#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 3.37 -0.29 5.31 1.02 -1.26 -4.95 119.74 122.94 2gtj s LYS 2 Ca 0.00 -2.07 -0.01 0.00 0.02 0.00 0.00 55.97 53.91 2gtj s LYS 2 Cb 0.00 -4.42 0.09 0.00 -0.52 0.00 0.00 37.83 32.98 2gtj s LYS 2 CO 0.00 -1.37 0.08 0.15 -0.92 0.00 0.00 175.35 173.29 2gtj s LYS 3 N 1.06 0.71 -0.13 1.68 -0.14 -1.26 -4.96 119.74 116.71 2gtj s LYS 3 Ca 0.14 -0.93 0.10 0.00 -1.36 0.00 0.00 55.97 53.92 2gtj s LYS 3 Cb -0.17 -1.98 0.52 0.00 -1.68 0.00 0.00 37.83 34.53 2gtj s LYS 3 CO -0.04 -0.92 1.34 0.39 -0.76 0.00 0.00 175.35 175.36 2gtj n GLU 4 N 4.90 3.31 -2.60 1.68 -0.58 -1.26 -4.87 120.64 121.22 2gtj n GLU 4 Ca -0.04 -2.03 -0.42 0.00 -0.42 0.00 0.00 57.16 54.25 2gtj n GLU 4 Cb 0.43 -1.89 -0.03 0.00 -0.57 0.00 0.00 31.44 29.39 2gtj n GLU 4 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2gtj s GLN 5 N -2.00 3.39 0.00 3.49 2.00 -1.26 -4.93 119.66 120.35 2gtj s GLN 5 Ca 0.36 0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.75 2gtj s GLN 5 Cb 0.26 -4.07 0.00 0.00 0.80 0.00 0.00 33.01 29.99 2gtj s GLN 5 CO 0.13 -1.81 0.00 1.63 -0.50 0.00 0.00 175.29 174.74 2gtj n LYS 6 N 8.63 3.56 -3.03 1.67 5.02 -1.26 -5.00 118.16 127.76 2gtj n LYS 6 Ca 0.06 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.29 2gtj n LYS 6 Cb 0.49 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.52 2gtj n LYS 6 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gtj n GLU 7 N 0.00 -1.58 -3.67 1.97 1.02 -1.26 -5.00 120.64 112.12 2gtj n GLU 7 Ca 0.00 1.18 -0.36 0.00 -0.02 0.00 0.00 57.16 57.96 2gtj n GLU 7 Cb 0.00 -5.51 -0.07 0.00 -0.02 0.00 0.00 31.44 25.84 2gtj n GLU 7 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2gtj s LYS 8 N -3.52 4.09 -0.33 3.49 0.00 -1.26 -5.05 119.74 117.15 2gtj s LYS 8 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 55.97 56.06 2gtj s LYS 8 Cb -0.02 -3.38 0.06 0.00 0.00 0.00 0.00 37.83 34.49 2gtj s LYS 8 CO 0.70 0.37 0.07 -1.21 0.00 0.00 0.00 175.35 175.27 2gtj s GLU 9 N 0.12 2.34 -0.52 1.78 2.02 -1.26 -5.03 118.70 118.15 2gtj s GLU 9 Ca 0.13 -1.39 -0.23 0.00 0.02 0.00 0.00 54.97 53.50 2gtj s GLU 9 Cb -0.12 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 30.83 2gtj s GLU 9 CO 0.02 -0.74 0.82 0.21 0.02 0.00 0.00 175.26 175.59 2gtj s LYS 10 N 1.25 3.29 -0.00 1.61 2.47 -1.26 -5.00 119.74 122.09 2gtj s LYS 10 Ca -0.01 -0.40 -0.04 0.00 -1.56 0.00 0.00 55.97 53.96 2gtj s LYS 10 Cb -0.20 -4.04 -0.00 0.00 -1.46 0.00 0.00 37.83 32.12 2gtj s LYS 10 CO -0.01 -1.34 0.07 0.21 0.16 0.00 0.00 175.35 174.44 2gtj s LYS 11 N 3.46 0.30 0.64 4.03 2.20 -1.26 -5.16 119.74 123.94 2gtj s LYS 11 Ca 0.26 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 2gtj s LYS 11 Cb -0.14 0.12 0.12 0.00 -1.51 0.00 0.00 37.83 36.42 2gtj s LYS 11 CO 0.18 -0.06 0.87 -0.85 -0.36 0.00 0.00 175.35 175.13 2gtj n GLU 12 N 2.04 0.07 0.00 4.03 -0.00 -1.26 -5.00 120.64 120.53 2gtj n GLU 12 Ca -0.20 -2.52 0.08 0.00 -0.00 0.00 0.00 57.16 54.53 2gtj n GLU 12 Cb 0.57 -0.54 0.46 0.00 -0.00 0.00 0.00 31.44 31.93 2gtj n GLU 