#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 0.51 -0.00 3.49 2.20 -1.26 -5.08 119.74 119.60 2gtj s LYS 2 Ca 0.00 -0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.15 2gtj s LYS 2 Cb 0.00 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.84 2gtj s LYS 2 CO 0.00 0.11 0.71 0.87 -0.36 0.00 0.00 175.35 176.68 2gtj h LYS 3 N 5.53 -0.27 -3.86 4.03 1.57 -2.09 -3.28 116.57 118.20 2gtj h LYS 3 Ca -0.31 0.02 -0.74 0.00 -1.87 0.00 0.00 60.65 57.75 2gtj h LYS 3 Cb 1.19 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.44 2gtj h LYS 3 CO 0.47 -0.18 2.26 0.39 -0.57 0.00 0.00 179.45 181.83 2gtj n GLU 4 N -3.14 3.38 -0.10 3.15 -0.58 -1.26 -4.62 120.64 117.47 2gtj n GLU 4 Ca -0.03 -3.30 -0.13 0.00 -0.42 0.00 0.00 57.16 53.27 2gtj n GLU 4 Cb 0.11 -3.06 -0.04 0.00 -0.57 0.00 0.00 31.44 27.89 2gtj n GLU 4 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2gtj h GLN 5 N 6.03 0.79 -3.92 3.49 -0.00 -2.00 -3.34 115.11 116.16 2gtj h GLN 5 Ca 0.44 -0.42 -0.63 0.00 -0.00 0.00 0.00 58.65 58.04 2gtj h GLN 5 Cb 0.67 0.02 -0.40 0.00 0.00 0.00 0.00 27.48 27.76 2gtj h GLN 5 CO 1.65 1.05 -0.72 0.21 0.00 0.00 0.00 178.83 181.03 2gtj s LYS 6 N -4.36 1.33 0.69 1.69 2.36 -1.26 -5.09 119.74 115.10 2gtj s LYS 6 Ca -0.12 -1.81 -0.12 0.00 -2.55 0.00 0.00 55.97 51.38 2gtj s LYS 6 Cb 0.10 -2.77 0.01 0.00 -1.05 0.00 0.00 37.83 34.11 2gtj s LYS 6 CO 0.85 -1.01 1.07 -1.83 1.55 0.00 0.00 175.35 175.97 2gtj s GLU 7 N 0.81 2.88 0.06 4.03 -1.05 -1.26 -4.98 118.70 119.20 2gtj s GLU 7 Ca 0.13 1.04 -0.30 0.00 -0.15 0.00 0.00 54.97 55.68 2gtj s GLU 7 Cb -0.21 -1.98 -0.05 0.00 -0.44 0.00 0.00 34.13 31.46 2gtj s GLU 7 CO -0.10 -1.15 1.05 0.15 0.95 0.00 0.00 175.26 176.17 2gtj s LYS 8 N -4.85 4.55 -0.96 -4.83 3.01 -1.26 -4.96 119.74 110.44 2gtj s LYS 8 Ca 0.60 1.57 -0.20 0.00 -1.01 0.00 0.00 55.97 56.92 2gtj s LYS 8 Cb -0.15 -3.39 0.10 0.00 -1.01 0.00 0.00 37.83 33.38 2gtj s LYS 8 CO 0.52 -0.04 1.25 -2.00 0.51 0.00 0.00 175.35 175.59 2gtj s GLU 9 N 0.64 3.59 0.39 1.68 -6.30 -1.26 -4.98 118.70 112.45 2gtj s GLU 9 Ca 0.53 -1.50 -0.04 0.00 -2.50 0.00 0.00 54.97 51.45 2gtj s GLU 9 Cb -0.25 -5.08 -0.04 0.00 0.00 0.00 0.00 34.13 28.76 2gtj s GLU 9 CO 0.30 -1.94 0.66 0.15 0.02 0.00 0.00 175.26 174.44 2gtj s LYS 10 N 3.59 3.58 -0.60 4.30 1.02 -1.26 -5.05 119.74 125.32 2gtj s LYS 10 Ca 0.38 0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.42 2gtj s LYS 10 Cb -0.03 -2.52 0.15 0.00 -0.52 0.00 0.00 37.83 34.91 2gtj s LYS 10 CO -0.09 0.02 0.38 0.21 -0.92 0.00 0.00 175.35 174.95 2gtj s LYS 11 N -4.21 2.33 -0.16 1.68 2.47 -1.26 -4.81 119.74 115.78 2gtj s LYS 11 Ca 0.45 -2.71 0.19 0.00 -1.56 0.00 0.00 55.97 52.34 2gtj s LYS 11 Cb -0.10 -3.52 0.46 0.00 -1.46 0.00 0.00 37.83 33.20 2gtj s LYS 11 CO 0.37 -1.16 1.17 0.39 0.16 0.00 0.00 175.35 176.27 2gtj n GLU 12 N 3.07 1.40 -0.08 4.03 1.02 -1.26 -4.84 120.64 123.98 2gtj n GLU 12 Ca 0.09 -3.05 -0.14 0.00 -0.02 0.00 0.00 57.16 54.04 2gtj n GLU 12 Cb 0.35 -1.16 -0.09 0.00 -0.02 0.00 0.00 31.44 30.52 2gtj n GLU 12 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2gtj h GLN 13 N 1.65 0.00 0.00 3.49 4.20 -1.99 -3.35 115.11 119.11 2gtj h GLN 13 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2gtj h GLN 13 Cb 1.