cb 0.52 -0.72 -0.10 0.00 -0.00 0.00 0.00 39.64 39.34 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 -1.89 2.76 -0.33 7.28 -4.23 -1.26 -4.69 115.64 113.29 2gtj s THR 58 Ca 0.00 -2.17 -0.00 0.00 -1.18 0.00 0.00 61.69 58.34 2gtj s THR 58 Cb 0.00 -2.43 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 2gtj s THR 58 CO 0.00 -0.33 0.31 -0.67 -0.54 0.00 0.00 174.62 173.39 2gtj n ASP 59 N -0.50 -4.40 -3.78 3.99 2.03 -1.26 -5.10 116.55 107.53 2gtj n ASP 59 Ca -0.07 -0.06 -0.13 0.00 0.52 0.00 0.00 54.79 55.05 2gtj n ASP 59 Cb 0.59 -2.79 -0.10 0.00 -0.72 0.00 0.00 41.12 38.09 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 -2.52 -0.24 0.00 1.67 2.20 -1.26 -4.93 114.94 109.86 2gtj s ASN 60 Ca 0.02 0.35 0.00 0.00 -0.94 0.00 0.00 52.86 52.29 2gtj s ASN 60 Cb -0.00 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 2gtj s ASN 60 CO 0.32 -0.25 0.83 -2.65 -2.94 0.00 0.00 177.10 172.41 2gtj n PRO 61 N 2.20 0.95 -0.01 3.55 -0.02 -1.26 -4.07 135.00 136.34 2gtj n PRO 61 Ca -0.17 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.29 2gtj n PRO 61 Cb 0.57 -1.12 -0.01 0.00 -0.02 0.00 0.00 33.50 32.92 2gtj n PRO 61 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2gtj n GLU 62 N -0.37 0.15 0.00 -0.52 0.00 -1.26 -5.03 120.64 113.61 2gtj n GLU 62 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2gtj n GLU 62 Cb 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 31.44 30.84 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 2.41 0.84 3.94 8.31 0.00 -1.26 -5.13 105.19 114.31 2gtj n GLY 63 Ca -0.04 0.00 -0.24 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 0.00 2.95 0.46 1.61 -2.85 -1.26 -4.77 119.74 115.89 2gtj s LYS 64 Ca 0.00 -0.29 0.06 0.00 -1.00 0.00 0.00 55.97 54.74 2gtj s LYS 64 Cb 0.00 -2.42 0.02 0.00 -2.06 0.00 0.00 37.83 33.37 2gtj s LYS 64 CO 0.00 -0.50 0.63 -1.58 0.10 0.00 0.00 175.35 174.00 2gtj s TRP 65 N -2.77 2.83 -0.30 1.78 0.51 0.89 -4.88 118.94 117.00 2gtj s TRP 65 Ca 0.52 -0.27 -0.02 0.00 -2.12 0.00 0.00 56.10 54.20 2gtj s TRP 65 Cb -0.10 -2.49 0.05 0.00 -0.81 0.00 0.00 33.47 30.11 2gtj s TRP 65 CO 0.41 -0.56 0.01 -1.17 -0.51 0.00 0.00 176.95 175.14 2gtj s LEU 66 N -4.48 3.92 0.21 2.99 2.96 1.00 -0.25 118.68 125.02 2gtj s LEU 66 Ca 0.56 -1.23 0.10 0.00 -0.22 0.00 0.00 54.13 53.33 2gtj s LEU 66 Cb -0.10 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2gtj s LEU 66 CO 0.35 -0.26 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.16 2gtj s GLY 67 N 1.28 1.73 0.06 7.98 0.00 -1.21 -1.77 107.32 115.39 2gtj