#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 4.09 0.38 3.49 1.02 -1.26 -4.98 119.74 122.48 2gtj s LYS 2 Ca 0.00 1.24 -0.27 0.00 0.02 0.00 0.00 55.97 56.96 2gtj s LYS 2 Cb 0.00 -3.75 -0.10 0.00 -0.52 0.00 0.00 37.83 33.46 2gtj s LYS 2 CO 0.00 -0.87 1.35 0.21 -0.92 0.00 0.00 175.35 175.12 2gtj s LYS 3 N 3.65 4.11 -0.42 1.68 2.20 -1.26 -4.83 119.74 124.88 2gtj s LYS 3 Ca 0.49 2.28 -0.35 0.00 -0.36 0.00 0.00 55.97 58.03 2gtj s LYS 3 Cb -0.15 -2.90 -0.12 0.00 -1.51 0.00 0.00 37.83 33.15 2gtj s LYS 3 CO 0.15 -0.42 2.25 0.39 -0.36 0.00 0.00 175.35 177.36 2gtj n GLU 4 N 0.41 0.92 0.00 4.03 4.71 -1.26 -4.77 120.64 124.68 2gtj n GLU 4 Ca 0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 2gtj n GLU 4 Cb 0.42 -2.42 0.00 0.00 -1.01 0.00 0.00 31.44 28.43 2gtj n GLU 4 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gtj n GLN 5 N 8.26 0.72 -0.02 3.49 10.64 -1.26 -3.79 117.38 135.41 2gtj n GLN 5 Ca 0.44 -0.76 -0.11 0.00 -1.83 0.00 0.00 57.00 54.73 2gtj n GLN 5 Cb 0.23 -0.83 -0.09 0.00 -0.86 0.00 0.00 30.24 28.68 2gtj n GLN 5 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 2gtj h LYS 6 N 0.00 -0.06 0.01 2.61 3.64 -2.00 -3.38 116.57 117.39 2gtj h LYS 6 Ca 0.00 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.01 2gtj h LYS 6 Cb 0.43 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2gtj h LYS 6 CO 0.00 0.58 -2.09 -1.91 -2.27 0.00 0.00 179.45 173.76 2gtj n GLU 7 N -4.76 0.60 -2.28 1.90 2.13 -1.26 -5.10 120.64 111.87 2gtj n GLU 7 Ca -0.08 0.35 -0.00 0.00 0.66 0.00 0.00 57.16 58.09 2gtj n GLU 7 Cb 0.33 -1.59 -0.00 0.00 0.27 0.00 0.00 31.44 30.44 2gtj n GLU 7 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2gtj n LYS 8 N -4.16 -4.88 0.00 5.31 4.81 -1.25 -4.56 118.16 113.44 2gtj n LYS 8 Ca -0.45 3.57 0.00 0.00 -0.87 0.00 0.00 58.31 60.56 2gtj n LYS 8 Cb 0.84 -4.50 0.00 0.00 0.02 0.00 0.00 35.03 31.40 2gtj n LYS 8 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2gtj n GLU 9 N 1.72 0.00 -3.03 1.64 -0.58 -1.26 -4.82 120.64 114.30 2gtj n GLU 9 Ca -0.02 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.63 2gtj n GLU 9 Cb 0.03 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.91 2gtj n GLU 9 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2gtj n LYS 10 N 0.00 -2.05 -3.42 3.49 3.00 -1.26 -5.03 118.16 112.89 2gtj n LYS 10 Ca 0.00 1.82 -0.20 0.00 -0.00 0.00 0.00 58.31 59.93 2gtj n LYS 10 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 35.03 31.46 2gtj n LYS 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2gtj n LYS 11 N 0.51 1.01 -0.69 1.64 5.02 -1.26 -5.03 118.16 119.35 2gtj n LYS 11 Ca 0.01 -2.47 0.02 0.00 -2.02 0.00 0.00 58.31 53.84 2gtj n LYS 11 Cb 0.37 0.43 0.02 0.00 -0.02 0.00 0.00 35.03 35.82 2gtj n LYS 11 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2gtj n GLU 12 N -1.20 0.12 -0.01 1.97 0.28 -1.26 -4.85 120.64 115.68 2gtj n GLU 12 Ca -0.07 -1.38 -0.22 0.00 -0.16 0.00 0.00 57.16 55.34 2gtj n GLU 12 Cb 0.44 -0.49 -0.13 0.00 1.43 0.00 0.00 31.44 32.69 2gtj n GLU 12 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2gtj