#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 2.26 0.27 3.49 -0.14 -1.26 -5.05 119.74 119.31 2gtj s LYS 2 Ca 0.00 0.11 -0.27 0.00 -1.36 0.00 0.00 55.97 54.45 2gtj s LYS 2 Cb 0.00 -2.03 -0.09 0.00 -1.68 0.00 0.00 37.83 34.03 2gtj s LYS 2 CO 0.00 -1.35 0.91 0.15 -0.76 0.00 0.00 175.35 174.30 2gtj s LYS 3 N -5.43 4.65 -0.52 1.68 3.01 -1.26 -5.00 119.74 116.87 2gtj s LYS 3 Ca 0.60 1.33 -0.27 0.00 -1.01 0.00 0.00 55.97 56.63 2gtj s LYS 3 Cb -0.11 -3.02 0.03 0.00 -1.01 0.00 0.00 37.83 33.72 2gtj s LYS 3 CO 0.49 0.40 1.05 -2.00 0.51 0.00 0.00 175.35 175.80 2gtj s GLU 4 N -1.65 3.52 0.00 1.68 2.56 -1.26 -4.78 118.70 118.77 2gtj s GLU 4 Ca 0.45 0.17 0.00 0.00 0.00 0.00 0.00 54.97 55.58 2gtj s GLU 4 Cb -0.22 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 31.94 2gtj s GLU 4 CO 0.27 -1.45 0.00 0.94 -0.56 0.00 0.00 175.26 174.46 2gtj n GLN 5 N 7.74 2.17 0.00 4.30 7.27 -1.26 -4.70 117.38 132.91 2gtj n GLN 5 Ca 0.07 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.27 2gtj n GLN 5 Cb 0.48 -0.83 0.44 0.00 2.41 0.00 0.00 30.24 32.75 2gtj n GLN 5 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2gtj n LYS 6 N -1.08 0.15 -4.04 3.69 0.00 -1.26 -4.81 118.16 110.80 2gtj n LYS 6 Ca 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.31 58.15 2gtj n LYS 6 Cb 0.06 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.52 2gtj n LYS 6 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2gtj s GLU 7 N -2.89 1.24 0.01 -1.58 2.56 -1.26 -5.05 118.70 111.73 2gtj s GLU 7 Ca 0.15 -1.31 0.22 0.00 0.00 0.00 0.00 54.97 54.03 2gtj s GLU 7 Cb 0.19 0.37 -0.11 0.00 2.00 0.00 0.00 34.13 36.57 2gtj s GLU 7 CO 0.60 -0.46 0.91 1.63 -0.56 0.00 0.00 175.26 177.38 2gtj n LYS 8 N -0.26 0.18 0.00 4.30 5.02 -1.26 -4.82 118.16 121.33 2gtj n LYS 8 Ca -0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2gtj n LYS 8 Cb 0.63 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2gtj n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2gtj n GLU 9 N -1.74 0.00 -3.63 1.97 2.13 -1.26 -4.46 120.64 113.64 2gtj n GLU 9 Ca 0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.76 2gtj n GLU 9 Cb 0.40 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.04 2gtj n GLU 9 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2gtj s LYS 10 N 0.00 0.47 2.50 5.31 2.20 -1.26 -5.14 119.74 123.82 2gtj s LYS 10 Ca 0.00 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 2gtj s LYS 10 Cb 0.00 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2gtj s LYS 10 CO 0.00 -0.07 0.00 1.63 -0.36 0.00 0.00 175.35 176.55 2gtj n LYS 11 N 1.90 0.00 -3.46 4.03 5.02 -1.26 -4.81 118.16 119.57 2gtj n LYS 11 Ca -0.12 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.90 2gtj n LYS 11 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 2gtj n LYS 11 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2gtj s GLU 12 N 0.00 3.58 -0.02 1.97 0.41 -1.26 -4.81 118.70 118.56 2gtj s GLU 12 Ca 0.00 -0.15 -0.11 0.00 -0.41 0.00 0.00 54.97 54.31 2gtj s GLU 12 Cb 0.00 -2.71 -0.06 0.00 -1.78 0.00 0.00 34.13 29.58 2gtj s GLU 12 