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.26 2gtj h GLN 13 CO 0.21 0.72 0.00 0.39 -0.67 0.00 0.00 178.83 179.48 2gtj n GLU 14 N -4.57 0.20 0.15 1.46 1.02 -1.26 -2.10 120.64 115.54 2gtj n GLU 14 Ca -0.16 0.46 0.02 0.00 -0.02 0.00 0.00 57.16 57.46 2gtj n GLU 14 Cb 0.46 -1.90 0.37 0.00 -0.02 0.00 0.00 31.44 30.34 2gtj n GLU 14 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2gtj h ILE 15 N 0.00 1.22 0.00 -3.67 -0.00 -1.89 0.18 117.51 113.35 2gtj h ILE 15 Ca 0.00 -1.05 -0.03 0.00 -0.00 0.00 0.00 64.86 63.78 2gtj h ILE 15 Cb 0.32 1.47 -0.00 0.00 -0.00 0.00 0.00 36.82 38.61 2gtj h ILE 15 CO 0.00 0.31 -0.16 0.11 -0.00 0.00 0.00 178.15 178.41 2gtj h LYS 16 N 0.11 0.00 0.00 0.16 6.56 -1.63 -2.97 116.57 118.80 2gtj h LYS 16 Ca 0.02 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.26 2gtj h LYS 16 Cb 0.54 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.13 2gtj h LYS 16 CO 0.04 0.16 -2.31 1.17 -2.06 0.00 0.00 179.45 176.45 2gtj n LYS 17 N -3.39 0.88 0.14 3.15 4.81 -0.48 -3.29 118.16 119.97 2gtj n LYS 17 Ca -0.00 -0.01 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 2gtj n LYS 17 Cb 0.35 -1.49 -0.03 0.00 0.02 0.00 0.00 35.03 33.88 2gtj n LYS 17 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2gtj h LYS 18 N 0.00 -0.40 0.08 1.64 1.63 -0.63 -3.32 116.57 115.57 2gtj h LYS 18 Ca -0.51 0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 59.06 2gtj h LYS 18 Cb 2.17 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 33.89 2gtj h LYS 18 CO 0.03 -0.27 -1.14 0.35 -3.45 0.00 0.00 179.45 174.97 2gtj h PHE 19 N -1.00 0.42 -4.14 1.91 3.04 -1.78 -3.48 116.94 111.92 2gtj h PHE 19 Ca -0.04 -0.29 0.01 0.00 3.98 0.00 0.00 57.97 61.62 2gtj h PHE 19 Cb 0.32 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.73 2gtj h PHE 19 CO 0.01 1.20 -0.90 1.17 -2.02 0.00 0.00 178.31 177.77 2gtj n LYS 20 N -3.55 -2.60 -0.10 1.11 0.00 -1.21 -4.59 118.16 107.22 2gtj n LYS 20 Ca -0.07 2.18 -0.14 0.00 0.00 0.00 0.00 58.31 60.28 2gtj n LYS 20 Cb 0.97 -3.35 -0.05 0.00 0.00 0.00 0.00 35.03 32.60 2gtj n LYS 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2gtj n LEU 21 N 0.93 1.93 -3.02 3.14 7.99 -1.22 -5.00 117.00 121.76 2gtj n LEU 21 Ca -0.23 0.36 -0.13 0.00 -0.01 0.00 0.00 56.01 56.01 2gtj n LEU 21 Cb 0.35 -0.78 0.01 0.00 -0.11 0.00 0.00 43.42 42.90 2gtj n LEU 21 CO 0.23 -0.07 0.02 0.35 -1.51 0.00 0.00 177.39 176.42 2gtj n THR 22 N -4.42 -9.59 0.00 -5.08 -2.24 -1.26 -5.01 114.28 86.68 2gtj n THR 22 Ca -0.24 0.59 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2gtj n THR 22 Cb 0.59 -6.51 0.00 0.00 -2.10 0.00 0.00 70.33 62.31 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 -0.51 4.62 3.76 3.38 0.00 -1.26 -5.10 105.19 110.08 2gtj n GLY 23 Ca 0.06 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.40 4.52 0.05 1.61 0.04 -1.26 -5.05 135.00 130.51 2gtj s PRO 24 Ca 0.00 