#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 2.47 -0.28 3.44 2.20 -1.26 -5.09 119.74 121.22 2gtj s LYS 2 Ca 0.00 -1.06 -0.17 0.00 -0.36 0.00 0.00 55.97 54.38 2gtj s LYS 2 Cb 0.00 -2.68 -0.03 0.00 -1.51 0.00 0.00 37.83 33.61 2gtj s LYS 2 CO 0.00 -0.41 0.47 0.21 -0.36 0.00 0.00 175.35 175.26 2gtj s LYS 3 N 1.23 3.96 -0.40 4.03 2.20 -1.26 -4.93 119.74 124.57 2gtj s LYS 3 Ca -0.02 0.13 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 2gtj s LYS 3 Cb -0.17 -3.69 0.22 0.00 -1.51 0.00 0.00 37.83 32.69 2gtj s LYS 3 CO -0.09 -0.39 0.46 -1.91 -0.36 0.00 0.00 175.35 173.07 2gtj n GLU 4 N 5.51 0.52 -0.94 4.03 4.07 -1.26 -5.10 120.64 127.48 2gtj n GLU 4 Ca -0.06 -3.17 0.12 0.00 -0.06 0.00 0.00 57.16 54.00 2gtj n GLU 4 Cb 0.50 -1.38 -0.05 0.00 -0.06 0.00 0.00 31.44 30.45 2gtj n GLU 4 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2gtj n GLN 5 N 1.94 -2.09 -3.56 5.31 1.13 -1.26 -4.69 117.38 114.15 2gtj n GLN 5 Ca 0.24 1.61 -0.40 0.00 -1.94 0.00 0.00 57.00 56.51 2gtj n GLN 5 Cb 0.51 -2.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.33 2gtj n GLN 5 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2gtj s LYS 6 N -3.14 3.04 -0.36 -1.09 3.01 -1.26 -5.00 119.74 114.94 2gtj s LYS 6 Ca 0.00 -2.60 -0.08 0.00 -1.01 0.00 0.00 55.97 52.28 2gtj s LYS 6 Cb 0.00 -4.02 0.04 0.00 -1.01 0.00 0.00 37.83 32.84 2gtj s LYS 6 CO 0.00 -1.23 0.16 -1.21 0.51 0.00 0.00 175.35 173.58 2gtj s GLU 7 N -0.14 2.66 -0.36 1.68 2.02 -1.26 -5.03 118.70 118.27 2gtj s GLU 7 Ca 0.19 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.97 2gtj s GLU 7 Cb -0.15 -3.59 0.12 0.00 0.10 0.00 0.00 34.13 30.61 2gtj s GLU 7 CO -0.06 -0.72 0.17 0.15 0.02 0.00 0.00 175.26 174.81 2gtj s LYS 8 N 1.44 0.85 0.00 1.61 1.02 -1.26 -4.96 119.74 118.44 2gtj s LYS 8 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2gtj s LYS 8 Cb -0.20 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2gtj s LYS 8 CO 0.04 -1.09 0.00 -1.91 -0.92 0.00 0.00 175.35 171.47 2gtj n GLU 9 N 4.29 0.00 -1.57 1.68 2.13 -1.26 -4.70 120.64 121.21 2gtj n GLU 9 Ca 0.04 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.85 2gtj n GLU 9 Cb 0.39 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.09 2gtj n GLU 9 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2gtj n LYS 10 N 0.00 -1.01 -0.43 5.31 4.81 -1.26 -4.94 118.16 120.64 2gtj n LYS 10 Ca 0.00 1.15 0.09 0.00 -0.87 0.00 0.00 58.31 58.68 2gtj n LYS 10 Cb 0.00 -1.69 0.30 0.00 0.02 0.00 0.00 35.03 33.66 2gtj n LYS 10 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2gtj n LYS 11 N 0.37 2.91 0.00 1.64 5.02 -1.26 -5.02 118.16 121.82 2gtj n LYS 11 Ca -0.06 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 2gtj n LYS 11 Cb 0.09 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2gtj n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gtj n GLU 12 N 1.21 0.00 -0.02 1.97 -0.58 -1.26 -4.76 120.64 117.21 2gtj n GLU 12 Ca 0.22 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.85 2gtj n GLU 12 Cb 0.66 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.39 