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2gtj n GLN 13 N -2.58 0.38 -0.85 3.44 1.13 -1.26 -4.78 117.38 112.86 2gtj n GLN 13 Ca 0.15 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 2gtj n GLN 13 Cb 0.54 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.39 2gtj n GLN 13 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2gtj n GLU 14 N -1.15 0.00 0.07 -1.09 -0.58 -1.26 -4.92 120.64 111.70 2gtj n GLU 14 Ca 0.10 0.31 0.01 0.00 -0.42 0.00 0.00 57.16 57.16 2gtj n GLU 14 Cb 0.10 -2.88 -0.05 0.00 -0.57 0.00 0.00 31.44 28.04 2gtj n GLU 14 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2gtj h ILE 15 N 0.00 0.57 -0.62 -3.67 -0.00 -1.90 -3.23 117.51 108.66 2gtj h ILE 15 Ca 0.00 -1.99 -0.05 0.00 -0.00 0.00 0.00 64.86 62.81 2gtj h ILE 15 Cb 0.12 2.11 -0.03 0.00 -0.00 0.00 0.00 36.82 39.02 2gtj h ILE 15 CO 0.00 0.33 0.17 0.50 -0.00 0.00 0.00 178.15 179.15 2gtj h LYS 16 N 0.00 0.97 -0.66 0.16 1.63 -1.95 -1.75 116.57 114.97 2gtj h LYS 16 Ca -0.11 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2gtj h LYS 16 Cb 1.49 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2gtj h LYS 16 CO 0.05 0.87 0.00 1.63 -3.45 0.00 0.00 179.45 178.55 2gtj n LYS 17 N -4.36 3.05 -0.07 1.90 4.01 -1.25 -2.13 118.16 119.32 2gtj n LYS 17 Ca 0.04 -2.53 -0.11 0.00 -0.51 0.00 0.00 58.31 55.19 2gtj n LYS 17 Cb 0.23 -1.69 -0.04 0.00 -0.51 0.00 0.00 35.03 33.02 2gtj n LYS 17 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2gtj n LYS 18 N 1.25 0.39 0.14 1.97 3.00 -0.71 -4.51 118.16 119.69 2gtj n LYS 18 Ca 0.23 0.16 0.02 0.00 -0.00 0.00 0.00 58.31 58.73 2gtj n LYS 18 Cb 0.70 -1.18 0.02 0.00 0.00 0.00 0.00 35.03 34.57 2gtj n LYS 18 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2gtj h PHE 19 N -0.72 0.00 -4.06 5.64 3.04 -1.62 -3.46 116.94 115.75 2gtj h PHE 19 Ca -0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.80 2gtj h PHE 19 Cb 0.93 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.44 2gtj h PHE 19 CO -0.24 0.51 -0.48 1.63 -2.02 0.00 0.00 178.31 177.71 2gtj n LYS 20 N -3.22 -1.72 0.00 1.11 5.02 -0.91 -4.55 118.16 113.89 2gtj n LYS 20 Ca 0.02 1.63 0.11 0.00 -2.02 0.00 0.00 58.31 58.05 2gtj n LYS 20 Cb 0.74 -3.21 -0.14 0.00 -0.02 0.00 0.00 35.03 32.40 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 0.31 0.22 0.00 -0.35 7.99 -0.93 -5.00 117.00 119.24 2gtj n LEU 21 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2gtj n LEU 21 Cb 0.01 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2gtj n LEU 21 CO 0.22 0.01 0.00 0.35 -1.51 0.00 0.00 177.39 176.47 2gtj n THR 22 N -2.20 0.00 0.00 -5.08 -2.24 -1.26 -4.68 114.28 98.81 2gtj n THR 22 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2gtj n THR 22 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.00 1.65 3.78 3.38 0.00 -1.26 -5.10 105.19 107.63 2gtj n GLY 23 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 4.08 2.02 -0.05 1.61 0.04 -1.26 -5.07 135.00 136.36 2gtj s PRO 24 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2gtj s PRO 24 Cb 0.00 