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 2gtj s PRO 24 Cb 0.00 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.57 2gtj s PRO 24 CO 0.00 0.14 0.35 -1.50 0.04 0.00 0.00 177.00 176.03 2gtj s ILE 25 N -1.32 0.07 0.45 0.56 2.07 -1.26 -5.18 121.20 116.59 2gtj s ILE 25 Ca 0.48 -0.61 0.04 0.00 -1.41 0.00 0.00 60.65 59.16 2gtj s ILE 25 Cb -0.28 -0.98 -0.05 0.00 0.13 0.00 0.00 42.46 41.28 2gtj s ILE 25 CO 0.36 -0.33 0.02 0.00 -1.91 0.00 0.00 174.94 173.07 2gtj s GLN 26 N -2.70 2.03 0.14 3.50 -2.07 -1.26 -5.07 119.66 114.23 2gtj s GLN 26 Ca -0.04 -2.23 -0.32 0.00 -1.82 0.00 0.00 55.36 50.96 2gtj s GLN 26 Cb -0.00 -1.46 -0.11 0.00 -1.09 0.00 0.00 33.01 30.35 2gtj s GLN 26 CO -0.04 -0.23 1.80 1.55 -1.32 0.00 0.00 175.29 177.06 2gtj n VAL 27 N -1.07 0.28 -0.04 3.63 3.14 -1.26 -4.56 118.33 118.44 2gtj n VAL 27 Ca -0.11 -0.05 -0.11 0.00 -2.96 0.00 0.00 64.34 61.11 2gtj n VAL 27 Cb 0.67 -2.06 -0.14 0.00 -1.06 0.00 0.00 33.84 31.24 2gtj n VAL 27 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2gtj n ILE 28 N 4.50 1.57 -3.48 1.55 2.08 0.14 -4.99 119.36 120.73 2gtj n ILE 28 Ca 0.18 -0.79 -0.12 0.00 0.56 0.00 0.00 62.75 62.58 2gtj n ILE 28 Cb 0.36 -0.99 -0.03 0.00 -0.75 0.00 0.00 39.64 38.23 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 -2.56 -0.48 -0.30 1.39 3.76 -1.21 -5.00 115.29 110.88 2gtj s HIS 29 Ca -0.09 0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 55.14 2gtj s HIS 29 Cb 0.07 0.52 -0.03 0.00 1.11 0.00 0.00 32.58 34.25 2gtj s HIS 29 CO 0.81 -0.66 0.27 -0.51 -0.85 0.00 0.00 174.74 173.80 2gtj s LEU 30 N -2.24 4.21 0.24 0.89 2.01 -1.26 -0.29 118.68 122.25 2gtj s LEU 30 Ca 0.00 -0.08 -0.00 0.00 0.01 0.00 0.00 54.13 54.06 2gtj s LEU 30 Cb -0.01 -2.23 -0.04 0.00 0.01 0.00 0.00 46.19 43.92 2gtj s LEU 30 CO -0.06 -0.17 0.44 0.00 1.01 0.00 0.00 176.35 177.56 2gtj s ALA 31 N 1.87 3.79 -0.18 4.21 0.00 0.26 -0.57 121.76 131.14 2gtj s ALA 31 Ca 0.09 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2gtj s ALA 31 Cb -0.16 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 2gtj s ALA 31 CO 0.11 0.31 0.02 0.21 0.00 0.00 0.00 175.76 176.40 2gtj s LYS 32 N -3.60 3.78 -0.42 0.00 2.20 0.11 0.50 119.74 122.30 2gtj s LYS 32 Ca 0.39 -0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.28 2gtj s LYS 32 Cb -0.10 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 2gtj s LYS 32 CO 0.30 0.18 2.05 0.00 -0.36 0.00 0.00 175.35 177.52 2gtj s ALA 33 N 0.57 2.36 -0.20 3.13 0.00 -1.26 -1.23 121.76 125.13 2gtj s ALA 33 Ca 0.00 0.08 0.29 0.00 0.00 0.00 0.00 51.96 52.33 2gtj s ALA 33 Cb -0.14 -4.18 1.05 0.00 0.00 0.00 0.00 23.12 19.86 2gtj s ALA 33 CO 0.02 -3.43 1.84 0.00 0.00 0.00 0.00 175.76 174.19 2gtj s ASP 36 N -2.20 6.94 0.32 0.00 -4.77 -1.26 -3.88 116.67 111.82 2gtj s ASP 36 Ca -0.03 1.55 0.09 0.00 -3.30 0.00 0.00 52.55 50.86 2gtj s ASP 36 Cb -0.01 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 39.24 2gtj s ASP 36 CO -0.05 -0.79 0.05 0.54 0.70 0.00 0.00 175.17 175.62 2gtj s VAL 37 N 3.56 2.93 -1.80 2.11 0.11 -0.66 -4.89 120.40 