2gtj n GLU 12 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2gtj n GLN 13 N -0.55 0.66 -0.04 3.49 1.13 -1.26 -4.09 117.38 116.72 2gtj n GLN 13 Ca 0.00 0.29 0.04 0.00 -1.94 0.00 0.00 57.00 55.39 2gtj n GLN 13 Cb 0.00 -1.78 0.40 0.00 0.11 0.00 0.00 30.24 28.98 2gtj n GLN 13 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2gtj h GLU 14 N 0.02 0.60 0.00 -1.09 4.39 -2.01 -2.27 114.58 114.22 2gtj h GLU 14 Ca -0.32 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.24 2gtj h GLU 14 Cb 2.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.52 2gtj h GLU 14 CO 0.08 0.40 -0.51 -0.84 -1.16 0.00 0.00 179.01 176.98 2gtj h ILE 15 N 0.62 1.20 -0.31 3.13 -0.00 -1.88 -0.71 117.51 119.54 2gtj h ILE 15 Ca 0.18 -1.86 -0.11 0.00 -0.00 0.00 0.00 64.86 63.08 2gtj h ILE 15 Cb -0.02 2.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.84 2gtj h ILE 15 CO -0.04 0.50 -0.26 0.11 -0.00 0.00 0.00 178.15 178.45 2gtj h LYS 16 N 0.00 0.63 0.00 0.16 1.57 -1.59 -2.70 116.57 114.64 2gtj h LYS 16 Ca -0.01 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2gtj h LYS 16 Cb 1.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2gtj h LYS 16 CO 0.07 0.83 -1.30 1.17 -0.57 0.00 0.00 179.45 179.65 2gtj n LYS 17 N -4.10 1.14 -0.05 3.15 4.81 -1.17 -1.76 118.16 120.19 2gtj n LYS 17 Ca -0.00 -0.08 -0.14 0.00 -0.87 0.00 0.00 58.31 57.21 2gtj n LYS 17 Cb 0.44 -1.26 -0.08 0.00 0.02 0.00 0.00 35.03 34.15 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 0.38 0.01 1.64 1.63 -1.01 -3.19 116.57 116.02 2gtj h LYS 18 Ca 0.00 -0.24 -0.30 0.00 -0.85 0.00 0.00 60.65 59.26 2gtj h LYS 18 Cb 0.52 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 2gtj h LYS 18 CO 0.00 0.84 -1.76 0.34 -3.45 0.00 0.00 179.45 175.42 2gtj n PHE 19 N -4.47 0.97 -1.84 1.91 -0.00 -1.03 -4.84 117.46 108.15 2gtj n PHE 19 Ca -0.07 0.34 -0.01 0.00 -0.00 0.00 0.00 57.45 57.71 2gtj n PHE 19 Cb 0.43 -1.18 0.00 0.00 -0.00 0.00 0.00 39.48 38.74 2gtj n PHE 19 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2gtj n LYS 20 N -3.06 -0.82 -0.09 -4.13 3.00 -1.10 -4.34 118.16 107.63 2gtj n LYS 20 Ca -0.19 1.04 -0.09 0.00 -0.00 0.00 0.00 58.31 59.08 2gtj n LYS 20 Cb 1.06 -2.38 -0.03 0.00 0.00 0.00 0.00 35.03 33.67 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 -0.09 1.93 -2.44 3.14 7.99 -0.72 -4.88 117.00 121.92 2gtj n LEU 21 Ca 0.01 0.36 -0.05 0.00 -0.01 0.00 0.00 56.01 56.33 2gtj n LEU 21 Cb 0.05 -0.75 -0.04 0.00 -0.11 0.00 0.00 43.42 42.57 2gtj n LEU 21 CO 0.12 -0.28 -0.59 0.35 -1.51 0.00 0.00 177.39 175.49 2gtj n THR 22 N -4.47-11.73 0.00 -5.08 -2.24 -1.26 -5.03 114.28 84.47 2gtj n THR 22 Ca -0.14 2.46 0.00 0.00 -2.27 0.00 0.00 64.05 64.11 2gtj n THR 22 Cb 0.50 -6.17 0.00 0.00 -2.10 0.00 0.00 70.33 62.56 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 1.49 2.82 3.68 3.38 0.00 -1.26 -5.01 105.19 110.29 2gtj n GLY 23 Ca -0.37 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 43.55 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 0.77 2.27 -4.40 1.61 -0.02 -1.26 -4.97 135.00 128.99 2gtj n PRO 24 Ca 