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2gtj s PRO 24 CO 0.00 -1.72 -0.03 -1.50 0.04 0.00 0.00 177.00 173.80 2gtj s ILE 25 N -3.03 0.47 0.33 0.56 1.10 -1.26 -5.05 121.20 114.31 2gtj s ILE 25 Ca 0.61 -0.03 0.07 0.00 -0.51 0.00 0.00 60.65 60.79 2gtj s ILE 25 Cb -0.16 -0.54 -0.06 0.00 0.15 0.00 0.00 42.46 41.84 2gtj s ILE 25 CO 0.55 0.24 -0.04 0.00 -2.11 0.00 0.00 174.94 173.58 2gtj s GLN 26 N 1.31 1.72 0.07 3.50 -2.07 -1.26 -5.12 119.66 117.81 2gtj s GLN 26 Ca -0.05 -1.91 -0.23 0.00 -1.82 0.00 0.00 55.36 51.35 2gtj s GLN 26 Cb -0.13 -1.36 -0.06 0.00 -1.09 0.00 0.00 33.01 30.36 2gtj s GLN 26 CO -0.02 0.02 0.70 0.08 -1.32 0.00 0.00 175.29 174.75 2gtj s VAL 27 N -2.88 4.68 -0.20 3.63 1.01 -1.26 -4.26 120.40 121.11 2gtj s VAL 27 Ca 0.32 1.51 0.11 0.00 0.00 0.00 0.00 61.98 63.92 2gtj s VAL 27 Cb 0.05 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 32.18 2gtj s VAL 27 CO 0.15 0.44 -0.04 -0.38 0.00 0.00 0.00 175.10 175.28 2gtj n ILE 28 N 2.33 1.29 -3.78 2.22 -0.00 0.11 -4.97 119.36 116.57 2gtj n ILE 28 Ca -0.05 -0.68 -0.07 0.00 -0.00 0.00 0.00 62.75 61.95 2gtj n ILE 28 Cb 0.50 -0.81 -0.02 0.00 -0.00 0.00 0.00 39.64 39.31 2gtj n ILE 28 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2gtj s HIS 29 N -2.45 -0.22 -0.28 1.39 3.76 -1.16 -5.00 115.29 111.33 2gtj s HIS 29 Ca -0.17 -0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 54.50 2gtj s HIS 29 Cb 0.06 0.67 0.01 0.00 1.11 0.00 0.00 32.58 34.43 2gtj s HIS 29 CO 0.68 -1.08 0.06 -0.51 -0.85 0.00 0.00 174.74 173.04 2gtj s LEU 30 N -2.89 3.71 0.19 0.89 1.02 -1.26 -0.53 118.68 119.81 2gtj s LEU 30 Ca 0.10 -0.65 0.01 0.00 0.02 0.00 0.00 54.13 53.61 2gtj s LEU 30 Cb -0.04 -1.86 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2gtj s LEU 30 CO 0.03 -0.16 0.35 0.00 0.02 0.00 0.00 176.35 176.59 2gtj s ALA 31 N 1.50 3.88 -0.17 4.21 0.00 0.25 -1.14 121.76 130.29 2gtj s ALA 31 Ca 0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2gtj s ALA 31 Cb -0.17 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 2gtj s ALA 31 CO 0.02 0.45 -0.01 0.21 0.00 0.00 0.00 175.76 176.43 2gtj s LYS 32 N -3.35 3.72 -0.13 0.00 2.20 0.85 0.45 119.74 123.49 2gtj s LYS 32 Ca 0.37 -0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 55.20 2gtj s LYS 32 Cb -0.11 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 2gtj s LYS 32 CO 0.29 0.20 1.84 0.00 -0.36 0.00 0.00 175.35 177.32 2gtj s ALA 33 N 0.50 3.29 -0.50 3.13 0.00 -1.26 -0.87 121.76 126.05 2gtj s ALA 33 Ca -0.02 0.83 0.24 0.00 0.00 0.00 0.00 51.96 53.01 2gtj s ALA 33 Cb -0.14 -3.88 0.31 0.00 0.00 0.00 0.00 23.12 19.42 2gtj s ALA 33 CO 0.02 -1.94 1.37 0.00 0.00 0.00 0.00 175.76 175.21 2gtj s ASP 36 N -2.30 6.20 0.16 0.00 -4.77 -1.26 -3.18 116.67 111.51 2gtj s ASP 36 Ca -0.02 -1.25 0.08 0.00 -3.30 0.00 0.00 52.55 48.06 2gtj s ASP 36 Cb 0.01 -2.30 -0.04 0.00 -1.09 0.00 0.00 42.92 39.50 2gtj s ASP 36 CO -0.06 -1.05 -0.05 0.54 0.70 0.00 0.00 175.17 175.25 2gtj s VAL 37 N 2.70 3.48 -0.32 2.11 0.11 -0.77 -4.93 120.40 122.77 2gtj s VAL 37 Ca 0.13 -1.45 0.10 0.00 -2.93 