121.76 2gtj s VAL 37 Ca 0.52 -1.88 0.20 0.00 -2.93 0.00 0.00 61.98 57.90 2gtj s VAL 37 Cb -0.19 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2gtj s VAL 37 CO 0.14 -0.24 1.00 2.29 -3.33 0.00 0.00 175.10 174.96 2gtj n LYS 38 N -1.00 1.36 -1.70 1.54 0.00 -1.26 -3.63 118.16 113.47 2gtj n LYS 38 Ca -0.04 -0.90 -0.02 0.00 -0.00 0.00 0.00 58.31 57.35 2gtj n LYS 38 Cb 0.61 -1.40 0.01 0.00 -0.00 0.00 0.00 35.03 34.24 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 1.33 0.61 3.63 2.58 0.00 -1.21 -4.59 105.19 107.54 2gtj n GLY 39 Ca 0.08 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.99 1.88 -0.76 -0.02 0.00 -1.26 -4.27 107.32 99.90 2gtj s GLY 40 Ca 0.05 -0.75 -0.00 0.00 0.00 0.00 0.00 44.72 44.02 2gtj s GLY 40 CO 0.09 -0.04 0.68 1.17 0.00 0.00 0.00 173.10 175.00 2gtj n LYS 41 N 3.33 -1.37 -3.20 2.90 0.00 -1.26 -3.95 118.16 114.61 2gtj n LYS 41 Ca -0.17 1.34 -0.06 0.00 0.00 0.00 0.00 58.31 59.42 2gtj n LYS 41 Cb 0.52 -5.02 0.01 0.00 0.00 0.00 0.00 35.03 30.54 2gtj n LYS 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2gtj n ASN 42 N -1.96 -7.21 -4.06 3.14 3.02 -1.26 -5.04 115.26 101.88 2gtj n ASN 42 Ca -0.07 -0.29 -0.17 0.00 -0.03 0.00 0.00 54.58 54.02 2gtj n ASN 42 Cb 0.54 -4.76 -0.09 0.00 -0.61 0.00 0.00 39.78 34.86 2gtj n ASN 42 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2gtj s GLU 43 N -3.51 1.50 -0.06 3.52 2.12 -1.17 -4.70 118.70 116.40 2gtj s GLU 43 Ca 0.06 -1.84 -0.08 0.00 0.36 0.00 0.00 54.97 53.47 2gtj s GLU 43 Cb -0.01 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 2gtj s GLU 43 CO 0.77 -0.42 0.23 -1.17 -0.54 0.00 0.00 175.26 174.14 2gtj s LEU 44 N -3.33 4.40 -0.30 2.70 0.20 -0.67 -4.62 118.68 117.08 2gtj s LEU 44 Ca 0.37 0.60 -0.13 0.00 0.69 0.00 0.00 54.13 55.66 2gtj s LEU 44 Cb 0.06 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.44 2gtj s LEU 44 CO 0.16 0.35 0.26 -0.94 -0.29 0.00 0.00 176.35 175.89 2gtj s SER 45 N -1.23 6.10 0.21 3.68 1.04 -1.26 -3.33 113.70 118.90 2gtj s SER 45 Ca 0.20 -0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 2gtj s SER 45 Cb -0.13 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 2gtj s SER 45 CO 0.09 -0.16 0.20 0.72 0.98 0.00 0.00 173.24 175.08 2gtj s PHE 46 N 1.85 1.01 0.30 5.02 -0.12 -1.24 -4.95 117.98 119.85 2gtj s PHE 46 Ca 0.09 -1.25 0.11 0.00 -0.05 0.00 0.00 56.93 55.83 2gtj s PHE 46 Cb -0.16 -0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 41.76 2gtj s PHE 46 CO 0.11 -0.71 -0.16 0.15 -0.05 0.00 0.00 175.22 174.56 2gtj s LYS 47 N -4.12 1.76 0.16 1.99 1.02 -1.26 -1.66 119.74 117.62 2gtj s LYS 47 Ca 0.36 -1.80 -0.32 0.00 0.02 0.00 0.00 55.97 54.24 2gtj s LYS 47 Cb 0.05 -1.78 -0.10 0.00 -0.52 0.00 0.00 37.83 35.49 2gtj s LYS 47 CO 0.12 0.28 1.61 -1.14 -0.92 0.00 0.00 175.35 175.29 2gtj s GLN 48 N -3.55 4.20 0.00 1.68 0.74 -1.25 -2.28 119.66 119.19 2gtj s GLN 48 Ca 0.31 2.40 0.00 0.00 0.05 0.00 0.00 55.36 58.12 2gtj s GLN 48 Cb -0.03 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.87 2gtj s GLN 48 CO 0.16 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 