0.00 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.96 2gtj n PRO 24 Cb 0.00 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 30.74 2gtj n PRO 24 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2gtj s ILE 25 N 2.25 4.11 0.38 4.25 1.10 -1.26 -5.11 121.20 126.91 2gtj s ILE 25 Ca 0.84 -0.31 0.07 0.00 -0.51 0.00 0.00 60.65 60.75 2gtj s ILE 25 Cb -0.65 -2.75 -0.01 0.00 0.15 0.00 0.00 42.46 39.20 2gtj s ILE 25 CO 0.42 0.56 0.42 0.00 -2.11 0.00 0.00 174.94 174.23 2gtj s GLN 26 N -0.42 2.79 0.14 3.50 -2.07 -1.26 -5.09 119.66 117.26 2gtj s GLN 26 Ca 0.07 -1.28 -0.28 0.00 -1.82 0.00 0.00 55.36 52.05 2gtj s GLN 26 Cb -0.12 -2.59 -0.07 0.00 -1.09 0.00 0.00 33.01 29.14 2gtj s GLN 26 CO 0.02 -0.07 0.88 0.54 -1.32 0.00 0.00 175.29 175.35 2gtj s VAL 27 N -2.33 4.40 -0.15 3.63 0.11 -1.26 -4.59 120.40 120.20 2gtj s VAL 27 Ca 0.47 1.93 -0.05 0.00 -2.93 0.00 0.00 61.98 61.39 2gtj s VAL 27 Cb -0.07 -4.25 -0.24 0.00 -1.53 0.00 0.00 36.38 30.29 2gtj s VAL 27 CO 0.29 0.42 0.23 -0.38 -3.33 0.00 0.00 175.10 172.33 2gtj n ILE 28 N 2.21 1.71 -3.84 7.04 2.08 0.89 -4.99 119.36 124.47 2gtj n ILE 28 Ca -0.01 -0.62 -0.07 0.00 0.56 0.00 0.00 62.75 62.61 2gtj n ILE 28 Cb 0.49 -1.68 -0.01 0.00 -0.75 0.00 0.00 39.64 37.69 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 -2.54 -0.12 -0.19 1.39 3.76 -1.17 -5.00 115.29 111.41 2gtj s HIS 29 Ca -0.25 -0.35 -0.05 0.00 -0.15 0.00 0.00 55.06 54.25 2gtj s HIS 29 Cb 0.07 0.72 -0.03 0.00 1.11 0.00 0.00 32.58 34.46 2gtj s HIS 29 CO 0.73 -1.23 0.00 -0.51 -0.85 0.00 0.00 174.74 172.88 2gtj s LEU 30 N -2.96 3.34 0.19 0.89 1.02 -1.26 0.13 118.68 120.03 2gtj s LEU 30 Ca 0.12 -0.15 0.04 0.00 0.02 0.00 0.00 54.13 54.17 2gtj s LEU 30 Cb -0.05 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 2gtj s LEU 30 CO 0.07 0.10 0.24 0.00 0.02 0.00 0.00 176.35 176.78 2gtj s ALA 31 N 0.80 3.78 -0.14 4.21 0.00 0.14 -0.42 121.76 130.13 2gtj s ALA 31 Ca 0.01 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 2gtj s ALA 31 Cb -0.14 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 2gtj s ALA 31 CO 0.02 0.43 -0.00 0.21 0.00 0.00 0.00 175.76 176.42 2gtj s LYS 32 N -3.42 3.50 -0.48 0.00 2.20 0.88 0.84 119.74 123.26 2gtj s LYS 32 Ca 0.33 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 55.23 2gtj s LYS 32 Cb -0.10 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 2gtj s LYS 32 CO 0.26 0.41 2.02 0.00 -0.36 0.00 0.00 175.35 177.69 2gtj s ALA 33 N -0.08 2.24 0.27 3.13 0.00 -1.26 -0.94 121.76 125.12 2gtj s ALA 33 Ca 0.04 -0.13 0.13 0.00 0.00 0.00 0.00 51.96 51.99 2gtj s ALA 33 Cb -0.13 -4.23 0.53 0.00 0.00 0.00 0.00 23.12 19.30 2gtj s ALA 33 CO 0.02 -3.66 1.69 0.00 0.00 0.00 0.00 175.76 173.82 2gtj s ASP 36 N -2.63 6.68 -0.04 0.00 -4.77 -1.26 -2.24 116.67 112.40 2gtj s ASP 36 Ca 0.09 0.55 0.03 0.00 -3.30 0.00 0.00 52.55 49.92 2gtj s ASP 36 Cb -0.02 -2.52 -0.03 0.00 -1.09 0.00 0.00 42.92 39.26 2gtj s ASP 36 CO 0.01 -1.09 -0.11 -0.69 0.70 0.00 0.00 175.17 173.99 2gtj s VAL 37 N 4.04 3.33 -0.68 2.11 1.01 0.82 -4.82 120.40 126.22 2gtj s VAL 37 