0.00 0.00 61.98 57.82 2gtj s VAL 37 Cb -0.22 -2.71 0.46 0.00 -1.53 0.00 0.00 36.38 32.38 2gtj s VAL 37 CO 0.08 -0.05 1.14 2.29 -3.33 0.00 0.00 175.10 175.23 2gtj n LYS 38 N 0.14 3.13 -2.04 1.54 0.00 -1.26 -0.89 118.16 118.78 2gtj n LYS 38 Ca -0.11 -4.09 -0.04 0.00 -0.00 0.00 0.00 58.31 54.07 2gtj n LYS 38 Cb 0.54 -2.10 0.02 0.00 -0.00 0.00 0.00 35.03 33.49 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 -0.60 0.32 3.69 2.58 0.00 -0.85 -4.74 105.19 105.59 2gtj n GLY 39 Ca 0.35 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.14 2.32 -1.24 -0.02 0.00 -1.26 -3.62 107.32 100.36 2gtj s GLY 40 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.78 2gtj s GLY 40 CO 0.21 1.31 0.44 0.28 0.00 0.00 0.00 173.10 175.35 2gtj n LYS 41 N 4.48 -3.67 -2.03 2.90 4.01 -1.26 -4.02 118.16 118.57 2gtj n LYS 41 Ca -0.00 0.72 -0.01 0.00 -0.51 0.00 0.00 58.31 58.51 2gtj n LYS 41 Cb 0.50 -5.18 0.00 0.00 -0.51 0.00 0.00 35.03 29.85 2gtj n LYS 41 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2gtj n ASN 42 N -1.56 -4.56 -1.49 4.39 5.15 -1.24 -5.12 115.26 110.83 2gtj n ASN 42 Ca -0.10 0.51 -0.03 0.00 -0.60 0.00 0.00 54.58 54.36 2gtj n ASN 42 Cb 0.60 -2.86 -0.00 0.00 -0.53 0.00 0.00 39.78 36.99 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 0.11 0.21 -3.61 1.20 2.13 -1.25 -4.78 120.64 114.65 2gtj n GLU 43 Ca 0.01 -0.67 -0.30 0.00 0.66 0.00 0.00 57.16 56.86 2gtj n GLU 43 Cb 0.05 0.69 -0.04 0.00 0.27 0.00 0.00 31.44 32.41 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 4.22 -0.28 4.31 0.20 -1.16 -4.22 118.68 121.75 2gtj s LEU 44 Ca 0.06 0.60 -0.10 0.00 0.69 0.00 0.00 54.13 55.38 2gtj s LEU 44 Cb -0.01 -3.34 -0.03 0.00 -0.43 0.00 0.00 46.19 42.38 2gtj s LEU 44 CO 0.05 -0.01 0.15 -0.44 -0.29 0.00 0.00 176.35 175.81 2gtj s SER 45 N -2.67 5.66 0.35 3.68 0.01 -1.26 -2.01 113.70 117.46 2gtj s SER 45 Ca 0.41 -0.22 -0.11 0.00 1.31 0.00 0.00 55.95 57.34 2gtj s SER 45 Cb -0.12 -2.04 0.03 0.00 0.21 0.00 0.00 66.02 64.10 2gtj s SER 45 CO 0.26 -0.10 0.64 0.72 0.41 0.00 0.00 173.24 175.17 2gtj s PHE 46 N 1.68 0.46 0.06 2.43 -0.12 -0.07 -4.98 117.98 117.45 2gtj s PHE 46 Ca 0.06 -0.93 0.03 0.00 -0.05 0.00 0.00 56.93 56.04 2gtj s PHE 46 Cb -0.16 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.64 2gtj s PHE 46 CO 0.08 -1.34 -0.10 0.15 -0.05 0.00 0.00 175.22 173.96 2gtj s LYS 47 N -2.86 0.69 -0.30 1.99 1.02 -1.26 -1.85 119.74 117.18 2gtj s LYS 47 Ca 0.21 -0.91 -0.40 0.00 0.02 0.00 0.00 55.97 54.89 2gtj s LYS 47 Cb -0.03 -0.51 -0.16 0.00 -0.52 0.00 0.00 37.83 36.61 2gtj s LYS 47 CO 0.14 0.10 1.78 0.94 -0.92 0.00 0.00 175.35 177.39 2gtj n GLN 48 N 1.21 1.09 -0.43 1.68 0.00 -1.19 -0.71 117.38 119.03 2gtj n GLN 48 Ca -0.21 0.40 0.00 0.00 -0.00 0.00 0.00 57.00 57.19 2gtj n GLN 48 Cb 0.55 -2.09 0.00 0.00 0.00 0.00 0.00 30.24 28.70 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 4.40 0.77 0.12 1.69 0.00 -0.24 -4.96 105.19 106.98 2gtj n GLY 49 Ca 0.28 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 1.98 0.00 -3.69 1.61 4.39 -1.17 -3.47 114.58 114.23 