CO 0.00 0.27 0.59 1.96 -0.49 0.00 0.00 175.26 177.59 2gtj h GLN 13 N 1.68 -0.37 -0.10 1.61 4.20 -1.87 -3.36 115.11 116.90 2gtj h GLN 13 Ca -0.48 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.28 2gtj h GLN 13 Cb 1.19 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 2gtj h GLN 13 CO 0.66 -0.25 0.09 0.93 -0.67 0.00 0.00 178.83 179.59 2gtj h GLU 14 N -0.76 0.00 0.00 1.46 5.08 -1.96 -1.88 114.58 116.52 2gtj h GLU 14 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2gtj h GLU 14 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2gtj h GLU 14 CO 0.06 0.00 -0.28 -0.84 -1.00 0.00 0.00 179.01 176.95 2gtj h ILE 15 N 0.00 1.17 -0.14 3.13 -0.00 -1.90 0.15 117.51 119.92 2gtj h ILE 15 Ca 0.05 -0.98 -0.15 0.00 -0.00 0.00 0.00 64.86 63.77 2gtj h ILE 15 Cb 0.22 1.53 -0.01 0.00 -0.00 0.00 0.00 36.82 38.56 2gtj h ILE 15 CO -0.00 0.28 -0.57 0.11 -0.00 0.00 0.00 178.15 177.96 2gtj h LYS 16 N 0.00 0.43 0.00 0.16 1.57 -1.51 -2.33 116.57 114.89 2gtj h LYS 16 Ca -0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2gtj h LYS 16 Cb 0.51 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2gtj h LYS 16 CO 0.04 0.88 -1.16 1.17 -0.57 0.00 0.00 179.45 179.81 2gtj n LYS 17 N -3.93 0.78 -0.07 3.15 4.81 -0.97 -2.52 118.16 119.42 2gtj n LYS 17 Ca -0.03 -0.05 -0.10 0.00 -0.87 0.00 0.00 58.31 57.27 2gtj n LYS 17 Cb 0.61 -1.40 -0.07 0.00 0.02 0.00 0.00 35.03 34.19 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 0.00 0.00 1.64 1.63 -0.60 -3.36 116.57 115.88 2gtj h LYS 18 Ca 0.00 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.59 2gtj h LYS 18 Cb 0.56 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 2gtj h LYS 18 CO 0.00 0.57 -1.29 0.35 -3.45 0.00 0.00 179.45 175.64 2gtj h PHE 19 N -1.00 0.00 -3.93 1.91 3.04 -1.65 -3.45 116.94 111.86 2gtj h PHE 19 Ca -0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2gtj h PHE 19 Cb 0.66 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.17 2gtj h PHE 19 CO 0.11 0.81 -0.43 1.17 -2.02 0.00 0.00 178.31 177.95 2gtj n LYS 20 N -3.10 -1.53 -0.10 1.11 4.81 -1.08 -4.59 118.16 113.68 2gtj n LYS 20 Ca -0.08 1.51 -0.16 0.00 -0.87 0.00 0.00 58.31 58.71 2gtj n LYS 20 Cb 0.92 -2.92 -0.05 0.00 0.02 0.00 0.00 35.03 33.00 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 0.31 1.93 -2.92 3.14 7.99 -1.05 -5.02 117.00 121.39 2gtj n LEU 21 Ca 0.00 0.36 -0.10 0.00 -0.01 0.00 0.00 56.01 56.27 2gtj n LEU 21 Cb 0.00 -0.79 0.01 0.00 -0.11 0.00 0.00 43.42 42.53 2gtj n LEU 21 CO 0.20 -0.00 -0.12 0.35 -1.51 0.00 0.00 177.39 176.30 2gtj n THR 22 N -4.41-10.11 0.00 -5.08 -2.24 -1.26 -4.98 114.28 86.19 2gtj n THR 22 Ca -0.27 0.98 0.00 0.00 -2.27 0.00 0.00 64.05 62.49 2gtj n THR 22 Cb 0.62 -6.62 0.00 0.00 -2.10 0.00 0.00 70.33 62.23 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 -0.02 3.76 3.59 3.38 0.00 -1.26 -5.01 105.19 109.63 2gtj n GLY 23 Ca 0.07 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 44.21 2gtj n GLY 23 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gtj n PRO 24 N -0.25 1.97 -2.09 1.61 -0.02 -1.26 -4.97 135.00 