n GLN 13 N -0.02 0.72 0.00 3.44 -0.06 -1.26 -4.20 117.38 116.01 2gtj n GLN 13 Ca 0.03 0.32 0.00 0.00 -2.00 0.00 0.00 57.00 55.35 2gtj n GLN 13 Cb 0.79 -1.72 0.00 0.00 -4.06 0.00 0.00 30.24 25.26 2gtj n GLN 13 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2gtj n GLU 14 N -3.67 0.83 -0.02 3.69 -0.58 -1.26 -2.78 120.64 116.85 2gtj n GLU 14 Ca -0.32 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.37 2gtj n GLU 14 Cb 0.98 -1.41 -0.13 0.00 -0.57 0.00 0.00 31.44 30.31 2gtj n GLU 14 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2gtj n ILE 15 N 0.09 1.36 -0.16 -3.67 -6.64 -1.26 -3.70 119.36 105.39 2gtj n ILE 15 Ca 0.00 -0.76 -0.10 0.00 -1.77 0.00 0.00 62.75 60.11 2gtj n ILE 15 Cb 0.21 -0.78 -0.00 0.00 -1.44 0.00 0.00 39.64 37.63 2gtj n ILE 15 CO 0.00 0.00 0.00 0.07 -1.77 0.00 0.00 176.55 174.85 2gtj h LYS 16 N 0.00 0.86 -0.02 6.28 2.10 -1.81 -2.15 116.57 121.83 2gtj h LYS 16 Ca -0.29 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2gtj h LYS 16 Cb 1.89 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.15 2gtj h LYS 16 CO 0.05 0.92 -0.02 1.17 -2.00 0.00 0.00 179.45 179.57 2gtj n LYS 17 N -4.31 1.88 -0.03 0.07 4.81 -1.26 -1.98 118.16 117.33 2gtj n LYS 17 Ca 0.00 -1.32 -0.01 0.00 -0.87 0.00 0.00 58.31 56.11 2gtj n LYS 17 Cb 0.33 -1.47 -0.00 0.00 0.02 0.00 0.00 35.03 33.91 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 3.22 0.00 0.00 1.64 1.63 -1.49 -3.38 116.57 118.20 2gtj h LYS 18 Ca 0.00 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 2gtj h LYS 18 Cb 0.70 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2gtj h LYS 18 CO 0.00 0.00 -0.56 0.35 -3.45 0.00 0.00 179.45 175.79 2gtj h PHE 19 N -0.48 0.00 -4.28 1.91 3.04 -1.61 -3.49 116.94 112.04 2gtj h PHE 19 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2gtj h PHE 19 Cb 0.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.64 2gtj h PHE 19 CO -0.06 0.56 -0.54 1.63 -2.02 0.00 0.00 178.31 177.88 2gtj n LYS 20 N -3.29 -1.97 -0.03 1.11 5.02 -0.84 -4.87 118.16 113.29 2gtj n LYS 20 Ca 0.01 1.80 -0.01 0.00 -2.02 0.00 0.00 58.31 58.10 2gtj n LYS 20 Cb 0.73 -3.68 -0.14 0.00 -0.02 0.00 0.00 35.03 31.93 2gtj n LYS 20 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2gtj n LEU 21 N 0.28 0.25 0.00 -0.35 7.99 -1.13 -4.97 117.00 119.07 2gtj n LEU 21 Ca 0.01 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 2gtj n LEU 21 Cb 0.05 0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2gtj n LEU 21 CO 0.27 0.24 0.00 0.35 -1.51 0.00 0.00 177.39 176.74 2gtj n THR 22 N -2.64 0.00 -4.22 -5.08 -2.24 -1.26 -4.78 114.28 94.06 2gtj n THR 22 Ca -0.17 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.43 2gtj n THR 22 Cb 0.88 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 2gtj n THR 22 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gtj s GLY 23 N 0.00 2.03 0.94 3.38 0.00 -1.26 -5.16 107.32 107.25 2gtj s GLY 23 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 44.72 42.71 2gtj s GLY 23 CO 0.00 -1.32 1.12 2.56 0.00 0.00 0.00 173.10 175.45 2gtj s PRO 24 N -3.36 0.89 -0.22 2.90 0.04 -1.26 -5.08 135.00 128.90 2gtj s PRO 24 Ca 0.38 0.39 -0.15 0.00 0.04 0.00 0.00 61.00 61.66 2gtj s PRO 24 Cb 0.02 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.82 2gtj s PRO 24 CO 0.25 -2.39 0.55 -1.50 0.04 0.00 0.00 177.00 173.94 2gtj s ILE 25 N -3.15 -0.01 0.84 0.56 1.10 -1.26 -5.14 121.20 114.15 2gtj s ILE 25 Ca 0.64 0.03 -0.13 0.00 -0.51 0.00 0.00 60.65 60.69 2gtj s ILE 25 Cb -0.16 -0.79 0.11 0.00 0.15 0.00 0.00 42.46 41.77 2gtj s ILE 25 CO 0.55 0.01 1.20 0.00 -2.11 0.00 0.00 174.94 174.60 2gtj s GLN 26 N 1.14 1.61 0.05 3.50 -2.07 -1.26 -5.02 119.66 117.61 2gtj s GLN 26 Ca -0.07 -0.08 -0.28 0.00 -1.82 0.00 0.00 55.36 53.11 2gtj s GLN 26 Cb -0.06 -1.94 -0.05 0.00 -1.09 0.00 0.00 33.01 29.87 2gtj s GLN 26 CO -0.11 -1.79 0.89 0.54 -1.32 0.00 0.00 175.29 173.50 2gtj s VAL 27 N -3.63 4.70 -0.10 3.63 0.11 -1.26 -4.63 120.40 119.22 2gtj s VAL 27 Ca 0.65 1.90 -0.04 0.00 -2.93 0.00 0.00 61.98 61.57 2gtj s VAL 27 Cb -0.09 -4.25 -0.26 0.00 -1.53 0.00 0.00 36.38 30.25 2gtj s VAL 27 CO 0.50 0.28 0.46 0.40 -3.33 0.00 0.00 175.10 173.41 2gtj h ILE 28 N 4.32 0.71 -2.88 7.04 5.03 -0.95 -3.49 117.51 127.28 2gtj h ILE 28 Ca -0.42 -2.43 0.08 0.00 -0.12 0.00 0.00 64.86 61.96 2gtj h ILE 28 Cb 1.21 2.53 -0.05 0.00 -3.03 0.00 0.00 36.82 37.48 2gtj h ILE 28 CO 0.73 0.83 0.29 -1.00 -0.68 0.00 0.00 178.15 178.32 2gtj s HIS 29 N -2.57 -0.13 -0.12 1.37 3.76 -1.18 -5.01 115.29 111.41 2gtj s HIS 29 Ca -0.18 -0.33 -0.00 0.00 -0.15 0.00 0.00 55.06 54.39 2gtj s HIS 29 Cb 0.07 0.72 -0.02 0.00 1.11 0.00 0.00 32.58 34.45 2gtj s HIS 29 CO 0.79 -1.21 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.86 2gtj s LEU 30 N -2.96 2.91 0.28 0.89 1.02 -1.26 -0.04 118.68 119.53 2gtj s LEU 30 Ca 0.12 -0.22 0.07 0.00 0.02 0.00 0.00 54.13 54.12 2gtj s LEU 30 Cb -0.05 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 2gtj s LEU 30 CO 0.07 0.22 0.26 0.00 0.02 0.00 0.00 176.35 176.91 2gtj s ALA 31 N 0.06 3.74 -0.17 4.21 0.00 0.22 -0.33 121.76 129.48 2gtj s ALA 31 Ca -0.03 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2gtj s ALA 31 Cb -0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2gtj s ALA 31 CO 0.04 0.17 0.01 0.21 0.00 0.00 0.00 175.76 176.18 2gtj s LYS 32 N -3.92 3.78 -0.60 0.00 2.20 0.13 0.19 119.74 121.52 2gtj s LYS 32 Ca 0.36 -0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.25 2gtj s LYS 32 Cb -0.08 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2gtj s LYS 32 CO 0.26 0.23 1.58 0.00 -0.36 0.00 0.00 175.35 177.06 2gtj s ALA 33 N 0.44 2.56 -1.65 3.13 0.00 -1.26 -1.38 121.76 123.60 2gtj s ALA 33 Ca -0.01 -0.75 0.28 0.00 0.00 0.00 0.00 51.96 51.48 2gtj s ALA 33 Cb -0.14 -4.21 1.07 0.00 0.00 0.00 0.00 23.12 19.85 2gtj s ALA 33 CO 0.02 -3.35 1.76 0.00 0.00 0.00 0.00 175.76 174.19 2gtj s ASP 36 N -0.24 6.22 0.11 0.00 -4.77 -1.26 -3.63 116.67 113.10 2gtj s ASP 36 Ca 0.03 -1.28 0.08 0.00 -3.30 0.00 0.00 52.55 48.07 2gtj s ASP 36 Cb -0.03 -2.37 -0.04 0.00 -1.09 0.00 0.00 42.92 39.39 2gtj s ASP 36 CO -0.00 -1.27 -0.12 0.54 0.70 0.00 0.00 175.17 175.02 2gtj s VAL 37 N 3.34 3.22 -0.25 