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 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2gtj h GLU 50 CO 0.00 0.00 -0.68 0.94 -1.16 0.00 0.00 179.01 178.11 2gtj n GLN 51 N -2.39 -3.77 -4.43 2.33 7.27 -1.26 -4.89 117.38 110.24 2gtj n GLN 51 Ca 0.05 2.86 -0.25 0.00 0.07 0.00 0.00 57.00 59.73 2gtj n GLN 51 Cb 0.43 -3.29 -0.11 0.00 2.41 0.00 0.00 30.24 29.68 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 -0.40 2.32 -0.05 1.69 1.01 0.17 -4.59 121.20 121.36 2gtj s ILE 52 Ca 0.00 -2.14 0.05 0.00 0.00 0.00 0.00 60.65 58.56 2gtj s ILE 52 Cb 0.00 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 2gtj s ILE 52 CO 0.00 -0.24 -0.20 -1.61 0.00 0.00 0.00 174.94 172.89 2gtj s GLU 53 N -2.97 2.44 -0.31 2.79 2.02 0.08 0.87 118.70 123.63 2gtj s GLU 53 Ca 0.23 -0.82 -0.16 0.00 0.02 0.00 0.00 54.97 54.24 2gtj s GLU 53 Cb -0.07 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 2gtj s GLU 53 CO 0.11 0.52 0.42 -1.50 0.02 0.00 0.00 175.26 174.83 2gtj s ILE 54 N -0.49 5.12 -0.11 -1.63 1.10 0.31 -0.50 121.20 125.00 2gtj s ILE 54 Ca 0.06 0.41 0.14 0.00 -0.51 0.00 0.00 60.65 60.75 2gtj s ILE 54 Cb -0.11 -3.82 -0.20 0.00 0.15 0.00 0.00 42.46 38.48 2gtj s ILE 54 CO 0.01 -0.02 0.12 2.30 -2.11 0.00 0.00 174.94 175.25 2gtj n ILE 55 N 5.24 0.76 -3.72 2.00 -0.00 -0.47 0.08 119.36 123.24 2gtj n ILE 55 Ca -0.07 -0.56 -0.16 0.00 -0.00 0.00 0.00 62.75 61.96 2gtj n ILE 55 Cb 0.50 -0.42 -0.16 0.00 -0.00 0.00 0.00 39.64 39.56 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 -2.54 0.01 -0.02 6.28 6.06 -1.08 -4.45 118.95 123.22 2gtj s ARG 56 Ca -0.07 0.37 0.00 0.00 -2.50 0.00 0.00 55.73 53.53 2gtj s ARG 56 Cb 0.06 -0.28 -0.01 0.00 0.06 0.00 0.00 34.95 34.77 2gtj s ARG 56 CO 0.61 -0.23 -0.01 0.44 -2.50 0.00 0.00 175.30 173.61 2gtj n ILE 57 N 4.67 0.09 -4.11 4.11 -0.00 -1.26 -0.20 119.36 122.66 2gtj n ILE 57 Ca -0.17 -0.04 -0.26 0.00 -0.00 0.00 0.00 62.75 62.28 2gtj n ILE 57 Cb 0.50 -0.60 -0.06 0.00 -0.00 0.00 0.00 39.64 39.49 2gtj n ILE 57 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2gtj s THR 58 N -2.03 4.34 0.00 7.28 -1.32 -1.26 -4.29 115.64 118.35 2gtj s THR 58 Ca -0.02 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 2gtj s THR 58 Cb 0.01 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 2gtj s THR 58 CO 0.04 -0.11 0.00 -0.67 -2.21 0.00 0.00 174.62 171.67 2gtj n ASP 59 N -0.31 -2.58 -4.67 8.08 2.03 -1.26 -5.00 116.55 112.84 2gtj n ASP 59 Ca -0.09 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.74 2gtj n ASP 59 Cb 0.55 -0.43 -0.05 0.00 -0.72 0.00 0.00 41.12 40.47 2gtj n ASP 59 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2gtj n ASN 60 N 0.16 3.20 -0.15 1.67 6.94 -1.26 -4.90 115.26 120.92 2gtj n ASN 60 Ca 0.00 1.02 -0.12 0.00 -0.02 0.00 0.00 54.58 55.46 2gtj n ASN 60 Cb 0.00 -1.37 -0.01 0.00 -2.36 0.00 0.00 39.78 36.04 2gtj n ASN 60 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 2gtj h PRO 61 N 7.79 0.93 0.00 -0.53 0.11 -1.87 -3.38 132.00 135.05 2gtj h PRO 61 Ca -0.47 -0.41 -0.46 0.00 0.11 0.00 0.00 