130.00 2gtj n PRO 24 Ca 0.00 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.92 2gtj n PRO 24 Cb 0.00 -3.02 0.07 0.00 -0.02 0.00 0.00 33.50 30.53 2gtj n PRO 24 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2gtj n ILE 25 N 7.08 0.00 -4.18 4.25 -5.35 -1.26 -5.13 119.36 114.77 2gtj n ILE 25 Ca 0.30 -1.17 -0.12 0.00 -0.27 0.00 0.00 62.75 61.49 2gtj n ILE 25 Cb 0.39 -0.94 -0.09 0.00 -1.74 0.00 0.00 39.64 37.25 2gtj n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gtj s GLN 26 N -4.18 1.23 -0.17 6.28 -2.07 -1.26 -5.12 119.66 114.38 2gtj s GLN 26 Ca 0.46 -1.58 -0.26 0.00 -1.82 0.00 0.00 55.36 52.15 2gtj s GLN 26 Cb -0.03 0.29 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 2gtj s GLN 26 CO 0.30 -0.42 0.86 0.54 -1.32 0.00 0.00 175.29 175.25 2gtj s VAL 27 N -4.14 4.86 -0.01 3.63 0.11 -1.26 -4.37 120.40 119.22 2gtj s VAL 27 Ca 0.37 1.69 0.01 0.00 -2.93 0.00 0.00 61.98 61.11 2gtj s VAL 27 Cb 0.06 -4.16 -0.26 0.00 -1.53 0.00 0.00 36.38 30.49 2gtj s VAL 27 CO 0.11 0.01 0.81 0.40 -3.33 0.00 0.00 175.10 173.10 2gtj h ILE 28 N 5.20 1.09 -2.28 7.04 1.08 -0.58 -3.49 117.51 125.57 2gtj h ILE 28 Ca -0.29 -2.79 0.16 0.00 -0.39 0.00 0.00 64.86 61.56 2gtj h ILE 28 Cb 1.13 2.67 -0.11 0.00 -3.07 0.00 0.00 36.82 37.44 2gtj h ILE 28 CO 0.85 0.77 0.50 -1.00 -0.69 0.00 0.00 178.15 178.58 2gtj s HIS 29 N -2.62 -0.21 -0.30 1.37 3.76 -1.20 -5.01 115.29 111.09 2gtj s HIS 29 Ca -0.09 -0.03 -0.09 0.00 -0.15 0.00 0.00 55.06 54.71 2gtj s HIS 29 Cb 0.07 0.60 -0.01 0.00 1.11 0.00 0.00 32.58 34.35 2gtj s HIS 29 CO 0.84 -0.70 0.13 -0.51 -0.85 0.00 0.00 174.74 173.65 2gtj s LEU 30 N -2.77 3.98 0.32 0.89 1.02 -1.26 -0.08 118.68 120.78 2gtj s LEU 30 Ca 0.10 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.68 2gtj s LEU 30 Cb -0.01 -1.98 -0.06 0.00 0.02 0.00 0.00 46.19 44.16 2gtj s LEU 30 CO -0.02 -0.17 0.62 0.00 0.02 0.00 0.00 176.35 176.80 2gtj s ALA 31 N 1.60 3.53 -0.25 4.21 0.00 0.15 -1.22 121.76 129.78 2gtj s ALA 31 Ca 0.05 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 2gtj s ALA 31 Cb -0.17 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2gtj s ALA 31 CO 0.05 0.20 0.06 0.21 0.00 0.00 0.00 175.76 176.29 2gtj s LYS 32 N -3.54 3.55 -0.47 0.00 2.20 0.89 0.58 119.74 122.95 2gtj s LYS 32 Ca 0.47 -0.54 -0.27 0.00 -0.36 0.00 0.00 55.97 55.26 2gtj s LYS 32 Cb -0.11 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2gtj s LYS 32 CO 0.29 -0.23 2.01 0.00 -0.36 0.00 0.00 175.35 177.06 2gtj s ALA 33 N 1.59 2.28 -0.93 3.13 0.00 -1.26 -1.62 121.76 124.95 2gtj s ALA 33 Ca 0.06 -0.10 0.26 0.00 0.00 0.00 0.00 51.96 52.17 2gtj s ALA 33 Cb -0.15 -4.21 0.62 0.00 0.00 0.00 0.00 23.12 19.37 2gtj s ALA 33 CO 0.03 -3.58 1.50 0.00 0.00 0.00 0.00 175.76 173.71 2gtj s ASP 36 N 0.88 6.03 0.20 0.00 -1.08 -1.26 -4.16 116.67 117.29 2gtj s ASP 36 Ca -0.10 0.06 0.09 0.00 -0.52 0.00 0.00 52.55 52.08 2gtj s ASP 36 Cb -0.13 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 2gtj s ASP 36 CO -0.01 -1.83 -0.08 0.54 0.52 0.00 0.00 175.17 174.31 2gtj s VAL 37 N 6.33 3.21 -0.45 1.11 0.11 -0.34 -4.88 120.40 125.49 2gtj s VAL 37 Ca 0.49 -1.73 0.09 0.00 -2.93 0.00 0.00 61.98 57.89 2gtj s VAL 37 Cb -0.10 -2.62 0.38 0.00 -1.53 0.00 0.00 36.38 32.51 2gtj s VAL 37 CO 0.21 -0.17 0.94 2.29 -3.33 0.00 0.00 175.10 175.04 2gtj n LYS 38 N -0.16 2.38 -1.02 1.54 0.00 -1.26 -1.74 118.16 117.89 2gtj n LYS 38 Ca -0.10 -4.14 0.00 0.00 -0.00 0.00 0.00 58.31 54.07 2gtj n LYS 38 Cb 0.56 -1.94 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 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 -0.14 0.87 3.46 2.58 0.00 -0.99 -4.87 105.19 106.10 2gtj n GLY 39 Ca 0.28 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2gtj n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gtj n GLY 40 N -1.01 2.63 2.35 -0.02 0.00 -1.26 -4.27 105.19 103.60 2gtj n GLY 40 Ca 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 46.02 44.60 2gtj n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gtj n LYS 41 N 8.04 -1.60 -3.10 1.61 4.81 -1.26 -4.54 118.16 122.11 2gtj n LYS 41 Ca 0.49 1.59 -0.09 0.00 -0.87 0.00 0.00 58.31 59.42 2gtj n LYS 41 Cb 0.45 -4.11 0.01 0.00 0.02 0.00 0.00 35.03 31.39 2gtj n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2gtj n ASN 42 N -0.27 -7.34 -2.21 3.14 4.13 -1.26 -5.03 115.26 106.42 2gtj n ASN 42 Ca 0.07 0.05 -0.10 0.00 1.68 0.00 0.00 54.58 56.28 2gtj n ASN 42 Cb 0.26 -4.63 -0.03 0.00 -1.54 0.00 0.00 39.78 33.83 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2gtj n GLU 43 N -1.19 0.32 -3.81 3.52 2.13 -1.26 -4.35 120.64 115.99 2gtj n GLU 43 Ca 0.00 -1.75 -0.24 0.00 0.66 0.00 0.00 57.16 55.83 2gtj n GLU 43 Cb 0.52 1.55 -0.02 0.00 0.27 0.00 0.00 31.44 33.76 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 4.25 -0.32 4.31 0.20 -1.20 -4.44 118.68 121.49 2gtj s LEU 44 Ca 0.20 0.22 -0.11 0.00 0.69 0.00 0.00 54.13 55.13 2gtj s LEU 44 Cb 0.00 -3.01 -0.01 0.00 -0.43 0.00 0.00 46.19 42.74 2gtj s LEU 44 CO 0.14 -0.08 0.18 -0.44 -0.29 0.00 0.00 176.35 175.86 2gtj s SER 45 N -3.67 5.72 0.03 3.68 0.01 -1.26 -2.33 113.70 115.87 2gtj s SER 45 Ca 0.36 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 57.05 2gtj s SER 45 Cb -0.10 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.10 2gtj s SER 45 CO 0.30 -0.19 0.24 0.72 0.41 0.00 0.00 173.24 174.72 2gtj s PHE 46 N 1.65 -0.03 0.10 2.43 -0.12 -0.71 -5.00 117.98 116.31 2gtj s PHE 46 Ca 0.05 -0.12 0.04 0.00 -0.05 0.00 0.00 56.93 56.85 2gtj s PHE 46 Cb -0.17 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2gtj s PHE 46 CO 0.08 -0.44 0.09 0.15 -0.05 0.00 0.00 175.22 175.04 2gtj s LYS 47 N -2.34 2.86 -0.21 1.99 1.02 -1.26 -1.20 119.74 120.60 2gtj s LYS 47 Ca -0.07 -0.75 -0.32 0.00 0.02 0.00 0.00 55.97 54.85 2gtj s LYS 47 Cb -0.02 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.50 2gtj s LYS 47 CO -0.02 0.54 2.10 0.94 -0.92 0.00 0.00 175.35 177.98 2gtj n GLN 48 N 0.25 1.79 -0.18 1.68 0.00 -1.26 -0.56 117.38 119.10 2gtj n GLN 48 Ca -0.09 0.56 0.00 0.00 -0.00 0.00 0.00 57.00 57.48 2gtj n GLN 48 Cb 0.52 -2.80 0.00 0.00 0.00 0.00 0.00 30.24 27.96 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 