2.11 0.11 -0.07 -4.90 120.40 123.97 2gtj s VAL 37 Ca 0.18 -1.34 0.09 0.00 -2.93 0.00 0.00 61.98 57.99 2gtj s VAL 37 Cb -0.19 -2.50 0.44 0.00 -1.53 0.00 0.00 36.38 32.60 2gtj s VAL 37 CO 0.07 0.10 1.23 2.29 -3.33 0.00 0.00 175.10 175.46 2gtj n LYS 38 N 0.71 2.39 -0.32 1.54 0.00 -1.26 -2.01 118.16 119.21 2gtj n LYS 38 Ca -0.14 -3.64 0.00 0.00 -0.00 0.00 0.00 58.31 54.54 2gtj n LYS 38 Cb 0.52 -1.89 0.00 0.00 -0.00 0.00 0.00 35.03 33.67 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 -0.96 0.86 3.61 2.58 0.00 -1.25 -4.87 105.19 105.16 2gtj n GLY 39 Ca 0.30 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.12 1.74 -1.08 -0.02 0.00 -1.26 -3.73 107.32 100.85 2gtj s GLY 40 Ca 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 44.72 44.16 2gtj s GLY 40 CO 0.00 1.63 0.62 0.28 0.00 0.00 0.00 173.10 175.63 2gtj n LYS 41 N 6.07 -4.50 -2.50 2.90 4.76 -1.26 -4.15 118.16 119.47 2gtj n LYS 41 Ca 0.02 0.64 -0.01 0.00 -2.87 0.00 0.00 58.31 56.10 2gtj n LYS 41 Cb 0.48 -5.00 0.00 0.00 -1.84 0.00 0.00 35.03 28.67 2gtj n LYS 41 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2gtj n ASN 42 N -1.54 -6.94 -1.86 4.39 5.15 -1.24 -5.09 115.26 108.13 2gtj n ASN 42 Ca -0.05 1.12 -0.07 0.00 -0.60 0.00 0.00 54.58 54.99 2gtj n ASN 42 Cb 0.57 -4.56 -0.02 0.00 -0.53 0.00 0.00 39.78 35.24 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2gtj n GLU 43 N 0.51 0.35 -3.64 1.20 4.07 -1.26 -4.74 120.64 117.13 2gtj n GLU 43 Ca 0.01 -1.04 -0.33 0.00 -0.06 0.00 0.00 57.16 55.74 2gtj n GLU 43 Cb 0.03 0.76 -0.05 0.00 -0.06 0.00 0.00 31.44 32.12 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 4.29 -0.34 4.31 0.20 -1.25 -4.63 118.68 121.27 2gtj s LEU 44 Ca 0.10 0.66 -0.15 0.00 0.69 0.00 0.00 54.13 55.43 2gtj s LEU 44 Cb 0.01 -3.18 -0.01 0.00 -0.43 0.00 0.00 46.19 42.57 2gtj s LEU 44 CO 0.07 0.10 0.38 -0.44 -0.29 0.00 0.00 176.35 176.17 2gtj s SER 45 N -2.18 6.20 0.08 3.68 0.01 -1.26 -3.90 113.70 116.33 2gtj s SER 45 Ca 0.38 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.39 2gtj s SER 45 Cb -0.13 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 2gtj s SER 45 CO 0.22 -0.34 0.19 0.72 0.41 0.00 0.00 173.24 174.45 2gtj s PHE 46 N 2.06 0.13 0.20 2.43 -0.12 -0.85 -5.02 117.98 116.81 2gtj s PHE 46 Ca 0.13 -0.52 0.07 0.00 -0.05 0.00 0.00 56.93 56.56 2gtj s PHE 46 Cb -0.16 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 2gtj s PHE 46 CO 0.12 -0.52 0.09 0.15 -0.05 0.00 0.00 175.22 175.00 2gtj s LYS 47 N -3.61 2.66 -0.01 1.99 1.02 -1.26 -0.89 119.74 119.64 2gtj s LYS 47 Ca 0.03 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 2gtj s LYS 47 Cb 0.04 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.79 2gtj s LYS 47 CO -0.10 0.44 2.00 0.94 -0.92 0.00 0.00 175.35 177.71 2gtj n GLN 48 N -0.54 2.70 -0.88 1.68 0.00 -1.24 -0.81 117.38 118.28 2gtj n GLN 48 Ca -0.08 0.97 0.00 0.00 -0.00 0.00 0.00 57.00 57.88 2gtj n GLN 48 Cb 0.56 -3.01 0.00 0.00 0.00 0.00 0.00 30.24 27.80 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 4.70 0.91 0.18 1.69 0.00 0.36 -4.96 105.19 108.07 2gtj n GLY 