Ca 0.44 -0.68 0.25 0.00 0.00 0.00 0.00 61.98 61.99 2gtj s VAL 37 Cb -0.09 -2.35 0.10 0.00 0.00 0.00 0.00 36.38 34.03 2gtj s VAL 37 CO 0.26 0.55 1.42 1.17 0.00 0.00 0.00 175.10 178.50 2gtj n LYS 38 N 2.13 0.27 -1.87 2.72 4.81 -1.26 -1.86 118.16 123.10 2gtj n LYS 38 Ca -0.17 0.11 -0.03 0.00 -0.87 0.00 0.00 58.31 57.35 2gtj n LYS 38 Cb 0.52 -1.70 0.01 0.00 0.02 0.00 0.00 35.03 33.89 2gtj n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gtj n GLY 39 N 1.34 0.43 3.62 3.14 0.00 -1.14 -4.46 105.19 108.13 2gtj n GLY 39 Ca 0.04 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.04 1.87 -0.70 -0.02 0.00 -1.26 -4.33 107.32 99.84 2gtj s GLY 40 Ca 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 2gtj s GLY 40 CO 0.16 -0.08 0.68 1.17 0.00 0.00 0.00 173.10 175.02 2gtj n LYS 41 N 3.25 -1.50 -3.38 2.90 4.81 -1.26 -4.02 118.16 118.97 2gtj n LYS 41 Ca -0.17 1.56 -0.19 0.00 -0.87 0.00 0.00 58.31 58.64 2gtj n LYS 41 Cb 0.53 -5.56 0.05 0.00 0.02 0.00 0.00 35.03 30.07 2gtj n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2gtj n ASN 42 N -1.58 -6.34 -3.54 3.14 3.02 -1.26 -5.03 115.26 103.67 2gtj n ASN 42 Ca 0.00 -0.74 -0.22 0.00 -0.03 0.00 0.00 54.58 53.59 2gtj n ASN 42 Cb 0.51 -4.56 -0.07 0.00 -0.61 0.00 0.00 39.78 35.05 2gtj n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gtj n GLU 43 N -3.34 0.51 -3.80 3.52 1.02 -1.25 -4.34 120.64 112.96 2gtj n GLU 43 Ca -0.08 -3.27 -0.37 0.00 -0.02 0.00 0.00 57.16 53.43 2gtj n GLU 43 Cb 0.60 2.11 -0.06 0.00 -0.02 0.00 0.00 31.44 34.07 2gtj n GLU 43 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2gtj s LEU 44 N 0.00 4.40 -0.34 -4.62 0.20 -1.24 -4.59 118.68 112.49 2gtj s LEU 44 Ca 0.27 0.56 -0.17 0.00 0.69 0.00 0.00 54.13 55.48 2gtj s LEU 44 Cb 0.01 -2.27 -0.01 0.00 -0.43 0.00 0.00 46.19 43.49 2gtj s LEU 44 CO 0.19 0.37 0.47 -0.94 -0.29 0.00 0.00 176.35 176.14 2gtj s SER 45 N -1.18 6.29 0.32 3.68 1.04 -1.26 -2.90 113.70 119.68 2gtj s SER 45 Ca 0.19 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.60 2gtj s SER 45 Cb -0.13 -2.25 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 2gtj s SER 45 CO 0.08 -0.41 0.39 0.72 0.98 0.00 0.00 173.24 175.00 2gtj s PHE 46 N 2.27 1.19 0.01 5.02 -0.12 -0.77 -4.94 117.98 120.64 2gtj s PHE 46 Ca 0.17 -1.35 0.02 0.00 -0.05 0.00 0.00 56.93 55.72 2gtj s PHE 46 Cb -0.16 -0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 2gtj s PHE 46 CO 0.12 -1.01 -0.07 0.15 -0.05 0.00 0.00 175.22 174.36 2gtj s LYS 47 N -3.34 0.56 -0.39 1.99 1.02 -1.26 -0.13 119.74 118.19 2gtj s LYS 47 Ca 0.33 -0.38 -0.35 0.00 0.02 0.00 0.00 55.97 55.59 2gtj s LYS 47 Cb 0.01 -0.50 -0.15 0.00 -0.52 0.00 0.00 37.83 36.67 2gtj s LYS 47 CO 0.20 0.13 1.60 0.94 -0.92 0.00 0.00 175.35 177.31 2gtj n GLN 48 N 2.54 0.00 -0.45 1.68 0.00 -0.95 -0.40 117.38 119.80 2gtj n GLN 48 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 2gtj n GLN 48 Cb 0.57 -1.18 0.00 0.00 0.00 0.00 0.00 30.24 29.62 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 5.37 0.72 0.18 1.69 0.00 -0.45 -4.90 105.19 107.81 2gtj n GLY 49 Ca 0.40 