#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtj n LYS 2 N 0.00 0.68 -2.17 3.49 4.81 -1.26 -5.04 118.16 118.66 2gtj n LYS 2 Ca 0.00 0.26 -0.01 0.00 -0.87 0.00 0.00 58.31 57.68 2gtj n LYS 2 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.32 2gtj n LYS 2 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2gtj n LYS 3 N -3.16 -1.71 -2.77 1.64 4.81 -1.26 -4.95 118.16 110.76 2gtj n LYS 3 Ca -0.24 1.63 -0.43 0.00 -0.87 0.00 0.00 58.31 58.40 2gtj n LYS 3 Cb 1.06 -3.48 -0.04 0.00 0.02 0.00 0.00 35.03 32.59 2gtj n LYS 3 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2gtj s GLU 4 N -1.17 3.54 -0.13 1.64 8.01 -1.26 -5.00 118.70 124.32 2gtj s GLU 4 Ca 0.04 0.18 0.01 0.00 0.01 0.00 0.00 54.97 55.21 2gtj s GLU 4 Cb -0.01 -3.94 -0.01 0.00 -4.31 0.00 0.00 34.13 25.86 2gtj s GLU 4 CO 0.42 -1.30 -0.15 -0.65 0.01 0.00 0.00 175.26 173.58 2gtj s GLN 5 N 3.95 3.28 -0.14 1.61 -0.21 -1.26 -4.99 119.66 121.91 2gtj s GLN 5 Ca 0.38 -0.74 0.16 0.00 0.02 0.00 0.00 55.36 55.19 2gtj s GLN 5 Cb -0.10 -2.57 -0.24 0.00 1.00 0.00 0.00 33.01 31.10 2gtj s GLN 5 CO 0.27 0.16 0.30 1.17 -2.12 0.00 0.00 175.29 175.07 2gtj n LYS 6 N 3.66 0.67 -0.43 2.91 4.81 -1.26 -4.31 118.16 124.20 2gtj n LYS 6 Ca -0.18 0.11 -0.03 0.00 -0.87 0.00 0.00 58.31 57.33 2gtj n LYS 6 Cb 0.53 -1.63 0.13 0.00 0.02 0.00 0.00 35.03 34.08 2gtj n LYS 6 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2gtj n GLU 7 N -2.86 2.13 0.00 1.64 -0.58 -1.26 -4.45 120.64 115.26 2gtj n GLU 7 Ca -0.26 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.20 2gtj n GLU 7 Cb 1.11 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 2gtj n GLU 7 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gtj n LYS 8 N 0.06 0.00 -3.88 3.49 5.02 -1.26 -4.76 118.16 116.83 2gtj n LYS 8 Ca 0.17 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.34 2gtj n LYS 8 Cb 0.80 -0.71 -0.13 0.00 -0.02 0.00 0.00 35.03 34.97 2gtj n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2gtj s GLU 9 N -0.45 1.83 0.00 1.97 2.12 -1.26 -4.72 118.70 118.18 2gtj s GLU 9 Ca 0.00 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.52 2gtj s GLU 9 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2gtj s GLU 9 CO 0.00 -1.00 0.00 0.36 -0.54 0.00 0.00 175.26 174.08 2gtj n LYS 10 N 4.46 4.07 -0.44 4.30 2.85 -1.26 -5.13 118.16 127.01 2gtj n LYS 10 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2gtj n LYS 10 Cb 0.42 -0.34 -0.00 0.00 -0.65 0.00 0.00 35.03 34.46 2gtj n LYS 10 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2gtj n LYS 11 N 0.00 -1.15 -2.27 -1.58 4.81 -1.26 -4.72 118.16 111.99 2gtj n LYS 11 Ca 0.00 0.90 -0.34 0.00 -0.87 0.00 0.00 58.31 58.00 2gtj n LYS 11 Cb 0.00 -1.14 -0.04 0.00 0.02 0.00 0.00 35.03 33.88 2gtj n LYS 11 