49 Ca 0.22 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 0.52 -3.10 1.61 4.57 -1.18 -3.48 114.58 113.53 2gtj h GLU 50 Ca 0.00 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2gtj h GLU 50 Cb 0.32 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2gtj h GLU 50 CO 0.00 1.12 -0.40 0.94 -1.18 0.00 0.00 179.01 179.49 2gtj n GLN 51 N -3.83 -1.99 -4.33 1.92 7.27 -1.26 -4.97 117.38 110.19 2gtj n GLN 51 Ca -0.06 1.75 -0.24 0.00 0.07 0.00 0.00 57.00 58.52 2gtj n GLN 51 Cb 0.78 -2.17 -0.08 0.00 2.41 0.00 0.00 30.24 31.18 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 -0.23 2.92 -0.03 1.69 1.01 0.13 -4.61 121.20 122.09 2gtj s ILE 52 Ca -0.01 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 58.70 2gtj s ILE 52 Cb 0.00 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2gtj s ILE 52 CO 0.03 -0.29 -0.19 -1.61 0.00 0.00 0.00 174.94 172.87 2gtj s GLU 53 N -3.68 2.29 -0.23 2.79 2.02 0.12 0.69 118.70 122.70 2gtj s GLU 53 Ca 0.33 -0.82 -0.09 0.00 0.02 0.00 0.00 54.97 54.40 2gtj s GLU 53 Cb -0.03 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 2gtj s GLU 53 CO 0.19 0.59 0.13 -1.50 0.02 0.00 0.00 175.26 174.69 2gtj s ILE 54 N -0.70 5.07 -0.12 -1.63 1.10 0.95 -0.61 121.20 125.25 2gtj s ILE 54 Ca 0.11 0.08 -0.04 0.00 -0.51 0.00 0.00 60.65 60.29 2gtj s ILE 54 Cb -0.10 -3.35 -0.06 0.00 0.15 0.00 0.00 42.46 39.09 2gtj s ILE 54 CO 0.00 0.36 -0.14 2.30 -2.11 0.00 0.00 174.94 175.36 2gtj n ILE 55 N 4.27 0.68 -4.53 2.00 -0.00 -0.83 -0.33 119.36 120.61 2gtj n ILE 55 Ca -0.15 -0.21 -0.21 0.00 -0.00 0.00 0.00 62.75 62.18 2gtj n ILE 55 Cb 0.52 -1.39 -0.15 0.00 -0.00 0.00 0.00 39.64 38.62 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 1.05 0.00 6.28 3.52 -1.20 -4.68 118.95 121.70 2gtj s ARG 56 Ca -0.17 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2gtj s ARG 56 Cb 0.06 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 2gtj s ARG 56 CO 0.24 0.22 0.00 0.44 -0.81 0.00 0.00 175.30 175.39 2gtj n ILE 57 N 2.94 0.00 -3.81 4.11 -0.00 -1.26 0.24 119.36 121.58 2gtj n ILE 57 Ca -0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.34 2gtj n ILE 57 Cb 0.55 -0.48 -0.03 0.00 -0.00 0.00 0.00 39.64 39.68 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 -1.77 5.25 -0.44 7.28 -4.23 -1.26 -4.69 115.64 115.78 2gtj s THR 58 Ca 0.00 -0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2gtj s THR 58 Cb 0.00 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2gtj s THR 58 CO 0.00 -0.20 0.43 -0.67 -0.54 0.00 0.00 174.62 173.65 2gtj n ASP 59 N -0.83 -5.71 -3.56 3.99 2.03 -1.26 -5.08 116.55 106.13 2gtj n ASP 59 Ca -0.06 0.02 -0.06 0.00 0.52 0.00 0.00 54.79 55.20 2gtj n ASP 59 Cb 0.55 -3.75 -0.07 0.00 -0.72 0.00 0.00 41.12 37.12 2gtj n ASP 59 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2gtj s ASN 60 N -2.54 -0.44 0.63 1.67 2.47 -1.26 -4.96 114.94 110.51 2gtj s ASN 60 Ca 0.03 0.96 0.36 0.00 0.42 0.00 0.00 52.86 54.62 2gtj s ASN 60 Cb -0.01 1.56 2.04 0.00 -1.45 0.00 0.00 41.25 43.40 2gtj s ASN 60 CO 0.48 -0.24 2.27 1.55 -3.72 0.00 0.00 177.10 177.44 2gtj h PRO 