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.01 0.00 -3.64 1.61 4.39 -0.98 -3.48 114.58 112.49 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 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2gtj h GLU 50 CO 0.00 0.40 -0.63 0.94 -1.16 0.00 0.00 179.01 178.56 2gtj n GLN 51 N -3.49 -2.26 -4.02 2.33 -0.06 -1.26 -4.86 117.38 103.76 2gtj n GLN 51 Ca 0.00 1.94 -0.23 0.00 -2.00 0.00 0.00 57.00 56.72 2gtj n GLN 51 Cb 0.54 -2.72 -0.06 0.00 -4.06 0.00 0.00 30.24 23.95 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 -0.30 2.99 -0.00 1.69 1.01 0.25 -4.33 121.20 122.51 2gtj s ILE 52 Ca -0.08 -1.62 0.07 0.00 0.00 0.00 0.00 60.65 59.02 2gtj s ILE 52 Cb 0.01 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 2gtj s ILE 52 CO 0.22 -0.15 -0.23 -1.61 0.00 0.00 0.00 174.94 173.17 2gtj s GLU 53 N -3.89 1.77 -0.32 2.79 2.02 0.16 0.26 118.70 121.49 2gtj s GLU 53 Ca 0.39 -0.86 -0.13 0.00 0.02 0.00 0.00 54.97 54.39 2gtj s GLU 53 Cb -0.02 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 2gtj s GLU 53 CO 0.24 0.47 0.28 -1.50 0.02 0.00 0.00 175.26 174.77 2gtj s ILE 54 N -0.59 5.24 -0.22 -1.63 1.10 0.12 -0.84 121.20 124.38 2gtj s ILE 54 Ca 0.09 0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.24 2gtj s ILE 54 Cb -0.09 -3.71 -0.14 0.00 0.15 0.00 0.00 42.46 38.68 2gtj s ILE 54 CO -0.00 0.03 -0.20 2.30 -2.11 0.00 0.00 174.94 174.95 2gtj n ILE 55 N 5.14 1.23 -4.29 2.00 -0.00 -0.73 -0.07 119.36 122.64 2gtj n ILE 55 Ca -0.11 -0.45 -0.19 0.00 -0.00 0.00 0.00 62.75 62.00 2gtj n ILE 55 Cb 0.50 -1.33 -0.15 0.00 -0.00 0.00 0.00 39.64 38.66 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 -2.43 0.76 0.00 6.28 6.06 -1.13 -4.61 118.95 123.87 2gtj s ARG 56 Ca -0.29 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 52.69 2gtj s ARG 56 Cb 0.08 -0.73 0.00 0.00 0.06 0.00 0.00 34.95 34.36 2gtj s ARG 56 CO 0.48 0.09 0.00 0.44 -2.50 0.00 0.00 175.30 173.82 2gtj n ILE 57 N 3.26 0.00 -2.86 4.11 -0.00 -1.26 -0.47 119.36 122.14 2gtj n ILE 57 Ca -0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 62.75 62.30 2gtj n ILE 57 Cb 0.55 -0.46 -0.01 0.00 -0.00 0.00 0.00 39.64 39.72 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 -1.75 4.92 -0.88 7.28 -4.23 -1.26 -4.42 115.64 115.29 2gtj s THR 58 Ca 0.00 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.67 2gtj s THR 58 Cb 0.00 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 2gtj s THR 58 CO 0.00 -0.67 0.74 -0.67 -0.54 0.00 0.00 174.62 173.48 2gtj n ASP 59 N -1.81 -6.65 -4.50 3.99 2.03 -1.26 -5.01 116.55 103.33 2gtj n ASP 59 Ca 0.00 -0.51 -0.33 0.00 0.52 0.00 0.00 54.79 54.47 2gtj n ASP 59 Cb 0.55 -4.33 -0.12 0.00 -0.72 0.00 0.00 41.12 36.50 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 -3.15 4.35 0.16 1.67 2.20 -1.26 -4.75 114.94 114.15 2gtj s ASN 60 Ca 0.17 -0.14 0.03 0.00 -0.94 0.00 0.00 52.86 51.98 2gtj s ASN 60 Cb -0.04 -1.22 -0.04 0.00 -2.00 0.00 0.00 41.25 37.95 2gtj s ASN 60 CO 0.79 0.30 1.36 -0.65 -2.94 0.00 0.00 177.10 175.96 2gtj h PRO 61 N 5.72 0.16 0.00 3.55 0.11 -1.89 -3.39 