s GLY 67 Ca -0.05 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.10 2gtj s GLY 67 CO -0.01 -1.62 -0.05 -1.60 0.00 0.00 0.00 173.10 169.82 2gtj s ARG 68 N -3.00 0.62 0.20 2.90 3.52 0.06 -1.99 118.95 121.25 2gtj s ARG 68 Ca 0.26 -1.08 0.08 0.00 -0.13 0.00 0.00 55.73 54.86 2gtj s ARG 68 Cb -0.08 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 2gtj s ARG 68 CO 0.15 -0.04 -0.01 0.99 -0.81 0.00 0.00 175.30 175.58 2gtj s THR 69 N -2.99 3.61 0.50 4.11 2.01 -1.02 0.27 115.64 122.14 2gtj s THR 69 Ca 0.02 -1.57 0.26 0.00 0.31 0.00 0.00 61.69 60.71 2gtj s THR 69 Cb 0.01 -2.85 0.43 0.00 0.01 0.00 0.00 72.50 70.10 2gtj s THR 69 CO -0.05 -0.18 1.90 0.00 -0.69 0.00 0.00 174.62 175.60 2gtj h ALA 70 N 2.49 2.56 0.00 7.40 0.00 -1.93 0.44 119.26 130.22 2gtj h ALA 70 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2gtj h ALA 70 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2gtj h ALA 70 CO 0.58 -0.80 0.00 2.89 0.00 0.00 0.00 179.25 181.92 2gtj n ARG 71 N -4.37 0.34 -2.01 0.00 1.85 -1.26 -4.91 116.66 106.29 2gtj n ARG 71 Ca 0.17 0.08 -0.01 0.00 -1.00 0.00 0.00 57.85 57.08 2gtj n ARG 71 Cb 0.79 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.70 2gtj n ARG 71 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2gtj n GLY 72 N -0.02 -2.64 3.17 2.89 0.00 0.15 -5.07 105.19 103.68 2gtj n GLY 72 Ca 0.09 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.98 -0.13 -0.62 1.61 0.01 -1.24 -4.94 113.70 107.41 2gtj s SER 73 Ca 0.03 0.80 -0.02 0.00 1.31 0.00 0.00 55.95 58.07 2gtj s SER 73 Cb -0.01 1.27 0.16 0.00 0.21 0.00 0.00 66.02 67.65 2gtj s SER 73 CO 0.32 -0.25 0.43 -0.31 0.41 0.00 0.00 173.24 173.84 2gtj s TYR 74 N 2.59 3.38 -0.47 2.43 1.51 -1.26 -2.43 117.35 123.11 2gtj s TYR 74 Ca 0.02 -2.79 -0.11 0.00 -1.01 0.00 0.00 57.07 53.18 2gtj s TYR 74 Cb -0.13 -3.15 0.10 0.00 -0.11 0.00 0.00 41.96 38.67 2gtj s TYR 74 CO -0.13 -0.82 0.35 0.20 -1.11 0.00 0.00 175.55 174.04 2gtj s GLY 75 N 0.52 2.03 -0.76 0.71 0.00 -0.84 -4.85 107.32 104.13 2gtj s GLY 75 Ca 0.17 -2.36 -0.27 0.00 0.00 0.00 0.00 44.72 42.26 2gtj s GLY 75 CO -0.03 1.07 2.53 -1.72 0.00 0.00 0.00 173.10 174.95 2gtj n TYR 76 N 5.01 0.96 -2.88 1.90 4.01 -1.26 -3.33 117.16 121.57 2gtj n TYR 76 Ca -0.10 0.22 -0.39 0.00 -0.16 0.00 0.00 57.90 57.46 2gtj n TYR 76 Cb 0.42 -2.42 -0.06 0.00 -0.31 0.00 0.00 39.34 36.97 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2gtj s ILE 77 N 10.36 4.24 -0.30 -0.72 -4.36 0.65 -4.35 121.20 126.72 2gtj s ILE 77 Ca 1.16 1.86 -0.29 0.00 -0.26 0.00 0.00 