5.53 0.99 0.16 1.69 0.00 0.50 -4.94 105.19 109.13 2gtj n GLY 49 Ca 0.31 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 0.47 -2.94 1.61 4.57 -1.02 -3.48 114.58 113.79 2gtj h GLU 50 Ca 0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2gtj h GLU 50 Cb 0.02 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2gtj h GLU 50 CO 0.00 1.00 -0.31 0.94 -1.18 0.00 0.00 179.01 179.46 2gtj n GLN 51 N -4.30 -1.36 -4.37 1.92 7.27 -1.26 -4.97 117.38 110.31 2gtj n GLN 51 Ca -0.08 1.36 -0.25 0.00 0.07 0.00 0.00 57.00 58.11 2gtj n GLN 51 Cb 0.56 -1.76 -0.09 0.00 2.41 0.00 0.00 30.24 31.36 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 2.63 -0.09 1.69 1.01 0.20 -4.75 121.20 121.73 2gtj s ILE 52 Ca -0.02 -2.03 0.03 0.00 0.00 0.00 0.00 60.65 58.63 2gtj s ILE 52 Cb 0.00 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2gtj s ILE 52 CO 0.06 -0.23 -0.18 -1.61 0.00 0.00 0.00 174.94 172.97 2gtj s GLU 53 N -3.68 2.93 -0.20 2.79 2.02 0.21 0.34 118.70 123.12 2gtj s GLU 53 Ca 0.34 -0.78 -0.18 0.00 0.02 0.00 0.00 54.97 54.37 2gtj s GLU 53 Cb -0.01 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2gtj s GLU 53 CO 0.19 0.33 0.49 -1.50 0.02 0.00 0.00 175.26 174.79 2gtj s ILE 54 N -0.00 5.13 -0.11 -1.63 1.10 0.89 -0.70 121.20 125.87 2gtj s ILE 54 Ca -0.06 0.91 0.03 0.00 -0.51 0.00 0.00 60.65 61.01 2gtj s ILE 54 Cb -0.15 -3.82 -0.08 0.00 0.15 0.00 0.00 42.46 38.56 2gtj s ILE 54 CO 0.05 0.20 -0.07 2.30 -2.11 0.00 0.00 174.94 175.30 2gtj n ILE 55 N 4.48 0.64 -4.04 2.00 -0.00 -0.59 0.12 119.36 121.97 2gtj n ILE 55 Ca -0.05 -0.28 -0.17 0.00 -0.00 0.00 0.00 62.75 62.25 2gtj n ILE 55 Cb 0.51 -0.87 -0.16 0.00 -0.00 0.00 0.00 39.64 39.12 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 -2.23 0.42 0.00 6.28 3.52 -1.20 -4.53 118.95 121.21 2gtj s ARG 56 Ca -0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 2gtj s ARG 56 Cb 0.04 -0.49 0.00 0.00 -1.56 0.00 0.00 34.95 32.94 2gtj s ARG 56 CO 0.29 -0.04 0.00 0.44 -0.81 0.00 0.00 175.30 175.18 2gtj n ILE 57 N 3.69 0.00 -3.89 4.11 -0.00 -1.26 -0.75 119.36 121.26 2gtj n ILE 57 Ca -0.22 -0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.18 2gtj n ILE 57 Cb 0.53 0.33 -0.05 0.00 -0.00 0.00 0.00 39.64 40.45 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 -1.26 5.46 -0.83 7.28 -4.23 -1.26 -4.58 115.64 116.22 2gtj s THR 58 Ca 0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.47 2gtj s THR 58 Cb 0.00 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 2gtj s THR 58 CO 0.00 0.43 0.75 -0.67 -0.54 0.00 0.00 174.62 174.59 2gtj n ASP 59 N 1.31 -7.41 -4.72 3.99 2.03 -1.26 -4.98 116.55 105.52 2gtj n ASP 59 Ca -0.14 -0.27 -0.40 0.00 0.52 0.00 0.00 54.79 54.51 2gtj n ASP 59 Cb 0.53 -5.17 -0.05 0.00 -0.72 0.00 0.00 41.12 35.72 2gtj n ASP 59 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2gtj s ASN 60 N -3.10 7.01 0.03 1.67 -0.87 -1.26 -4.97 114.94 113.44 2gtj s ASN 60 Ca 0.12 1.21 -0.13 0.00 -1.57 0.00 0.00 52.86 52.49 2gtj s ASN 60 Cb -0.02 -2.41 -0.06 0.00 -0.02 0.00 0.00 41.25 38.74 2gtj s ASN 60 CO 0.75 -0.08 