66.00 64.77 2gtj h PRO 61 Cb 1.27 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 2gtj h PRO 61 CO 0.92 1.07 -2.53 -1.91 -0.21 0.00 0.00 178.00 175.35 2gtj n GLU 62 N -4.16 0.59 0.00 1.05 4.07 -1.26 -5.01 120.64 115.92 2gtj n GLU 62 Ca -0.01 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2gtj n GLU 62 Cb 0.45 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 2gtj n GLU 62 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gtj n GLY 63 N 1.27 -0.45 3.97 8.31 0.00 -1.26 -5.14 105.19 111.88 2gtj n GLY 63 Ca -0.54 0.00 -0.20 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 0.00 3.17 0.54 1.61 -2.85 -1.26 -4.77 119.74 116.17 2gtj s LYS 64 Ca 0.00 -0.97 0.07 0.00 -1.00 0.00 0.00 55.97 54.07 2gtj s LYS 64 Cb 0.00 -2.80 0.06 0.00 -2.06 0.00 0.00 37.83 33.02 2gtj s LYS 64 CO 0.00 0.17 0.74 -1.58 0.10 0.00 0.00 175.35 174.78 2gtj s TRP 65 N -2.13 2.11 -0.31 1.78 0.51 0.45 -4.78 118.94 116.56 2gtj s TRP 65 Ca 0.41 -0.46 -0.01 0.00 -2.12 0.00 0.00 56.10 53.92 2gtj s TRP 65 Cb -0.09 -2.45 0.06 0.00 -0.81 0.00 0.00 33.47 30.18 2gtj s TRP 65 CO 0.30 -0.94 0.02 -1.17 -0.51 0.00 0.00 176.95 174.65 2gtj s LEU 66 N -4.63 4.07 0.24 2.99 2.96 0.72 -0.36 118.68 124.67 2gtj s LEU 66 Ca 0.59 -1.41 0.09 0.00 -0.22 0.00 0.00 54.13 53.19 2gtj s LEU 66 Cb -0.08 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2gtj s LEU 66 CO 0.38 -0.30 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.23 2gtj s GLY 67 N 1.30 1.70 0.03 7.98 0.00 -1.26 -1.37 107.32 115.70 2gtj s GLY 67 Ca -0.03 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.10 2gtj s GLY 67 CO -0.02 -1.66 -0.07 -1.60 0.00 0.00 0.00 173.10 169.75 2gtj s ARG 68 N -3.35 0.49 0.34 2.90 3.52 0.35 -2.79 118.95 120.40 2gtj s ARG 68 Ca 0.29 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.37 2gtj s ARG 68 Cb -0.07 -0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 32.99 2gtj s ARG 68 CO 0.18 0.07 0.45 0.95 -0.81 0.00 0.00 175.30 176.13 2gtj s THR 69 N -1.02 3.98 0.46 4.11 -4.23 -1.08 -0.74 115.64 117.13 2gtj s THR 69 Ca -0.07 -1.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.63 2gtj s THR 69 Cb -0.08 -3.37 0.42 0.00 1.34 0.00 0.00 72.50 70.81 2gtj s THR 69 CO 0.00 -0.16 1.85 0.00 -0.54 0.00 0.00 174.62 175.77 2gtj h ALA 70 N 0.93 2.45 0.00 3.99 0.00 -1.90 0.25 119.26 124.98 2gtj h ALA 70 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 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 0.53 -0.75 0.00 0.07 0.00 0.00 0.00 179.25 179.10 2gtj h ARG 71 N 0.26 0.00 -1.25 0.00 0.11 -1.99 -3.48 114.38 108.04 2gtj h ARG 71 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 2gtj h ARG 71 Cb 1.