60.65 63.12 2gtj s ILE 77 Cb -0.68 -4.21 -0.00 0.00 1.25 0.00 0.00 42.46 38.82 2gtj s ILE 77 CO 0.37 0.49 1.36 -1.59 0.24 0.00 0.00 174.94 175.81 2gtj s LYS 78 N -1.21 3.85 0.38 0.37 -2.85 -1.26 -0.08 119.74 118.94 2gtj s LYS 78 Ca 0.39 1.26 0.30 0.00 -1.00 0.00 0.00 55.97 56.91 2gtj s LYS 78 Cb -0.24 -3.92 1.27 0.00 -2.06 0.00 0.00 37.83 32.88 2gtj s LYS 78 CO 0.28 -1.21 1.28 0.25 0.10 0.00 0.00 175.35 176.06 2gtj n THR 79 N 6.36 -0.16 0.26 3.79 -2.24 -1.26 -0.02 114.28 121.00 2gtj n THR 79 Ca 0.16 1.43 0.13 0.00 -2.27 0.00 0.00 64.05 63.49 2gtj n THR 79 Cb 0.47 -2.35 0.70 0.00 -2.10 0.00 0.00 70.33 67.04 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 0.53 -0.00 4.28 1.03 -1.97 -2.86 112.91 113.91 2gtj h THR 80 Ca 0.73 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 66.52 2gtj h THR 80 Cb 2.49 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.98 2gtj h THR 80 CO -0.31 0.13 -0.17 0.00 -0.01 0.00 0.00 175.52 175.16 2gtj n ALA 81 N -2.26 2.82 -2.23 0.00 0.00 0.97 -4.77 120.51 115.05 2gtj n ALA 81 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 2gtj n ALA 81 Cb 0.27 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.72 0.48 -0.08 0.00 -7.23 -1.08 0.19 120.40 109.96 2gtj s VAL 82 Ca 0.21 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.40 2gtj s VAL 82 Cb 0.19 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.97 2gtj s VAL 82 CO 0.54 -0.38 0.02 -1.61 -0.31 0.00 0.00 175.10 173.36 2gtj s GLU 83 N -3.98 0.41 0.45 4.82 2.02 0.18 -4.73 118.70 117.86 2gtj s GLU 83 Ca 0.27 0.13 -0.23 0.00 0.02 0.00 0.00 54.97 55.16 2gtj s GLU 83 Cb 0.07 -0.97 -0.08 0.00 0.10 0.00 0.00 34.13 33.25 2gtj s GLU 83 CO 0.05 -0.35 1.10 0.96 0.02 0.00 0.00 175.26 177.04 2gtj s ILE 84 N 2.02 3.43 -0.04 -1.63 -5.25 -1.26 0.45 121.20 118.91 2gtj s ILE 84 Ca 0.04 1.04 -0.20 0.00 -0.99 0.00 0.00 60.65 60.55 2gtj s ILE 84 Cb -0.13 -3.51 -0.05 0.00 2.95 0.00 0.00 42.46 41.72 2gtj s ILE 84 CO -0.05 -0.04 0.56 -0.62 -1.79 0.00 0.00 174.94 173.00 2gtj s ASP 85 N -1.55 6.88 0.03 4.36 2.15 0.17 -4.81 116.67 123.91 2gtj s ASP 85 Ca 0.63 1.05 -0.22 0.00 0.43 0.00 0.00 52.55 54.43 2gtj s ASP 85 Cb -0.24 -2.34 -0.06 0.00 -0.30 0.00 0.00 42.92 39.98 2gtj s ASP 85 CO 0.30 0.06 0.66 -0.31 -0.17 0.00 0.00 175.17 175.71 2gtj s TYR 86 N 0.09 3.72 0.37 -5.34 1.51 -1.26 -4.39 117.35 112.04 2gtj s TYR 86 Ca 0.30 1.32 -0.28 0.00 -1.01 0.00 0.00 57.07 57.40 2gtj s TYR 86 Cb -0.17 -2.69 -0.11 0.00 -0.11 0.00 0.00 41.96 38.88 2gtj s TYR 86 CO 0.15 0.35 1.47 0.34 -1.11 0.00 