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2gtj s GLU 12 N -4.31 2.99 -0.09 1.64 0.41 -1.26 -4.69 118.70 113.38 2gtj s GLU 12 Ca 0.00 -0.50 0.04 0.00 -0.41 0.00 0.00 54.97 54.10 2gtj s GLU 12 Cb 0.00 -5.03 -0.24 0.00 -1.78 0.00 0.00 34.13 27.08 2gtj s GLU 12 CO 0.00 -2.79 0.47 1.04 -0.49 0.00 0.00 175.26 173.50 2gtj n GLN 13 N 8.95 0.69 0.06 1.61 1.13 -1.26 -4.22 117.38 124.33 2gtj n GLN 13 Ca 0.32 0.26 0.09 0.00 -1.94 0.00 0.00 57.00 55.74 2gtj n GLN 13 Cb 0.49 -1.73 0.40 0.00 0.11 0.00 0.00 30.24 29.51 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 -3.23 0.09 0.09 -1.09 4.71 -1.26 -1.99 120.64 117.96 2gtj n GLU 14 Ca -0.25 0.31 0.06 0.00 -0.01 0.00 0.00 57.16 57.27 2gtj n GLU 14 Cb 1.05 -1.66 -0.02 0.00 -1.01 0.00 0.00 31.44 29.80 2gtj n GLU 14 CO 0.00 0.00 0.00 -0.84 0.09 0.00 0.00 177.13 176.38 2gtj h ILE 15 N 0.00 0.32 -0.15 -3.67 -0.00 -1.90 -3.33 117.51 108.77 2gtj h ILE 15 Ca 0.00 -1.57 0.03 0.00 -0.00 0.00 0.00 64.86 63.32 2gtj h ILE 15 Cb 0.32 1.88 -0.06 0.00 -0.00 0.00 0.00 36.82 38.96 2gtj h ILE 15 CO 0.00 0.18 -0.46 0.50 -0.00 0.00 0.00 178.15 178.37 2gtj h LYS 16 N 0.00 -0.44 -0.55 0.16 1.63 -1.62 -1.30 116.57 114.45 2gtj h LYS 16 Ca -0.07 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2gtj h LYS 16 Cb 1.29 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 2gtj h LYS 16 CO 0.03 -0.30 0.00 1.17 -3.45 0.00 0.00 179.45 176.90 2gtj n LYS 17 N -4.95 3.01 -0.09 1.90 4.81 -1.26 -2.45 118.16 119.13 2gtj n LYS 17 Ca -0.05 -2.51 -0.17 0.00 -0.87 0.00 0.00 58.31 54.72 2gtj n LYS 17 Cb 0.31 -1.55 -0.11 0.00 0.02 0.00 0.00 35.03 33.70 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 3.28 0.00 0.00 1.64 1.63 -1.38 -3.36 116.57 118.38 2gtj h LYS 18 Ca 0.00 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.54 2gtj h LYS 18 Cb 1.03 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.61 2gtj h LYS 18 CO 0.06 0.93 -1.62 0.35 -3.45 0.00 0.00 179.45 175.72 2gtj h PHE 19 N -1.00 0.00 -3.54 1.91 3.04 -1.57 -3.46 116.94 112.32 2gtj h PHE 19 Ca -0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.79 2gtj h PHE 19 Cb 1.08 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.59 2gtj h PHE 19 CO 0.17 0.90 -0.23 1.63 -2.02 0.00 0.00 178.31 178.76 2gtj n LYS 20 N -3.01 -0.84 -0.00 1.11 5.02 -1.12 -4.47 118.16 114.86 2gtj n LYS 20 Ca -0.15 1.05 -0.00 0.00 -2.02 0.00 0.00 58.31 57.19 2gtj n LYS 20 Cb 1.00 -2.18 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.07 0.02 -2.97 -0.35 7.99 -1.03 -4.95 117.00 115.79 2gtj n LEU 21 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.91 2gtj n LEU 21 Cb 0.02 -0.50 0.01 0.00 -0.11 0.00 0.00 43.42 42.84 2gtj n LEU 21 CO 0.11 -0.50 -0.25 0.41 -1.51 0.00 0.00 177.39 175.66 2gtj n THR 22 N -2.52 -9.02 0.00 -5.08 -1.04 -1.26 -4.90 114.28 90.47 2gtj n THR 22 Ca -0.00 1.01 0.00 0.00 -2.04 0.00 0.00 64.05 63.01 2gtj n THR 22 Cb 0.01 -6.00 0.00 0.00 -1.82 0.00 0.00 70.33 62.51 2gtj n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gtj n GLY 23 N 0.24 0.44 3.70 3.41 0.00 -1.26 -5.06 105.19 106.66 2gtj n GLY 23 Ca 0.03 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2gtj n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gtj s PRO 24 N -1.45 4.27 -0.04 1.61 0.02 -1.26 -5.01 135.00 133.13 2gtj s PRO 24 Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.17 2gtj s PRO 24 Cb 0.00 -3.38 0.03 0.00 0.02 0.00 0.00 34.50 31.16 2gtj s PRO 24 CO 0.00 -0.56 -0.01 -1.50 -0.33 0.00 0.00 177.00 174.60 2gtj s ILE 25 N 1.74 0.32 0.12 2.83 1.10 -1.26 -5.12 121.20 120.93 2gtj s ILE 25 Ca 0.67 0.05 -0.10 0.00 -0.51 0.00 0.00 60.65 60.76 2gtj s ILE 25 Cb -0.37 -0.41 -0.00 0.00 0.15 0.00 0.00 42.46 41.82 2gtj s ILE 25 CO 0.30 0.20 0.25 0.00 -2.11 0.00 0.00 174.94 173.58 2gtj s GLN 26 N 1.25 1.00 0.14 3.50 -2.07 -1.26 -5.13 119.66 117.09 2gtj s GLN 26 Ca -0.06 -1.03 -0.30 0.00 -1.82 0.00 0.00 55.36 52.15 2gtj s GLN 26 Cb -0.13 0.37 -0.07 0.00 -1.09 0.00 0.00 33.01 32.09 2gtj s GLN 26 CO -0.02 -0.35 1.07 0.54 -1.32 0.00 0.00 175.29 175.21 2gtj s VAL 27 N -3.90 4.10 -0.23 3.63 0.11 -1.26 -4.40 120.40 118.45 2gtj s VAL 27 Ca 0.10 1.75 0.10 0.00 -2.93 0.00 0.00 61.98 61.00 2gtj s VAL 27 Cb 0.04 -4.12 -0.21 0.00 -1.53 0.00 0.00 36.38 30.56 2gtj s VAL 27 CO -0.06 0.27 -0.06 -0.38 -3.33 0.00 0.00 175.10 171.54 2gtj n ILE 28 N 2.71 1.44 -3.58 7.04 5.41 0.11 -4.98 119.36 127.51 2gtj n ILE 28 Ca 0.03 -0.72 -0.10 0.00 1.00 0.00 0.00 62.75 62.96 2gtj n ILE 28 Cb 0.47 -0.93 -0.02 0.00 -0.71 0.00 0.00 39.64 38.45 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 -2.51 -0.39 -0.31 1.39 3.76 -1.21 -4.90 115.29 111.13 2gtj s HIS 29 Ca -0.22 0.09 -0.10 0.00 -0.15 0.00 0.00 55.06 54.68 2gtj s HIS 29 Cb 0.07 0.56 -0.01 0.00 1.11 0.00 0.00 32.58 34.31 2gtj s HIS 29 CO 0.72 -0.95 0.16 -0.51 -0.85 0.00 0.00 174.74 173.32 2gtj s LEU 30 N -2.81 4.11 0.27 0.89 1.02 -1.26 -0.39 118.68 120.50 2gtj s LEU 30 Ca 0.05 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 53.74 2gtj s LEU 30 Cb -0.02 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.12 2gtj s LEU 30 CO -0.07 -0.17 0.50 0.00 0.02 0.00 0.00 176.35 176.63 2gtj s ALA 31 N 1.64 3.69 -0.19 4.21 0.00 0.17 -0.68 121.76 130.60 2gtj s ALA 31 Ca 0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 2gtj s ALA 31 Cb -0.17 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2gtj s ALA 31 CO 0.07 0.27 0.02 0.21 0.00 0.00 0.00 175.76 176.33 2gtj s LYS 32 N -3.58 3.74 -0.31 0.00 2.20 0.14 0.33 119.74 122.25 2gtj s LYS 32 Ca 0.42 