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.53 2gtj h ARG 71 CO -0.14 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.34 2gtj n GLY 72 N 0.92 -1.26 3.29 0.08 0.00 0.88 -5.11 105.19 103.99 2gtj n GLY 72 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -0.51 -0.59 1.61 0.01 -1.26 -4.93 113.70 108.03 2gtj s SER 73 Ca 0.00 0.93 0.05 0.00 1.31 0.00 0.00 55.95 58.24 2gtj s SER 73 Cb 0.00 0.85 0.33 0.00 0.21 0.00 0.00 66.02 67.41 2gtj s SER 73 CO 0.00 -0.20 0.94 -1.22 0.41 0.00 0.00 173.24 173.17 2gtj n TYR 74 N 4.37 4.00 -2.83 2.43 4.02 -1.25 -2.63 117.16 125.26 2gtj n TYR 74 Ca -0.22 -4.00 -0.43 0.00 -0.01 0.00 0.00 57.90 53.24 2gtj n TYR 74 Cb 0.55 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.33 2gtj n TYR 74 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2gtj s GLY 75 N -3.32 1.61 -0.68 2.72 0.00 -1.12 -4.78 107.32 101.75 2gtj s GLY 75 Ca 0.48 -2.35 -0.23 0.00 0.00 0.00 0.00 44.72 42.61 2gtj s GLY 75 CO -0.12 2.17 1.89 -1.72 0.00 0.00 0.00 173.10 175.31 2gtj n TYR 76 N 7.40 0.44 -2.64 1.90 4.02 -1.26 -3.01 117.16 124.01 2gtj n TYR 76 Ca 0.16 0.30 -0.41 0.00 -0.01 0.00 0.00 57.90 57.95 2gtj n TYR 76 Cb 0.48 -1.69 -0.05 0.00 -0.02 0.00 0.00 39.34 38.06 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 6.20 4.09 -0.30 -0.72 -4.36 0.51 -4.45 121.20 122.18 2gtj s ILE 77 Ca 0.96 1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 62.94 2gtj s ILE 77 Cb -0.92 -4.20 -0.01 0.00 1.25 0.00 0.00 42.46 38.59 2gtj s ILE 77 CO 0.36 0.36 1.43 -1.59 0.24 0.00 0.00 174.94 175.74 2gtj s LYS 78 N -0.58 3.81 0.36 0.37 -2.85 -1.26 -0.41 119.74 119.17 2gtj s LYS 78 Ca 0.46 1.32 0.27 0.00 -1.00 0.00 0.00 55.97 57.02 2gtj s LYS 78 Cb -0.27 -3.96 1.22 0.00 -2.06 0.00 0.00 37.83 32.76 2gtj s LYS 78 CO 0.33 -1.26 1.27 0.25 0.10 0.00 0.00 175.35 176.04 2gtj n THR 79 N 6.44 -0.20 0.38 3.79 -2.24 -1.26 0.28 114.28 121.47 2gtj n THR 79 Ca 0.16 1.46 0.11 0.00 -2.27 0.00 0.00 64.05 63.52 2gtj n THR 79 Cb 0.46 -2.39 0.48 0.00 -2.10 0.00 0.00 70.33 66.78 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 -4.30 0.87 1.12 4.28 5.66 -1.26 -2.41 114.28 118.25 2gtj n THR 80 Ca 0.33 0.28 0.12 0.00 -3.05 0.00 0.00 64.05 61.73 2gtj n THR 80 Cb 1.29 -1.20 0.28 0.00 -1.55 0.00 0.00 70.33 69.15 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 -1.75 3.38 -2.36 1.79 0.00 0.14 -4.85 120.51 116.87 2gtj n ALA 81 Ca 0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2gtj n ALA 81 Cb 0.21 -1.09 -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 -2.71 0.87 -0.25 0.00 -7.23 -1.01 0.04 120.40 110.10 2gtj s VAL 82 Ca 0.18 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2gtj s VAL 82 Cb 0.18 -1.51 0.06 0.00 0.56 0.00 0.00 36.38 35.67 2gtj s VAL 82 CO 0.61 -0.69 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.98 2gtj s GLU 83 N -3.25 2.26 0.68 4.82 2.02 -0.05 -4.80 118.70 120.38 2gtj s GLU 83 Ca 0.09 -1.30 -0.11 0.00 0.02 0.00 0.00 54.97 53.67 2gtj s GLU 83 Cb 0.01 -2.85 -0.00 0.00 0.10 0.00 0.00 34.13 31.38 2gtj s GLU 83 CO -0.02 -0.55 1.08 0.96 0.02 0.00 0.00 175.26 176.75 2gtj s ILE 84 N 1.13 3.87 -0.46 -1.63 -4.36 -1.26 -0.10 121.20 118.39 2gtj s ILE 84 Ca -0.08 0.61 -0.24 0.00 -0.26 0.00 0.00 60.65 60.68 2gtj s ILE 84 Cb -0.19 -3.59 0.03 0.00 1.25 0.00 0.00 42.46 39.95 2gtj s ILE 84 CO -0.06 -0.79 0.86 -0.62 0.24 0.00 0.00 174.94 174.57 2gtj s ASP 85 N -4.29 6.45 -0.13 4.36 -1.08 -0.29 -4.86 116.67 