61 N 8.13 0.00 0.00 0.43 0.13 -1.94 -1.31 132.00 137.44 2gtj h PRO 61 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2gtj h PRO 61 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2gtj h PRO 61 CO 0.15 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 178.85 2gtj h GLU 62 N 0.00 0.00 -1.10 0.86 5.08 -2.00 -3.46 114.58 113.97 2gtj h GLU 62 Ca 0.01 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 2gtj h GLU 62 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2gtj h GLU 62 CO -0.00 0.00 -0.22 0.41 -1.00 0.00 0.00 179.01 178.20 2gtj n GLY 63 N 0.48 0.24 3.52 -3.84 0.00 -0.49 -5.01 105.19 100.08 2gtj n GLY 63 Ca 0.03 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.07 1.82 0.54 1.61 -2.85 -1.26 -4.54 119.74 110.99 2gtj s LYS 64 Ca 0.00 -1.76 0.09 0.00 -1.00 0.00 0.00 55.97 53.30 2gtj s LYS 64 Cb 0.00 -1.82 0.07 0.00 -2.06 0.00 0.00 37.83 34.02 2gtj s LYS 64 CO 0.00 0.28 0.74 -1.58 0.10 0.00 0.00 175.35 174.89 2gtj s TRP 65 N -2.51 1.75 -0.28 1.78 0.51 0.11 -4.80 118.94 115.51 2gtj s TRP 65 Ca 0.31 -0.64 0.00 0.00 -2.12 0.00 0.00 56.10 53.66 2gtj s TRP 65 Cb -0.03 -2.26 0.05 0.00 -0.81 0.00 0.00 33.47 30.42 2gtj s TRP 65 CO 0.16 -0.99 -0.06 -1.17 -0.51 0.00 0.00 176.95 174.39 2gtj s LEU 66 N -4.60 3.62 0.24 2.99 2.96 0.14 -0.63 118.68 123.40 2gtj s LEU 66 Ca 0.60 -1.29 0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2gtj s LEU 66 Cb -0.07 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2gtj s LEU 66 CO 0.38 -0.22 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.35 2gtj s GLY 67 N 1.19 1.67 0.03 7.98 0.00 -1.14 -1.96 107.32 115.08 2gtj s GLY 67 Ca -0.06 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.09 2gtj s GLY 67 CO -0.03 -1.62 -0.04 -1.60 0.00 0.00 0.00 173.10 169.81 2gtj s ARG 68 N -3.42 0.41 0.34 2.90 3.52 0.22 -1.28 118.95 121.64 2gtj s ARG 68 Ca 0.30 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 55.23 2gtj s ARG 68 Cb -0.07 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.33 2gtj s ARG 68 CO 0.19 -0.04 0.30 0.95 -0.81 0.00 0.00 175.30 175.89 2gtj s THR 69 N -1.85 3.43 -1.08 4.11 -4.23 -1.08 0.13 115.64 115.07 2gtj s THR 69 Ca -0.11 -1.37 -0.10 0.00 -1.18 0.00 0.00 61.69 58.92 2gtj s THR 69 Cb -0.07 -3.16 -0.07 0.00 1.34 0.00 0.00 72.50 70.54 2gtj s THR 69 CO -0.02 -0.15 2.26 0.00 -0.54 0.00 0.00 174.62 176.16 2gtj n ALA 70 N -1.39 5.09 0.00 3.99 0.00 -1.26 -0.95 120.51 125.99 2gtj n ALA 70 Ca -0.01 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2gtj n ALA 70 Cb 0.60 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.80 2gtj n ALA 70 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2gtj n ARG 71 N 4.80 0.00 -0.05 0.00 1.85 -1.26 -5.09 116.66 116.91 2gtj n ARG 71 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 2gtj n ARG 71 Cb 0.23 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 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 -0.18 -0.19 3.22 2.89 0.00 -0.12 -5.10 105.19 105.71 2gtj n GLY 72 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.01 -0.26 -0.85 1.61 0.01 -1.26 -4.89 113.70 108.06 2gtj s SER 73 Ca 0.00 0.89 -0.02 0.00 1.31 0.00 0.00 55.95 58.13 2gtj s SER 73 Cb 0.00 1.39 0.21 0.00 0.21 0.00 0.00 66.02 67.83 2gtj s SER 73 CO 0.00 -0.24 0.73 -0.31 0.41 0.00 0.00 173.24 173.83 2gtj s TYR 74 N 2.63 3.83 -0.55 2.43 1.51 -1.26 -2.62 117.35 123.32 2gtj s TYR 74 Ca 0.01 -2.98 -0.14 0.00 -1.01 0.00 0.00 57.07 52.95 2gtj s TYR 74 Cb -0.13 -3.24 0.14 0.00 -0.11 0.00 0.00 41.96 38.62 2gtj s TYR 74 CO -0.14 -0.75 0.49 0.20 -1.11 0.00 0.00 175.55 174.24 2gtj s GLY 75 N -0.01 2.13 -0.84 0.71 0.00 -0.41 -4.85 107.32 104.06 2gtj s GLY 75 Ca 0.26 -2.61 -0.31 0.00 0.00 0.00 0.00 44.72 42.06 2gtj s GLY 75 CO -0.11 1.19 2.58 1.58 0.00 0.00 0.00 173.10 178.34 2gtj n TYR 76 N 5.06 0.82 -2.93 1.90 0.18 -1.26 -2.90 117.16 118.02 2gtj n TYR 76 Ca -0.10 0.35 -0.35 0.00 1.88 0.00 0.00 57.90 59.68 2gtj n TYR 76 Cb 0.41 -2.43 -0.06 0.00 -0.38 0.00 0.00 39.34 36.87 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 2gtj s ILE 77 N 9.35 4.44 -0.26 -3.48 -4.36 0.20 -4.28 121.20 122.81 2gtj s ILE 77 Ca 1.26 1.43 -0.28 0.00 -0.26 0.00 0.00 60.65 62.80 2gtj s ILE 77 Cb -1.05 -3.77 0.01 0.00 1.25 0.00 0.00 42.46 38.90 2gtj s ILE 77 CO 0.46 -0.05 1.01 -1.59 0.24 0.00 0.00 174.94 175.01 2gtj s LYS 78 N -2.57 4.18 0.30 0.37 -2.85 -1.26 0.08 119.74 117.99 2gtj s LYS 78 Ca 0.53 1.19 0.17 0.00 -1.00 0.00 0.00 55.97 56.86 2gtj s LYS 78 Cb -0.14 -3.67 1.08 0.00 -2.06 0.00 0.00 37.83 33.05 2gtj s LYS 78 CO 0.19 -0.70 1.26 0.25 0.10 0.00 0.00 175.35 176.45 2gtj n THR 79 N 5.48 -0.33 0.59 3.79 -2.24 -1.26 -0.02 114.28 120.29 2gtj n THR 79 Ca 0.11 1.61 0.09 0.00 -2.27 0.00 0.00 64.05 63.59 2gtj n THR 79 Cb 0.47 -2.62 0.39 0.00 -2.10 0.00 0.00 70.33 66.46 2gtj n THR 79 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2gtj n THR 80 N -4.78 0.79 0.74 4.28 5.66 -1.26 -2.35 114.28 117.36 2gtj n THR 80 Ca 0.30 0.19 0.12 0.00 -3.05 0.00 0.00 64.05 61.61 2gtj n THR 80 Cb 1.04 -0.91 0.21 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.53 3.16 -2.43 1.79 0.00 0.98 -4.89 120.51 117.58 2gtj n ALA 81 Ca 0.04 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 2gtj n ALA 81 Cb 0.21 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.10 0.75 -0.05 0.00 -7.23 -0.99 -1.20 120.40 108.58 2gtj s VAL 82 Ca 0.08 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2gtj s VAL 82 Cb 0.15 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.55 2gtj s VAL 82 CO 0.71 0.00 0.03 -1.61 -0.31 0.00 0.00 175.10 173.92 2gtj s GLU 83 N -3.84 0.25 0.48 4.82 2.02 -0.48 -4.82 118.70 117.12 2gtj s GLU 83 Ca 0.32 0.21 -0.07 0.00 0.02 0.00 0.00 54.97 55.45 2gtj s GLU 83 Cb 0.06 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.59 2gtj s GLU 83 CO 0.15 -0.27 0.80 0.96 0.02 0.00 0.00 175.26 176.92 2gtj s ILE 84 N 1.80 4.87 -0.07 -1.63 -4.36 -1.26 0.22 121.20 120.76 2gtj s ILE 84 Ca 0.01 0.34 -0.21 0.00 -0.26 0.00 0.00 60.65 60.53 2gtj s ILE 84 Cb -0.12 -3.84 -0.04 0.00 1.25 0.00 0.00 42.46 39.71 2gtj s ILE 84 CO -0.03 -0.80 0.60 -1.81 0.24 0.00 0.00 174.94 173.13 2gtj s ASP 85 N -3.91 6.88 0.05 