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 55.28 2gtj s LYS 32 Cb -0.11 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 2gtj s LYS 32 CO 0.30 0.10 1.94 0.00 -0.36 0.00 0.00 175.35 177.33 2gtj s ALA 33 N 0.79 2.78 -0.50 3.13 0.00 -1.26 -0.55 121.76 126.15 2gtj s ALA 33 Ca 0.01 0.38 0.24 0.00 0.00 0.00 0.00 51.96 52.60 2gtj s ALA 33 Cb -0.14 -4.05 0.42 0.00 0.00 0.00 0.00 23.12 19.35 2gtj s ALA 33 CO 0.02 -2.76 1.60 0.00 0.00 0.00 0.00 175.76 174.62 2gtj s ASP 36 N -1.58 6.29 0.30 0.00 2.15 -1.26 -3.60 116.67 118.97 2gtj s ASP 36 Ca -0.11 -0.57 0.09 0.00 0.43 0.00 0.00 52.55 52.39 2gtj s ASP 36 Cb -0.05 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 2gtj s ASP 36 CO 0.01 -1.12 0.01 0.54 -0.17 0.00 0.00 175.17 174.43 2gtj s VAL 37 N 3.51 3.04 -0.17 1.11 0.11 -0.10 -4.89 120.40 123.01 2gtj s VAL 37 Ca 0.25 -1.94 0.14 0.00 -2.93 0.00 0.00 61.98 57.50 2gtj s VAL 37 Cb -0.15 -2.80 0.43 0.00 -1.53 0.00 0.00 36.38 32.33 2gtj s VAL 37 CO 0.16 -0.29 1.20 2.29 -3.33 0.00 0.00 175.10 175.13 2gtj n LYS 38 N -0.93 1.48 -1.44 1.54 2.85 -1.26 -1.94 118.16 118.45 2gtj n LYS 38 Ca -0.05 -3.13 0.00 0.00 -1.05 0.00 0.00 58.31 54.08 2gtj n LYS 38 Cb 0.60 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 2gtj n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2gtj n GLY 39 N -0.70 0.88 3.60 2.58 0.00 -0.90 -4.68 105.19 105.97 2gtj n GLY 39 Ca 0.18 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.93 1.71 -0.72 -0.02 0.00 -1.26 -4.15 107.32 99.95 2gtj s GLY 40 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 2gtj s GLY 40 CO 0.00 1.65 0.68 1.17 0.00 0.00 0.00 173.10 176.60 2gtj n LYS 41 N 6.17 -1.46 -3.15 2.90 4.81 -1.26 -4.24 118.16 121.94 2gtj n LYS 41 Ca 0.02 1.47 -0.21 0.00 -0.87 0.00 0.00 58.31 58.72 2gtj n LYS 41 Cb 0.48 -5.30 0.02 0.00 0.02 0.00 0.00 35.03 30.25 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 -1.71 -6.88 -2.16 3.14 4.13 -1.26 -5.04 115.26 105.49 2gtj n ASN 42 Ca -0.03 0.20 -0.09 0.00 1.68 0.00 0.00 54.58 56.34 2gtj n ASN 42 Cb 0.52 -3.78 -0.02 0.00 -1.54 0.00 0.00 39.78 34.96 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 -0.35 0.36 -3.75 3.52 2.13 -1.26 -4.58 120.64 116.72 2gtj n GLU 43 Ca 0.02 -1.65 -0.27 0.00 0.66 0.00 0.00 57.16 55.93 2gtj n GLU 43 Cb 0.56 1.53 -0.03 0.00 0.27 0.00 0.00 31.44 33.77 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 -0.34 4.31 0.20 -1.25 -4.41 118.68 121.44 2gtj s LEU 44 Ca 0.18 0.33 -0.12 0.00 0.69 0.00 0.00 54.13 55.21 2gtj s LEU 44 Cb -0.00 -3.10 -0.02 0.00 -0.43 0.00 0.00 46.19 42.64 2gtj s LEU 44 CO 0.13 -0.04 0.23 -0.44 -0.29 0.00 0.00 176.35 175.94 2gtj s SER 45 N -3.27 5.99 0.08 3.68 0.01 -1.26 -2.12 113.70 116.80 2gtj s SER 45 Ca 0.37 -0.43 -0.12 0.00 