132.00 136.26 2gtj h PRO 61 Ca -0.42 -0.18 -0.19 0.00 0.11 0.00 0.00 66.00 65.32 2gtj h PRO 61 Cb 1.18 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2gtj h PRO 61 CO 0.54 0.96 -1.73 -1.91 -0.21 0.00 0.00 178.00 175.64 2gtj n GLU 62 N -3.61 1.34 0.00 1.05 2.13 -1.26 -5.00 120.64 115.29 2gtj n GLU 62 Ca -0.03 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2gtj n GLU 62 Cb 0.83 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 31.28 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 2.61 1.22 3.88 8.31 0.00 -1.26 -5.10 105.19 114.84 2gtj n GLY 63 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.11 3.22 0.56 1.61 -2.85 -1.26 -4.80 119.74 116.11 2gtj s LYS 64 Ca 0.00 0.56 0.08 0.00 -1.00 0.00 0.00 55.97 55.61 2gtj s LYS 64 Cb 0.00 -2.07 0.07 0.00 -2.06 0.00 0.00 37.83 33.77 2gtj s LYS 64 CO 0.00 -0.78 0.77 -1.58 0.10 0.00 0.00 175.35 173.86 2gtj s TRP 65 N -3.24 1.72 -0.28 1.78 0.51 0.40 -4.87 118.94 114.96 2gtj s TRP 65 Ca 0.56 -0.60 -0.00 0.00 -2.12 0.00 0.00 56.10 53.93 2gtj s TRP 65 Cb -0.11 -2.33 0.05 0.00 -0.81 0.00 0.00 33.47 30.27 2gtj s TRP 65 CO 0.52 -1.06 -0.04 -1.17 -0.51 0.00 0.00 176.95 174.69 2gtj s LEU 66 N -4.65 3.63 0.25 2.99 2.96 0.38 -0.29 118.68 123.95 2gtj s LEU 66 Ca 0.61 -1.24 0.10 0.00 -0.22 0.00 0.00 54.13 53.38 2gtj s LEU 66 Cb -0.07 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2gtj s LEU 66 CO 0.38 -0.22 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.30 2gtj s GLY 67 N 1.22 1.72 0.01 7.98 0.00 -1.13 -1.77 107.32 115.35 2gtj s GLY 67 Ca -0.05 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 42.99 2gtj s GLY 67 CO -0.03 -1.73 -0.00 -1.60 0.00 0.00 0.00 173.10 169.74 2gtj s ARG 68 N -3.46 0.26 0.34 2.90 3.52 -0.02 -1.41 118.95 121.08 2gtj s ARG 68 Ca 0.30 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.51 2gtj s ARG 68 Cb -0.07 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.41 2gtj s ARG 68 CO 0.18 -0.05 0.45 0.95 -0.81 0.00 0.00 175.30 176.02 2gtj s THR 69 N -1.13 3.92 0.50 4.11 -4.23 -0.99 0.39 115.64 118.21 2gtj s THR 69 Ca -0.12 -1.06 0.18 0.00 -1.18 0.00 0.00 61.69 59.51 2gtj s THR 69 Cb -0.08 -3.35 0.33 0.00 1.34 0.00 0.00 72.50 70.75 2gtj s THR 69 CO -0.01 -0.15 2.05 0.00 -0.54 0.00 0.00 174.62 175.97 2gtj h ALA 70 N 0.93 2.17 0.00 3.99 0.00 -1.89 0.25 119.26 124.71 2gtj h ALA 70 Ca -0.45 -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 19.03 2gtj h ALA 70 CO 0.53 -0.25 0.00 2.89 0.00 0.00 0.00 179.25 182.42 2gtj n ARG 71 N -4.46 0.22 -1.37 0.00 1.85 -1.26 -4.94 116.66 106.70 2gtj n ARG 71 Ca 0.05 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 2gtj n ARG 71 Cb 0.34 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 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 0.21 -2.26 3.26 2.89 0.00 0.88 -5.09 105.19 105.08 2gtj n GLY 72 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.15 -0.26 -0.67 1.61 0.01 -1.25 -4.92 113.70 108.06 2gtj s SER 73 Ca 0.00 0.97 -0.06 0.00 1.31 0.00 0.00 55.95 58.17 2gtj s SER 73 Cb 0.00 1.29 0.18 0.00 0.21 0.00 0.00 66.02 