4.36 1.01 0.54 -4.87 116.67 120.74 2gtj s ASP 85 Ca 0.49 1.05 -0.02 0.00 0.71 0.00 0.00 52.55 54.78 2gtj s ASP 85 Cb -0.10 -2.36 -0.27 0.00 1.01 0.00 0.00 42.92 41.19 2gtj s ASP 85 CO 0.43 -0.03 1.05 1.88 0.21 0.00 0.00 175.17 178.71 2gtj h TYR 86 N 6.51 0.42 0.00 4.23 0.05 -1.96 -3.41 116.97 122.82 2gtj h TYR 86 Ca -0.42 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.05 2gtj h TYR 86 Cb 1.19 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2gtj h TYR 86 CO 0.64 1.28 0.00 -3.47 -1.05 0.00 0.00 178.16 175.56 2gtj n ASP 87 N -3.48 0.00 0.00 3.88 -0.08 -1.26 -5.06 116.55 110.55 2gtj n ASP 87 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2gtj n ASP 87 Cb 1.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.48 2gtj n ASP 87 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2gtj n SER 88 N 0.00 0.52 -0.01 1.67 2.88 -1.26 -4.85 113.62 112.56 2gtj n SER 88 Ca 0.00 -1.07 -0.02 0.00 -1.33 0.00 0.00 58.87 56.44 2gtj n SER 88 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2gtj n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2gtj n LEU 89 N -0.04 1.74 -3.86 2.46 4.77 -1.26 -4.90 117.00 115.92 2gtj n LEU 89 Ca 0.00 0.01 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 2gtj n LEU 89 Cb 0.18 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 2gtj n LEU 89 CO 0.00 0.32 -0.13 -0.54 -1.33 0.00 0.00 177.39 175.71 2gtj s LYS 90 N -2.05 2.02 -1.26 3.23 3.01 -1.26 -4.97 119.74 118.46 2gtj s LYS 90 Ca -0.04 -2.83 -0.12 0.00 -1.01 0.00 0.00 55.97 51.98 2gtj s LYS 90 Cb 0.01 -3.09 0.16 0.00 -1.01 0.00 0.00 37.83 33.90 2gtj s LYS 90 CO 0.05 -1.21 1.69 1.28 0.51 0.00 0.00 175.35 177.67 2gtj n LEU 91 N 2.64 5.95 -0.11 3.17 4.77 -1.26 -4.72 117.00 127.44 2gtj n LEU 91 Ca 0.14 -4.51 -0.04 0.00 -0.03 0.00 0.00 56.01 51.57 2gtj n LEU 91 Cb 0.35 -1.56 0.17 0.00 -2.33 0.00 0.00 43.42 40.05 2gtj n LEU 91 CO 0.28 1.02 0.89 0.50 -1.33 0.00 0.00 177.39 178.75 2gtj h LYS 92 N 6.45 0.78 -4.55 3.23 3.64 -2.01 -3.40 116.57 120.72 2gtj h LYS 92 Ca 0.37 -0.20 -0.57 0.00 -1.27 0.00 0.00 60.65 58.98 2gtj h LYS 92 Cb 0.75 -0.09 -0.36 0.00 -0.41 0.00 0.00 32.23 32.11 2gtj h LYS 92 CO 1.46 0.78 -0.82 0.21 -2.27 0.00 0.00 179.45 178.81 2gtj s LYS 93 N -5.00 2.03 0.00 1.90 2.20 -1.26 -5.07 119.74 114.53 2gtj s LYS 93 Ca -0.09 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2gtj s LYS 93 Cb 0.15 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 2gtj s LYS 93 CO 0.81 -0.20 0.30 -3.47 -0.36 0.00 0.00 175.35 172.43 2gtj n ASP 94 N 4.66 0.00 -0.74 1.43 2.03 -1.26 -4.82 116.55 117.84 2gtj n ASP 94 Ca -0.16 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2gtj n ASP 94 Cb 0.50 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2gtj n ASP 94 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2gtj n LEU 95 N -0.38 0.08 -0.41 -2.67 4.77 -1.26 -5.15 117.00 111.98 2gtj n LEU 95 Ca 0.00 -1.30 0.14 0.00 -0.03 0.00 0.00 56.01 54.82 2gtj n LEU 95 Cb 0.00 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.68 2gtj n LEU 95 CO 0.00 0.62 0.90 -1.84 -1.33 0.00 0.00 177.39 175.75