1.31 0.00 0.00 55.95 57.08 2gtj s SER 45 Cb -0.11 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 64.02 2gtj s SER 45 CO 0.29 -0.23 0.28 0.72 0.41 0.00 0.00 173.24 174.71 2gtj s PHE 46 N 1.71 -0.02 0.15 2.43 -0.12 -0.82 -4.97 117.98 116.34 2gtj s PHE 46 Ca 0.06 -0.29 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 2gtj s PHE 46 Cb -0.17 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 2gtj s PHE 46 CO 0.10 -0.56 -0.02 0.15 -0.05 0.00 0.00 175.22 174.84 2gtj s LYS 47 N -3.39 2.38 -0.28 1.99 1.02 -1.26 -0.92 119.74 119.27 2gtj s LYS 47 Ca 0.01 -1.04 -0.32 0.00 0.02 0.00 0.00 55.97 54.64 2gtj s LYS 47 Cb 0.02 -2.38 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 2gtj s LYS 47 CO -0.09 0.48 2.20 0.94 -0.92 0.00 0.00 175.35 177.97 2gtj n GLN 48 N 0.16 1.53 -0.32 1.68 0.00 -1.24 -0.55 117.38 118.64 2gtj n GLN 48 Ca -0.11 0.42 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 2gtj n GLN 48 Cb 0.54 -2.85 0.00 0.00 0.00 0.00 0.00 30.24 27.93 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 6.14 1.48 0.12 1.69 0.00 -0.49 -4.94 105.19 109.18 2gtj n GLY 49 Ca 0.35 -0.17 -0.20 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 0.39 -2.89 1.61 4.57 -1.05 -3.48 114.58 113.73 2gtj h GLU 50 Ca 0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 59.36 57.52 2gtj h GLU 50 Cb 0.13 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2gtj h GLU 50 CO 0.00 1.31 -0.39 0.94 -1.18 0.00 0.00 179.01 179.69 2gtj n GLN 51 N -3.61 -2.12 -4.48 1.92 7.27 -1.26 -4.97 117.38 110.13 2gtj n GLN 51 Ca -0.12 1.83 -0.24 0.00 0.07 0.00 0.00 57.00 58.54 2gtj n GLN 51 Cb 1.06 -2.06 -0.10 0.00 2.41 0.00 0.00 30.24 31.55 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 2.46 -0.08 1.69 1.01 0.15 -4.70 121.20 121.51 2gtj s ILE 52 Ca 0.00 -2.37 0.04 0.00 0.00 0.00 0.00 60.65 58.32 2gtj s ILE 52 Cb 0.00 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 2gtj s ILE 52 CO 0.00 -0.37 -0.21 -1.61 0.00 0.00 0.00 174.94 172.75 2gtj s GLU 53 N -3.53 2.77 -0.15 2.79 2.02 -0.12 0.43 118.70 122.92 2gtj s GLU 53 Ca 0.30 -0.82 -0.20 0.00 0.02 0.00 0.00 54.97 54.27 2gtj s GLU 53 Cb -0.04 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 2gtj s GLU 53 CO 0.15 0.36 0.57 -1.50 0.02 0.00 0.00 175.26 174.87 2gtj s ILE 54 N -0.09 5.09 -0.13 -1.63 1.10 0.47 -0.90 121.20 125.12 2gtj s ILE 54 Ca -0.04 1.10 0.01 0.00 -0.51 0.00 0.00 60.65 61.21 2gtj s ILE 54 Cb -0.14 -3.90 -0.08 0.00 0.15 0.00 0.00 42.46 38.49 2gtj s ILE 54 CO 0.04 0.21 -0.11 2.30 -2.11 0.00 0.00 174.94 175.28 2gtj n ILE 55 N 4.22 0.73 -4.14 2.00 -0.00 -0.39 0.05 119.36 121.83 2gtj n ILE 55 Ca -0.04 -0.29 -0.19 0.00 -0.00 0.00 0.00 62.75 62.23 2gtj n ILE 55 Cb 0.51 -0.94 -0.16 0.00 -0.00 0.00 0.00 39.64 39.04 