67.69 2gtj s SER 73 CO 0.00 -0.23 0.52 -0.31 0.41 0.00 0.00 173.24 173.64 2gtj s TYR 74 N 2.51 3.51 -0.42 2.43 1.51 -1.26 -2.34 117.35 123.30 2gtj s TYR 74 Ca -0.02 -2.49 -0.09 0.00 -1.01 0.00 0.00 57.07 53.46 2gtj s TYR 74 Cb -0.12 -3.38 0.08 0.00 -0.11 0.00 0.00 41.96 38.43 2gtj s TYR 74 CO -0.13 -0.89 0.25 0.20 -1.11 0.00 0.00 175.55 173.88 2gtj s GLY 75 N 1.16 1.96 -0.87 0.71 0.00 -0.50 -4.82 107.32 104.96 2gtj s GLY 75 Ca 0.17 -2.15 -0.25 0.00 0.00 0.00 0.00 44.72 42.48 2gtj s GLY 75 CO -0.05 0.97 2.50 -1.72 0.00 0.00 0.00 173.10 174.80 2gtj n TYR 76 N 4.90 0.68 -2.71 1.90 4.02 -1.26 -2.83 117.16 121.87 2gtj n TYR 76 Ca -0.10 0.21 -0.35 0.00 -0.01 0.00 0.00 57.90 57.65 2gtj n TYR 76 Cb 0.43 -2.06 -0.06 0.00 -0.02 0.00 0.00 39.34 37.63 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 8.33 4.10 -0.34 -0.72 -4.36 0.60 -3.93 121.20 124.88 2gtj s ILE 77 Ca 1.23 1.51 -0.29 0.00 -0.26 0.00 0.00 60.65 62.84 2gtj s ILE 77 Cb -0.84 -3.73 0.01 0.00 1.25 0.00 0.00 42.46 39.14 2gtj s ILE 77 CO 0.42 -0.08 1.28 -1.59 0.24 0.00 0.00 174.94 175.21 2gtj s LYS 78 N -2.65 3.86 0.29 0.37 -2.85 -1.26 -0.46 119.74 117.04 2gtj s LYS 78 Ca 0.58 1.10 0.13 0.00 -1.00 0.00 0.00 55.97 56.78 2gtj s LYS 78 Cb -0.16 -3.89 0.98 0.00 -2.06 0.00 0.00 37.83 32.70 2gtj s LYS 78 CO 0.21 -1.20 1.31 0.25 0.10 0.00 0.00 175.35 176.02 2gtj n THR 79 N 6.38 -0.35 0.31 3.79 -2.24 -1.26 -0.01 114.28 120.91 2gtj n THR 79 Ca 0.14 1.73 0.20 0.00 -2.27 0.00 0.00 64.05 63.86 2gtj n THR 79 Cb 0.47 -2.73 1.02 0.00 -2.10 0.00 0.00 70.33 67.00 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 0.05 0.00 4.28 1.03 -1.98 -2.44 112.91 113.85 2gtj h THR 80 Ca 0.65 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.85 2gtj h THR 80 Cb 1.63 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 2gtj h THR 80 CO -0.68 0.01 -0.19 0.00 -0.01 0.00 0.00 175.52 174.65 2gtj n ALA 81 N -2.10 2.60 -2.43 0.00 0.00 0.99 -4.83 120.51 114.74 2gtj n ALA 81 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 2gtj n ALA 81 Cb 0.15 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 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 -3.06 1.42 -0.22 0.00 -7.23 -0.92 -0.58 120.40 109.81 2gtj s VAL 82 Ca 0.11 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2gtj s VAL 82 Cb 0.15 -2.57 0.07 0.00 0.56 0.00 0.00 36.38 34.59 2gtj s VAL 82 CO 0.61 -0.19 0.04 -1.61 -0.31 0.00 0.00 175.10 173.64 2gtj s GLU 83 N -3.80 0.76 0.60 4.82 2.02 -0.11 -4.77 118.70 118.22 2gtj s GLU 83 Ca 0.32 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.55 2gtj s GLU 83 Cb 0.06 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 2gtj s GLU 83 CO 0.13 -0.71 1.05 0.96 0.02 0.00 0.00 175.26 176.70 2gtj s ILE 84 N 1.77 4.00 -0.44 -1.63 -4.36 -1.26 -0.08 121.20 119.20 2gtj s ILE 84 Ca 0.01 0.88 -0.17 0.00 -0.26 0.00 0.00 60.65 61.10 2gtj s ILE 84 Cb -0.17 -3.46 0.03 0.00 1.25 0.00 0.00 42.46 40.11 2gtj s ILE 84 CO -0.12 -0.63 0.44 -0.62 0.24 0.00 0.00 174.94 174.25 2gtj s ASP 85 N -3.09 6.18 0.00 4.36 2.15 0.43 -4.74 116.67 121.96 