1.20 1.55 -2.57 0.00 0.00 177.10 177.95 2gtj h PRO 61 N 6.54 -0.36 -0.01 -0.60 0.13 -1.81 -3.25 132.00 132.64 2gtj h PRO 61 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2gtj h PRO 61 Cb 1.20 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2gtj h PRO 61 CO 0.74 -0.24 -0.27 0.39 -0.23 0.00 0.00 178.00 178.39 2gtj n GLU 62 N -3.41 1.22 0.00 0.86 1.02 -1.26 -4.89 120.64 114.18 2gtj n GLU 62 Ca -0.05 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 2gtj n GLU 62 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 2gtj n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gtj n GLY 63 N 1.35 2.30 3.82 0.62 0.00 -1.23 -5.08 105.19 106.97 2gtj n GLY 63 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.60 3.81 0.80 1.61 -2.85 -1.26 -4.80 119.74 116.46 2gtj s LYS 64 Ca 0.00 1.15 -0.07 0.00 -1.00 0.00 0.00 55.97 56.06 2gtj s LYS 64 Cb 0.00 -2.11 0.15 0.00 -2.06 0.00 0.00 37.83 33.81 2gtj s LYS 64 CO 0.00 -0.39 1.11 -1.58 0.10 0.00 0.00 175.35 174.59 2gtj s TRP 65 N -2.33 1.72 -0.27 1.78 0.51 0.14 -4.55 118.94 115.94 2gtj s TRP 65 Ca 0.63 0.00 -0.03 0.00 -2.12 0.00 0.00 56.10 54.58 2gtj s TRP 65 Cb -0.13 -3.41 0.03 0.00 -0.81 0.00 0.00 33.47 29.15 2gtj s TRP 65 CO 0.26 -2.01 -0.02 -1.17 -0.51 0.00 0.00 176.95 173.50 2gtj s LEU 66 N -5.41 3.49 0.19 2.99 2.96 0.07 -0.60 118.68 122.36 2gtj s LEU 66 Ca 0.68 -0.95 0.11 0.00 -0.22 0.00 0.00 54.13 53.75 2gtj s LEU 66 Cb -0.05 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2gtj s LEU 66 CO 0.47 -0.17 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.30 2gtj s GLY 67 N 1.34 1.71 0.04 7.98 0.00 -1.23 -1.54 107.32 115.63 2gtj s GLY 67 Ca -0.01 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.14 2gtj s GLY 67 CO -0.02 -1.61 -0.06 -1.60 0.00 0.00 0.00 173.10 169.81 2gtj s ARG 68 N -2.68 0.52 0.19 2.90 3.52 0.12 -1.39 118.95 122.13 2gtj s ARG 68 Ca 0.21 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 2gtj s ARG 68 Cb -0.08 -0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 2gtj s ARG 68 CO 0.11 0.01 0.30 0.99 -0.81 0.00 0.00 175.30 175.89 2gtj s THR 69 N -1.87 5.19 0.46 4.11 2.01 -0.82 -0.62 115.64 124.10 2gtj s THR 69 Ca -0.07 -0.87 0.25 0.00 0.31 0.00 0.00 61.69 61.31 2gtj s THR 69 Cb -0.07 -3.74 0.45 0.00 0.01 0.00 0.00 72.50 69.15 2gtj s THR 69 CO -0.01 -0.20 1.81 0.00 -0.69 0.00 0.00 174.62 175.53 2gtj h ALA 70 N 1.75 2.56 0.00 7.40 0.00 -1.92 0.32 119.26 129.37 2gtj h ALA 70 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2gtj h ALA 70 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gtj h ALA 70 CO 0.65 -0.91 0.00 2.89 0.00 0.00 0.00 179.25 181.88 2gtj n ARG 71 N -4.43 0.10 -1.19 0.00 1.85 -1.26 -4.93 116.66 106.79 2gtj n ARG 71 Ca 0.23 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 2gtj n ARG 71 Cb 0.96 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 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 0.51 -1.72 3.22 2.89 0.00 0.11 -5.09 105.19 105.11 2gtj n GLY 72 Ca 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.24 -0.18 -0.58 1.61 0.01 -1.25 -4.80 113.70 108.27 2gtj s SER 73 Ca 0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2gtj s SER 73 Cb 0.00 1.15 0.15 0.00 0.21 0.00 0.00 66.02 67.53 2gtj s SER 73 CO 0.00 -0.23 0.36 -0.31 0.41 0.00 0.00 173.24 173.47 2gtj s TYR 74 N 2.41 3.31 -0.55 2.43 1.51 -1.26 -1.95 117.35 123.24 2gtj s TYR 74 Ca -0.02 -2.93 -0.09 0.00 -1.01 0.00 0.00 57.07 53.02 2gtj s TYR 74 Cb -0.12 -3.03 0.14 0.00 -0.11 0.00 0.00 41.96 38.85 2gtj s TYR 74 CO -0.12 -0.80 0.43 0.20 -1.11 0.00 0.00 175.55 174.16 2gtj s GLY 75 N 0.24 2.22 -0.94 0.71 0.00 -0.49 -4.83 107.32 104.22 2gtj s GLY 75 Ca 0.17 -2.78 -0.21 0.00 0.00 0.00 0.00 44.72 41.90 2gtj s GLY 75 CO -0.02 1.13 2.42 -1.72 0.00 0.00 0.00 173.10 174.91 2gtj n TYR 76 N 4.53 0.44 -2.30 1.90 4.01 -1.26 -3.25 117.16 121.23 2gtj n TYR 76 Ca -0.02 0.16 -0.39 0.00 -0.16 0.00 0.00 57.90 57.50 2gtj n TYR 76 Cb 0.41 -1.61 -0.02 0.00 -0.31 0.00 0.00 39.34 37.80 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 5.89 3.16 -0.29 -0.72 -4.36 0.23 -4.28 121.20 120.83 2gtj s ILE 77 Ca 1.28 1.01 -0.29 0.00 -0.26 0.00 0.00 60.65 62.39 2gtj s ILE 77 Cb -0.90 -3.58 0.01 0.00 1.25 0.00 0.00 42.46 39.23 2gtj s ILE 77 CO 0.47 0.12 1.15 -1.59 0.24 0.00 0.00 174.94 175.34 2gtj s LYS 78 N -2.16 4.06 0.45 0.37 -2.85 -1.26 0.25 119.74 118.60 2gtj s LYS 78 Ca 0.55 1.19 0.41 0.00 -1.00 0.00 0.00 55.97 57.12 2gtj s LYS 78 Cb -0.32 -3.77 1.39 0.00 -2.06 0.00 0.00 37.83 33.08 2gtj s LYS 78 CO 0.40 -0.92 1.26 0.25 0.10 0.00 0.00 175.35 176.44 2gtj n THR 79 N 5.88 0.00 1.73 3.79 -2.24 -1.26 0.36 114.28 122.54 2gtj n THR 79 Ca 0.13 1.20 0.15 0.00 -2.27 0.00 0.00 64.05 63.26 2gtj n THR 79 Cb 0.47 -2.01 0.75 0.00 -2.10 0.00 0.00 70.33 67.44 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 -3.54 0.00 0.75 4.28 5.66 -1.26 -3.32 114.28 116.85 2gtj n THR 80 Ca 0.36 -0.10 0.10 0.00 -3.05 0.00 0.00 64.05 61.37 2gtj n THR 80 Cb 1.63 -0.09 -0.09 0.00 -1.55 0.00 0.00 70.33 70.23 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 -0.59 4.14 -2.26 1.79 0.00 0.16 -4.83 120.51 118.91 2gtj n ALA 81 Ca 0.21 -0.54 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 2gtj n ALA 81 Cb 0.22 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.12 0.57 -0.04 0.00 -7.23 -1.21 -1.26 120.40 108.12 2gtj s VAL 82 Ca 0.05 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 2gtj s VAL 82 Cb 0.16 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2gtj s VAL 82 CO 0.86 -0.27 0.06 -1.61 -0.31 0.00 0.00 175.10 173.82 2gtj s GLU 83 N -3.98 -0.06 0.79 4.82 2.02 -0.64 -4.85 118.70 116.80 2gtj s GLU 83 Ca 0.30 0.34 -0.11 0.00 0.02 0.00 0.00 54.97 55.52 2gtj s GLU 83 Cb 0.07 -0.42 0.07 0.00 0.10 0.00 0.00 34.13 33.95 2gtj s GLU 83 CO 0.08 -0.28 1.09 0.96 0.02 0.00 0.00 175.26 177.13 2gtj s ILE 84 N 1.85 3.26 -0.33 -1.63 -4.36 -1.26 -0.08 121.20 118.64 2gtj s ILE 84 Ca 0.01 0.41 -0.15 0.00 -0.26 0.00 0.00 60.65 60.65 2gtj s ILE 84 Cb -0.12 -2.94 -0.02 0.00 1.25 0.00 0.00 42.46 40.64 2gtj s ILE 84 CO -0.03 -0.53 0.36 -0.62 0.24 0.00 0.00 174.94 174.36 2gtj s ASP 85 N -3.47 6.19 0.76 