2gtj n GLY 49 N 3.83 0.37 0.10 2.59 0.00 -0.66 -4.92 105.19 106.49 2gtj n GLY 49 Ca 0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.70 1.61 4.39 -1.70 -3.48 114.58 112.70 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 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2gtj h GLU 50 CO 0.00 0.32 -0.49 0.94 -1.16 0.00 0.00 179.01 178.63 2gtj n GLN 51 N -2.93 -2.85 -4.44 2.33 7.27 -1.26 -4.82 117.38 110.68 2gtj n GLN 51 Ca -0.09 2.27 -0.25 0.00 0.07 0.00 0.00 57.00 58.99 2gtj n GLN 51 Cb 0.85 -2.17 -0.10 0.00 2.41 0.00 0.00 30.24 31.23 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 -0.26 2.54 -0.10 1.69 1.01 0.18 -4.37 121.20 121.89 2gtj s ILE 52 Ca 0.00 -2.24 0.03 0.00 0.00 0.00 0.00 60.65 58.44 2gtj s ILE 52 Cb 0.00 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2gtj s ILE 52 CO 0.00 -0.30 -0.18 -1.61 0.00 0.00 0.00 174.94 172.84 2gtj s GLU 53 N -3.25 3.00 -0.19 2.79 2.02 0.17 0.93 118.70 124.18 2gtj s GLU 53 Ca 0.27 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 2gtj s GLU 53 Cb -0.06 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2gtj s GLU 53 CO 0.14 0.31 0.45 -1.50 0.02 0.00 0.00 175.26 174.67 2gtj s ILE 54 N 0.07 5.17 -0.14 -1.63 1.10 0.60 -0.37 121.20 126.01 2gtj s ILE 54 Ca -0.08 0.83 -0.05 0.00 -0.51 0.00 0.00 60.65 60.84 2gtj s ILE 54 Cb -0.15 -3.78 -0.06 0.00 0.15 0.00 0.00 42.46 38.62 2gtj s ILE 54 CO 0.05 0.24 -0.16 2.30 -2.11 0.00 0.00 174.94 175.26 2gtj n ILE 55 N 4.30 0.75 -4.06 2.00 -0.00 -0.51 0.24 119.36 122.08 2gtj n ILE 55 Ca -0.07 -0.21 -0.32 0.00 -0.00 0.00 0.00 62.75 62.15 2gtj n ILE 55 Cb 0.51 -1.53 -0.15 0.00 -0.00 0.00 0.00 39.64 38.47 2gtj n ILE 55 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2gtj s ARG 56 N -2.25 2.07 -0.16 6.28 1.81 -1.05 -4.71 118.95 120.94 2gtj s ARG 56 Ca -0.19 -1.46 0.14 0.00 -1.72 0.00 0.00 55.73 52.50 2gtj s ARG 56 Cb 0.07 -2.96 -0.19 0.00 -0.45 0.00 0.00 34.95 31.42 2gtj s ARG 56 CO 0.25 -0.65 0.05 0.44 -0.68 0.00 0.00 175.30 174.71 2gtj n ILE 57 N 4.39 1.08 -3.14 1.52 -0.00 -1.26 0.14 119.36 122.09 2gtj n ILE 57 Ca -0.10 -0.66 -0.38 0.00 -0.00 0.00 0.00 62.75 61.61 2gtj n ILE 57 Cb 0.42 -0.59 -0.06 0.00 -0.00 0.00 0.00 39.64 39.41 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 -2.38 4.59 -0.74 7.28 -4.23 -1.26 -4.05 115.64 114.85 2gtj s THR 58 Ca -0.08 1.34 -0.00 0.00 -1.18 0.00 0.00 61.69 61.76 2gtj s THR 58 Cb 0.05 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2gtj s THR 58 CO 0.64 0.40 0.05 -0.67 -0.54 0.00 0.00 174.62 174.50 2gtj n ASP 59 N 1.25 -3.18 -4.69 3.99 2.03 -1.26 -4.98 116.55 109.70 2gtj n ASP 59 Ca -0.06 -0.03 -0.42 0.00 0.52 0.00 0.00 54.79 54.80 2gtj n ASP 59 Cb 0.50 -2.39 -0.03 0.00 -0.72 0.00 0.00 41.12 38.49 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 -2.66 6.96 -0.09 1.67 2.20 -1.26 -4.92 114.94 116.85 2gtj s ASN 60 Ca 0.03 2.00 -0.00 0.00 -0.94 0.00 0.00 52.86 53.94 2gtj s ASN 60 Cb -0.01 -2.56 -0.00 0.00 -2.00 0.00 0.00 41.25 36.67 2gtj s ASN 60 CO 0.03 -0.63 -0.01 1.55 -2.94 0.00 0.00 