2gtj s ASP 85 Ca 0.61 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.78 2gtj s ASP 85 Cb -0.14 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2gtj s ASP 85 CO 0.40 -0.61 0.00 0.00 -0.17 0.00 0.00 175.17 174.79 2gtj n TYR 86 N 5.56 0.00 -2.96 -5.34 4.11 -1.26 -4.50 117.16 112.77 2gtj n TYR 86 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.81 2gtj n TYR 86 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.81 2gtj n TYR 86 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2gtj n ASP 87 N 0.00 -6.64 -2.19 9.48 2.03 -1.26 -4.91 116.55 113.06 2gtj n ASP 87 Ca 0.00 0.92 -0.29 0.00 0.52 0.00 0.00 54.79 55.94 2gtj n ASP 87 Cb 0.11 -3.25 0.07 0.00 -0.72 0.00 0.00 41.12 37.33 2gtj n ASP 87 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2gtj n SER 88 N 1.27 7.14 0.05 1.67 7.64 -1.26 -4.52 113.62 125.60 2gtj n SER 88 Ca -0.04 -3.57 -0.12 0.00 1.01 0.00 0.00 58.87 56.16 2gtj n SER 88 Cb 0.28 -0.99 -0.08 0.00 -1.01 0.00 0.00 64.21 62.41 2gtj n SER 88 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2gtj h LEU 89 N 2.08 -0.16 -2.72 -3.43 3.38 -2.07 -3.48 115.31 108.91 2gtj h LEU 89 Ca 0.52 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2gtj h LEU 89 Cb 0.94 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2gtj h LEU 89 CO 1.33 0.36 -0.42 1.17 0.09 0.00 0.00 178.44 180.96 2gtj n LYS 90 N -4.93 -1.65 -1.68 1.13 4.81 -1.26 -4.86 118.16 109.72 2gtj n LYS 90 Ca -0.08 1.49 -0.42 0.00 -0.87 0.00 0.00 58.31 58.42 2gtj n LYS 90 Cb 0.27 -4.77 -0.03 0.00 0.02 0.00 0.00 35.03 30.52 2gtj n LYS 90 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2gtj n LEU 91 N -1.49 4.05 -4.69 3.14 7.94 -1.26 -4.93 117.00 119.76 2gtj n LEU 91 Ca -0.04 0.97 -0.42 0.00 -1.11 0.00 0.00 56.01 55.40 2gtj n LEU 91 Cb 0.54 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.93 2gtj n LEU 91 CO 0.54 0.17 0.88 -0.54 -1.11 0.00 0.00 177.39 177.34 2gtj s LYS 92 N 3.15 4.39 0.28 1.96 1.02 -1.26 -5.00 119.74 124.28 2gtj s LYS 92 Ca 0.84 1.57 0.01 0.00 0.02 0.00 0.00 55.97 58.41 2gtj s LYS 92 Cb -0.48 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 2gtj s LYS 92 CO 0.39 -0.37 0.27 -1.59 -0.92 0.00 0.00 175.35 173.13 2gtj s LYS 93 N 2.00 1.56 0.00 1.68 -2.85 -1.26 -5.17 119.74 115.70 2gtj s LYS 93 Ca 0.53 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 2gtj s LYS 93 Cb -0.23 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 2gtj s LYS 93 CO 0.21 -0.57 0.00 -0.40 0.10 0.00 0.00 175.35 174.69 2gtj n ASP 94 N -0.96 1.46 -4.58 0.03 5.75 -1.26 -5.03 116.55 111.96 2gtj n ASP 94 Ca 0.04 -0.09 -0.42 0.00 -0.01 0.00 0.00 54.79 54.30 2gtj n ASP 94 Cb 0.64 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.70 2gtj n ASP 94 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2gtj s LEU 95 N 0.00 3.45 0.00 -2.12 1.43 -1.26 -5.29 118.68 114.90 2gtj s LEU 95 Ca 0.00 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2gtj s LEU 95 Cb 0.00 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2gtj s LEU 95 CO 0.00 -1.64 0.00 1.21 0.23 0.00 0.00 176.35 176.15