4.36 2.15 -0.36 -4.78 116.67 121.52 2gtj s ASP 85 Ca 0.61 -0.17 -0.11 0.00 0.43 0.00 0.00 52.55 53.31 2gtj s ASP 85 Cb -0.17 -2.20 0.05 0.00 -0.30 0.00 0.00 42.92 40.30 2gtj s ASP 85 CO 0.56 -0.32 1.08 -0.31 -0.17 0.00 0.00 175.17 176.01 2gtj s TYR 86 N 2.03 2.90 -0.55 -5.34 2.02 -1.26 -4.54 117.35 112.61 2gtj s TYR 86 Ca 0.12 1.29 -0.26 0.00 -0.37 0.00 0.00 57.07 57.85 2gtj s TYR 86 Cb -0.16 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.33 2gtj s TYR 86 CO 0.12 -1.60 2.15 0.34 -1.57 0.00 0.00 175.55 174.98 2gtj s ASP 87 N -3.80 4.83 -0.77 2.29 2.15 -1.26 -4.87 116.67 115.23 2gtj s ASP 87 Ca 0.60 0.71 -0.24 0.00 0.43 0.00 0.00 52.55 54.05 2gtj s ASP 87 Cb -0.15 -2.51 0.06 0.00 -0.30 0.00 0.00 42.92 40.02 2gtj s ASP 87 CO 0.55 -2.65 1.16 -0.44 -0.17 0.00 0.00 175.17 173.62 2gtj s SER 88 N 10.24 6.27 -0.09 -0.34 0.01 -1.26 -4.75 113.70 123.78 2gtj s SER 88 Ca 0.83 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 57.12 2gtj s SER 88 Cb -0.15 -2.48 -0.24 0.00 0.21 0.00 0.00 66.02 63.36 2gtj s SER 88 CO 0.23 -1.53 0.48 -0.11 0.41 0.00 0.00 173.24 172.71 2gtj n LEU 89 N 8.28 1.62 -4.83 2.44 7.94 -1.26 -4.85 117.00 126.35 2gtj n LEU 89 Ca 0.07 0.29 -0.34 0.00 -1.11 0.00 0.00 56.01 54.92 2gtj n LEU 89 Cb 0.48 -0.38 -0.06 0.00 0.53 0.00 0.00 43.42 43.99 2gtj n LEU 89 CO 0.65 0.60 0.45 -0.54 -1.11 0.00 0.00 177.39 177.45 2gtj s LYS 90 N -2.57 4.15 0.50 1.96 1.02 -1.26 -5.07 119.74 118.48 2gtj s LYS 90 Ca -0.13 0.82 -0.02 0.00 0.02 0.00 0.00 55.97 56.66 2gtj s LYS 90 Cb 0.07 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 2gtj s LYS 90 CO 0.79 0.24 0.76 -0.48 -0.92 0.00 0.00 175.35 175.75 2gtj s LEU 91 N -2.55 3.49 0.27 3.17 0.05 -1.26 -4.94 118.68 116.92 2gtj s LEU 91 Ca 0.50 0.48 0.00 0.00 0.05 0.00 0.00 54.13 55.16 2gtj s LEU 91 Cb -0.13 -3.34 0.00 0.00 -2.05 0.00 0.00 46.19 40.67 2gtj s LEU 91 CO 0.19 -0.83 0.00 0.29 -0.55 0.00 0.00 176.35 175.45 2gtj n LYS 92 N -2.28 -1.82 -3.12 1.48 5.02 -1.26 -4.72 118.16 111.46 2gtj n LYS 92 Ca 0.02 1.34 -0.27 0.00 -2.02 0.00 0.00 58.31 57.38 2gtj n LYS 92 Cb 0.57 -2.17 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 2gtj n LYS 92 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gtj n LYS 93 N -3.47 2.97 -0.04 1.97 4.76 -1.26 -4.54 118.16 118.55 2gtj n LYS 93 Ca -0.02 -4.79 -0.05 0.00 -2.87 0.00 0.00 58.31 50.58 2gtj n LYS 93 Cb 0.39 -2.25 -0.07 0.00 -1.84 0.00 0.00 35.03 31.27 2gtj n LYS 93 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2gtj n ASP 94 N 0.17 2.82 0.00 4.39 8.00 -1.26 -5.04 116.55 125.62 2gtj n ASP 94 Ca 0.31 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2gtj n ASP 94 Cb 0.40 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 2gtj n ASP 94 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2gtj n LEU 95 N -2.35 0.00 0.00 0.64 7.94 -1.26 -5.25 117.00 116.71 2gtj n LEU 95 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 2gtj n LEU 95 Cb 0.79 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.74 2gtj n LEU 95 CO 0.19 0.00 0.02 1.21 -1.11 0.00 0.00 177.39 177.69