177.10 175.11 2gtj h PRO 61 N 7.47 0.00 0.00 3.55 0.14 -1.81 -3.36 132.00 137.99 2gtj h PRO 61 Ca -0.37 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.77 2gtj h PRO 61 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 2gtj h PRO 61 CO 0.88 0.00 0.00 -1.91 0.14 0.00 0.00 178.00 177.11 2gtj n GLU 62 N -4.43 0.68 -0.70 0.86 2.13 -1.26 -4.83 120.64 113.09 2gtj n GLU 62 Ca -0.00 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gtj n GLU 62 Cb 0.01 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 1.06 0.66 3.49 8.31 0.00 -1.26 -5.06 105.19 112.39 2gtj n GLY 63 Ca 0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.44 1.76 0.49 1.61 -2.85 -1.26 -4.63 119.74 113.42 2gtj s LYS 64 Ca 0.00 -1.55 0.06 0.00 -1.00 0.00 0.00 55.97 53.48 2gtj s LYS 64 Cb 0.00 -1.91 0.03 0.00 -2.06 0.00 0.00 37.83 33.89 2gtj s LYS 64 CO 0.00 0.38 0.68 -1.58 0.10 0.00 0.00 175.35 174.92 2gtj s TRP 65 N -2.04 2.51 -0.35 1.78 0.51 0.78 -4.55 118.94 117.58 2gtj s TRP 65 Ca 0.26 -0.37 -0.05 0.00 -2.12 0.00 0.00 56.10 53.82 2gtj s TRP 65 Cb -0.07 -2.46 0.06 0.00 -0.81 0.00 0.00 33.47 30.19 2gtj s TRP 65 CO 0.14 -0.72 0.12 -1.17 -0.51 0.00 0.00 176.95 174.81 2gtj s LEU 66 N -4.54 4.51 0.25 2.99 2.96 0.12 -0.24 118.68 124.73 2gtj s LEU 66 Ca 0.57 -1.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.18 2gtj s LEU 66 Cb -0.09 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2gtj s LEU 66 CO 0.36 -0.38 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.12 2gtj s GLY 67 N 1.56 1.71 0.02 7.98 0.00 -1.26 -1.42 107.32 115.90 2gtj s GLY 67 Ca -0.00 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.10 2gtj s GLY 67 CO 0.00 -1.70 -0.07 -1.60 0.00 0.00 0.00 173.10 169.73 2gtj s ARG 68 N -3.43 0.54 0.33 2.90 3.52 0.51 -2.87 118.95 120.45 2gtj s ARG 68 Ca 0.29 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.47 2gtj s ARG 68 Cb -0.07 -0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 32.87 2gtj s ARG 68 CO 0.18 0.10 0.43 0.99 -0.81 0.00 0.00 175.30 176.19 2gtj s THR 69 N -0.72 3.97 0.53 4.11 2.01 -0.92 0.46 115.64 125.08 2gtj s THR 69 Ca -0.03 -1.08 0.20 0.00 0.31 0.00 0.00 61.69 61.09 2gtj s THR 69 Cb -0.06 -3.36 0.32 0.00 0.01 0.00 0.00 72.50 69.41 2gtj s THR 69 CO 0.00 -0.16 2.09 0.00 -0.69 0.00 0.00 174.62 175.86 2gtj h ALA 70 N 0.98 2.18 0.00 7.40 0.00 -1.88 0.28 119.26 128.22 2gtj h ALA 70 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2gtj h ALA 70 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2gtj h ALA 70 CO 0.54 -0.26 0.00 2.89 0.00 0.00 0.00 179.25 182.42 2gtj n ARG 71 N -4.44 0.03 -1.50 0.00 1.85 -1.26 -4.94 116.66 106.39 2gtj n ARG 71 Ca 0.02 0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 2gtj n ARG 71 Cb 0.29 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 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 0.72 -2.78 3.23 2.89 0.00 1.00 -5.06 105.19 105.18 2gtj n GLY 72 Ca 0.06 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.02 -0.30 -0.51 1.61 0.01 -1.25 -4.78 113.70 108.46 2gtj s SER 73 Ca 0.00 0.89 -0.05 