116.83 2gtj s ASP 85 Ca 0.57 -0.01 -0.21 0.00 -0.52 0.00 0.00 52.55 52.38 2gtj s ASP 85 Cb -0.11 -2.42 -0.19 0.00 -1.46 0.00 0.00 42.92 38.74 2gtj s ASP 85 CO 0.53 -1.00 0.53 1.88 0.52 0.00 0.00 175.17 177.63 2gtj h TYR 86 N 9.04 0.00 0.00 -5.34 0.05 -1.94 -3.42 116.97 115.37 2gtj h TYR 86 Ca -0.24 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.36 2gtj h TYR 86 Cb 1.08 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.69 2gtj h TYR 86 CO 0.84 0.77 -0.23 -3.47 -1.05 0.00 0.00 178.16 175.02 2gtj n ASP 87 N -4.64 -1.92 -0.06 3.88 -0.08 -1.26 -5.01 116.55 107.45 2gtj n ASP 87 Ca -0.09 -2.88 -0.06 0.00 -1.51 0.00 0.00 54.79 50.25 2gtj n ASP 87 Cb 0.37 1.57 -0.02 0.00 2.34 0.00 0.00 41.12 45.38 2gtj n ASP 87 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2gtj n SER 88 N 0.58 1.48 -1.28 1.67 7.64 -1.26 -4.78 113.62 117.68 2gtj n SER 88 Ca 0.02 0.39 0.04 0.00 1.01 0.00 0.00 58.87 60.33 2gtj n SER 88 Cb 0.72 -0.74 0.04 0.00 -1.01 0.00 0.00 64.21 63.22 2gtj n SER 88 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2gtj n LEU 89 N -4.08 1.13 -0.03 -3.43 4.77 -1.26 -4.84 117.00 109.27 2gtj n LEU 89 Ca -0.09 -2.15 -0.13 0.00 -0.03 0.00 0.00 56.01 53.61 2gtj n LEU 89 Cb 0.32 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2gtj n LEU 89 CO 0.13 0.59 0.40 0.50 -1.33 0.00 0.00 177.39 177.68 2gtj h LYS 90 N 0.89 0.72 -6.38 3.23 3.11 -1.95 -3.39 116.57 112.80 2gtj h LYS 90 Ca -0.18 -0.49 -0.57 0.00 -2.81 0.00 0.00 60.65 56.60 2gtj h LYS 90 Cb 1.73 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 33.00 2gtj h LYS 90 CO 0.08 1.12 1.19 -0.48 -2.81 0.00 0.00 179.45 178.54 2gtj s LEU 91 N -8.45 3.53 0.08 5.20 0.05 -1.26 -4.96 118.68 112.87 2gtj s LEU 91 Ca -0.09 1.04 0.10 0.00 0.05 0.00 0.00 54.13 55.23 2gtj s LEU 91 Cb 0.10 -3.48 -0.03 0.00 -2.05 0.00 0.00 46.19 40.72 2gtj s LEU 91 CO 0.87 -1.61 -0.27 -0.54 -0.55 0.00 0.00 176.35 174.26 2gtj s LYS 92 N 5.39 1.64 -0.45 1.48 1.02 -1.26 -4.86 119.74 122.70 2gtj s LYS 92 Ca 0.71 -1.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.35 2gtj s LYS 92 Cb -0.18 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.20 2gtj s LYS 92 CO 0.33 0.49 0.59 1.17 -0.92 0.00 0.00 175.35 177.01 2gtj n LYS 93 N 1.41 -2.23 -3.66 1.68 4.81 -1.26 -4.98 118.16 113.94 2gtj n LYS 93 Ca -0.17 2.03 -0.39 0.00 -0.87 0.00 0.00 58.31 58.90 2gtj n LYS 93 Cb 0.52 -5.58 -0.12 0.00 0.02 0.00 0.00 35.03 29.88 2gtj n LYS 93 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2gtj s ASP 94 N -2.60 5.56 -0.46 3.14 2.15 -1.26 -5.03 116.67 118.16 2gtj s ASP 94 Ca 0.22 -1.08 -0.28 0.00 0.43 0.00 0.00 52.55 51.84 2gtj s ASP 94 Cb -0.06 -1.96 -0.01 0.00 -0.30 0.00 0.00 42.92 40.59 2gtj s ASP 94 CO 0.75 -0.37 1.66 -0.76 -0.17 0.00 0.00 175.17 176.28 2gtj s LEU 95 N 1.48 3.45 0.00 -1.34 1.43 -1.26 -5.29 118.68 117.15 2gtj s LEU 95 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2gtj s LEU 95 Cb -0.19 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2gtj s LEU 95 CO 0.05 -1.82 0.45 -0.62 0.23 0.00 0.00 176.35 174.63