0.00 175.55 176.74 2gtj s ASP 87 N -0.24 6.40 -1.15 2.29 2.15 -1.26 -4.79 116.67 120.07 2gtj s ASP 87 Ca 0.34 3.00 -0.21 0.00 0.43 0.00 0.00 52.55 56.11 2gtj s ASP 87 Cb -0.19 -2.66 -0.06 0.00 -0.30 0.00 0.00 42.92 39.70 2gtj s ASP 87 CO 0.20 -0.83 1.91 -0.24 -0.17 0.00 0.00 175.17 176.04 2gtj n SER 88 N 0.58 3.44 -3.59 -0.34 2.88 -1.26 -4.66 113.62 110.68 2gtj n SER 88 Ca 0.01 -2.75 0.01 0.00 -1.33 0.00 0.00 58.87 54.81 2gtj n SER 88 Cb 0.39 -1.62 -0.01 0.00 -0.75 0.00 0.00 64.21 62.23 2gtj n SER 88 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2gtj s LEU 89 N 7.13 -0.01 0.10 2.46 2.34 -1.26 -5.04 118.68 124.40 2gtj s LEU 89 Ca 0.62 -0.01 0.00 0.00 0.06 0.00 0.00 54.13 54.80 2gtj s LEU 89 Cb 0.04 1.04 0.00 0.00 -0.56 0.00 0.00 46.19 46.71 2gtj s LEU 89 CO 0.11 -0.03 0.00 0.29 -1.06 0.00 0.00 176.35 175.66 2gtj n LYS 90 N -0.31 0.00 -3.37 1.48 5.02 -1.26 -5.06 118.16 114.66 2gtj n LYS 90 Ca -0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 2gtj n LYS 90 Cb 0.61 -0.21 -0.06 0.00 -0.02 0.00 0.00 35.03 35.35 2gtj n LYS 90 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gtj s LEU 91 N -6.25 4.26 -0.06 -0.35 1.43 -1.26 -4.95 118.68 111.50 2gtj s LEU 91 Ca 0.00 1.03 0.18 0.00 -1.03 0.00 0.00 54.13 54.31 2gtj s LEU 91 Cb 0.00 -3.46 0.63 0.00 0.03 0.00 0.00 46.19 43.39 2gtj s LEU 91 CO 0.00 0.02 1.53 1.17 0.23 0.00 0.00 176.35 179.30 2gtj n LYS 92 N 0.40 3.08 -0.04 1.70 4.81 -1.26 -4.04 118.16 122.81 2gtj n LYS 92 Ca -0.03 -2.53 -0.13 0.00 -0.87 0.00 0.00 58.31 54.75 2gtj n LYS 92 Cb 0.52 -1.70 -0.08 0.00 0.02 0.00 0.00 35.03 33.79 2gtj n LYS 92 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2gtj h LYS 93 N 3.83 0.24 -2.11 1.64 1.79 -2.04 -3.47 116.57 116.46 2gtj h LYS 93 Ca 0.00 -0.14 0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2gtj h LYS 93 Cb 1.15 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.64 2gtj h LYS 93 CO 0.12 0.69 0.46 0.34 -1.08 0.00 0.00 179.45 179.98 2gtj s ASP 94 N -6.03 -0.41 -1.29 0.86 2.15 -1.26 -5.08 116.67 105.60 2gtj s ASP 94 Ca -0.15 0.18 -0.13 0.00 0.43 0.00 0.00 52.55 52.88 2gtj s ASP 94 Cb 0.04 0.39 0.13 0.00 -0.30 0.00 0.00 42.92 43.18 2gtj s ASP 94 CO 0.73 -0.57 1.77 0.00 -0.17 0.00 0.00 175.17 176.93 2gtj n LEU 95 N 0.13 5.87 0.00 -1.34 -0.00 -1.26 -4.61 117.00 115.79 2gtj n LEU 95 Ca -0.11 -4.35 0.00 0.00 -0.00 0.00 0.00 56.01 51.56 2gtj n LEU 95 Cb 0.60 -1.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.41 2gtj n LEU 95 CO 0.14 0.87 0.00 -0.62 -0.00 0.00 0.00 177.39 177.77