0.00 1.31 0.00 0.00 55.95 58.10 2gtj s SER 73 Cb 0.00 1.44 0.13 0.00 0.21 0.00 0.00 66.02 67.80 2gtj s SER 73 CO 0.00 -0.25 0.34 -0.31 0.41 0.00 0.00 173.24 173.43 2gtj s TYR 74 N 2.64 3.50 -0.77 2.43 1.51 -1.26 -2.16 117.35 123.25 2gtj s TYR 74 Ca 0.02 -2.36 0.12 0.00 -1.01 0.00 0.00 57.07 53.84 2gtj s TYR 74 Cb -0.13 -3.32 0.34 0.00 -0.11 0.00 0.00 41.96 38.75 2gtj s TYR 74 CO -0.14 -0.94 1.28 0.41 -1.11 0.00 0.00 175.55 175.05 2gtj n GLY 75 N 4.31 3.01 3.18 0.71 0.00 -1.14 -4.84 105.19 110.42 2gtj n GLY 75 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 2gtj n GLY 75 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2gtj n TYR 76 N 0.30 -2.65 -2.16 1.61 4.11 -1.26 -1.66 117.16 115.45 2gtj n TYR 76 Ca 0.13 1.11 -0.38 0.00 -0.00 0.00 0.00 57.90 58.76 2gtj n TYR 76 Cb 0.51 -2.58 -0.00 0.00 -0.00 0.00 0.00 39.34 37.27 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.86 177.82 2gtj s ILE 77 N -1.75 2.88 -0.40 -3.48 -4.36 0.66 -4.37 121.20 110.39 2gtj s ILE 77 Ca 0.24 0.68 -0.28 0.00 -0.26 0.00 0.00 60.65 61.03 2gtj s ILE 77 Cb -0.04 -3.35 0.02 0.00 1.25 0.00 0.00 42.46 40.34 2gtj s ILE 77 CO 0.70 0.01 1.05 -1.59 0.24 0.00 0.00 174.94 175.35 2gtj s LYS 78 N -2.67 3.84 0.35 0.37 -2.85 -1.26 -0.16 119.74 117.36 2gtj s LYS 78 Ca 0.64 0.69 0.25 0.00 -1.00 0.00 0.00 55.97 56.55 2gtj s LYS 78 Cb -0.32 -3.83 1.21 0.00 -2.06 0.00 0.00 37.83 32.83 2gtj s LYS 78 CO 0.38 -1.12 1.29 0.25 0.10 0.00 0.00 175.35 176.25 2gtj n THR 79 N 6.31 -0.23 0.50 3.79 -2.24 -1.26 -0.10 114.28 121.04 2gtj n THR 79 Ca 0.10 1.51 0.07 0.00 -2.27 0.00 0.00 64.05 63.47 2gtj n THR 79 Cb 0.48 -2.48 0.31 0.00 -2.10 0.00 0.00 70.33 66.54 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 -4.43 1.01 1.14 4.28 5.66 -1.26 -1.67 114.28 119.00 2gtj n THR 80 Ca 0.33 0.25 0.12 0.00 -3.05 0.00 0.00 64.05 61.70 2gtj n THR 80 Cb 1.25 -1.01 0.25 0.00 -1.55 0.00 0.00 70.33 69.28 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 -1.49 3.38 -2.29 1.79 0.00 0.85 -4.92 120.51 117.83 2gtj n ALA 81 Ca 0.04 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 2gtj n ALA 81 Cb 0.17 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.64 1.13 -0.20 0.00 -7.23 -0.67 -0.80 120.40 109.99 2gtj s VAL 82 Ca 0.19 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2gtj s VAL 82 Cb 0.18 -2.10 0.06 0.00 0.56 0.00 0.00 36.38 35.08 2gtj s VAL 82 CO 0.59 -0.53 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.23 2gtj s GLU 83 N -3.80 1.08 0.90 4.82 2.02 -0.37 -4.82 118.70 118.54 2gtj s GLU 83 Ca 0.23 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.50 2gtj s GLU 83 Cb 0.04 -2.19 0.14 0.00 0.10 0.00 0.00 34.13 32.21 2gtj s GLU 83 CO 0.05 -0.58 1.17 0.96 0.02 0.00 0.00 175.26 176.88 2gtj s ILE 84 N 1.68 1.98 -0.50 -1.63 -4.36 -1.26 0.04 121.20 117.14 2gtj s ILE 84 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 60.65 60.10 2gtj s ILE 84 Cb -0.17 -2.84 -0.02 0.00 1.25 0.00 0.00 42.46 40.68 2gtj s ILE 84 CO -0.07 0.00 1.85 -0.62 0.24 0.00 0.00 174.94 176.33 2gtj s ASP 85 N -4.28 5.49 -0.16 4.36 -1.08 0.26 -4.80 116.67 116.47 2gtj s ASP 85 Ca 0.65 0.72 -0.22 0.00 -0.52 0.00 0.00 52.55 53.17 2gtj s ASP 85 Cb -0.12 -2.53 -0.23 0.00 -1.46 0.00 0.00 42.92 38.58 2gtj s ASP 85 CO 0.52 -2.14 0.46 1.88 0.52 0.00 0.00 175.17 176.42 2gtj h TYR 86 N 14.29 0.11 -0.21 -5.34 0.05 -1.92 -3.45 116.97 120.50 2gtj h TYR 86 Ca -0.28 -0.08 0.26 0.00 0.05 0.00 0.00 58.73 58.68 2gtj h TYR 86 Cb 1.17 -0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.69 2gtj h TYR 86 CO 1.01 1.36 0.20 0.34 -1.05 0.00 0.00 178.16 180.02 2gtj s ASP 87 N -6.71 -0.29 0.49 3.88 2.15 -1.26 -5.18 116.67 109.75 2gtj s ASP 87 Ca -0.24 0.18 0.06 0.00 0.43 0.00 0.00 52.55 52.98 2gtj s ASP 87 Cb 0.03 1.24 0.00 0.00 -0.30 0.00 0.00 42.92 43.89 2gtj s ASP 87 CO 0.66 -0.05 0.29 -0.44 -0.17 0.00 0.00 175.17 175.46 2gtj s SER 88 N 2.97 4.56 -0.69 -0.34 0.01 -1.26 -4.86 113.70 114.09 2gtj s SER 88 Ca -0.04 -1.20 -0.03 0.00 1.31 0.00 0.00 55.95 56.00 2gtj s SER 88 Cb -0.09 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2gtj s SER 88 CO -0.10 -0.88 0.68 0.18 0.41 0.00 0.00 173.24 173.54 2gtj n LEU 89 N -1.54 -6.97 -3.97 2.44 4.32 -1.26 -5.05 117.00 104.97 2gtj n LEU 89 Ca -0.03 0.03 -0.10 0.00 -0.02 0.00 0.00 56.01 55.89 2gtj n LEU 89 Cb 0.64 -3.32 -0.07 0.00 -1.62 0.00 0.00 43.42 39.05 2gtj n LEU 89 CO 0.41 -1.32 -0.03 -1.59 -1.22 0.00 0.00 177.39 173.64 2gtj s LYS 90 N -2.95 1.17 -0.23 3.23 -2.85 -1.26 -5.07 119.74 111.77 2gtj s LYS 90 Ca 0.04 -1.20 0.05 0.00 -1.00 0.00 0.00 55.97 53.87 2gtj s LYS 90 Cb -0.01 0.37 -0.17 0.00 -2.06 0.00 0.00 37.83 35.96 2gtj s LYS 90 CO 0.75 -0.43 -0.16 1.28 0.10 0.00 0.00 175.35 176.90 2gtj n LEU 91 N -0.22 2.35 -4.75 2.77 4.77 -1.26 -4.77 117.00 115.89 2gtj n LEU 91 Ca -0.07 -0.10 -0.35 0.00 -0.03 0.00 0.00 56.01 55.45 2gtj n LEU 91 Cb 0.63 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 2gtj n LEU 91 CO 0.25 0.82 -0.21 -0.54 -1.33 0.00 0.00 177.39 176.37 2gtj s LYS 92 N -2.48 3.79 -1.15 3.23 -0.14 -1.26 -4.49 119.74 117.24 2gtj s LYS 92 Ca -0.28 -0.24 -0.00 0.00 -1.36 0.00 0.00 55.97 54.09 2gtj s LYS 92 Cb 0.08 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 2gtj s LYS 92 CO 0.61 0.48 0.02 1.63 -0.76 0.00 0.00 175.35 177.33 2gtj n LYS 93 N 2.91 -1.20 -2.92 1.68 5.02 -1.26 -4.96 118.16 117.43 2gtj n LYS 93 Ca -0.18 0.65 -0.44 0.00 -2.02 0.00 0.00 58.31 56.33 2gtj n LYS 93 Cb 0.53 -4.90 -0.04 0.00 -0.02 0.00 0.00 35.03 30.61 2gtj n LYS 93 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2gtj s ASP 94 N -2.42 6.27 -0.46 4.39 2.15 -1.26 -4.44 116.67 120.90 2gtj s ASP 94 Ca 0.01 -1.29 -0.12 0.00 0.43 0.00 0.00 52.55 51.58 2gtj s ASP 94 Cb -0.01 -2.39 0.01 0.00 -0.30 0.00 0.00 42.92 40.24 2gtj s ASP 94 CO 0.01 -1.30 0.58 -0.11 -0.17 0.00 0.00 175.17 174.18 2gtj n LEU 95 N 7.19 -7.36 0.00 -1.34 7.94 -1.26 -5.11 117.00 117.05 2gtj n LEU 95 Ca 0.00 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2gtj n LEU 95 Cb 0.45 -3.24 0.00 0.00 0.53 0.00 0.00 43.42 41.17 2gtj n LEU 95 CO 0.60 -1.99 0.00 -1.84 -1.11 0.00 0.00 177.39 173.06