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 -2.25 0.75 0.00 6.28 6.06 -1.16 -4.56 118.95 124.06 2gtj s ARG 56 Ca -0.17 -0.09 0.00 0.00 -2.50 0.00 0.00 55.73 52.98 2gtj s ARG 56 Cb 0.04 -0.77 0.00 0.00 0.06 0.00 0.00 34.95 34.28 2gtj s ARG 56 CO 0.30 -0.08 0.29 0.44 -2.50 0.00 0.00 175.30 173.75 2gtj n ILE 57 N 4.00 0.00 -4.35 4.11 -0.00 -1.26 -0.87 119.36 120.98 2gtj n ILE 57 Ca -0.26 -0.36 -0.31 0.00 -0.00 0.00 0.00 62.75 61.82 2gtj n ILE 57 Cb 0.51 1.22 -0.10 0.00 -0.00 0.00 0.00 39.64 41.27 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 -0.14 3.43 -1.20 7.28 -4.23 -1.26 -4.52 115.64 115.00 2gtj s THR 58 Ca 0.00 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 2gtj s THR 58 Cb 0.00 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2gtj s THR 58 CO 0.00 0.23 0.00 -0.67 -0.54 0.00 0.00 174.62 173.64 2gtj n ASP 59 N 1.08 -4.26 -4.63 3.99 2.03 -1.26 -4.95 116.55 108.54 2gtj n ASP 59 Ca -0.14 0.04 -0.43 0.00 0.52 0.00 0.00 54.79 54.77 2gtj n ASP 59 Cb 0.52 -3.37 -0.02 0.00 -0.72 0.00 0.00 41.12 37.53 2gtj n ASP 59 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2gtj s ASN 60 N -2.45 6.77 0.03 1.67 4.22 -1.26 -4.79 114.94 119.13 2gtj s ASN 60 Ca 0.00 1.06 -0.25 0.00 -2.14 0.00 0.00 52.86 51.53 2gtj s ASN 60 Cb 0.00 -2.54 -0.14 0.00 1.28 0.00 0.00 41.25 39.85 2gtj s ASN 60 CO 0.00 -1.02 1.24 -0.65 -2.04 0.00 0.00 177.10 174.64 2gtj h PRO 61 N 8.80 -0.87 0.00 3.55 0.11 -1.85 -3.20 132.00 138.53 2gtj h PRO 61 Ca -0.23 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2gtj h PRO 61 Cb 1.08 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2gtj h PRO 61 CO 1.04 -0.58 0.00 -1.91 -0.21 0.00 0.00 178.00 176.34 2gtj n GLU 62 N -4.71 0.13 -0.51 1.05 2.13 -1.26 -4.83 120.64 112.65 2gtj n GLU 62 Ca -0.11 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2gtj n GLU 62 Cb 0.36 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.57 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 0.90 0.75 3.96 8.31 0.00 -1.21 -5.05 105.19 112.85 2gtj n GLY 63 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.49 3.23 0.57 1.61 -2.85 -1.26 -4.77 119.74 115.79 2gtj s LYS 64 Ca 0.00 -0.60 0.06 0.00 -1.00 0.00 0.00 55.97 54.43 2gtj s LYS 64 Cb 0.00 -2.69 0.08 0.00 -2.06 0.00 0.00 37.83 33.16 2gtj s LYS 64 CO 0.00 0.01 0.79 -1.58 0.10 0.00 0.00 175.35 174.66 2gtj s TRP 65 N -2.33 1.85 -0.22 1.78 0.51 0.90 -4.75 118.94 116.68 2gtj s TRP 65 Ca 0.44 -0.51 0.02 0.00 -2.12 0.00 0.00 56.10 53.93 2gtj s TRP 65 Cb -0.10 -2.46 0.04 0.00 -0.81 0.00 0.00 33.47 30.15 2gtj s TRP 65 CO 0.35 -1.10 -0.14 -1.17 -0.51 0.00 0.00 176.95 174.37 2gtj s LEU 66 N -4.71 2.83 0.27 2.99 2.96 -0.05 -0.30 118.68 122.67 2gtj s LEU 66 Ca 0.61 -1.07 0.12 0.00 -0.22 0.00 0.00 54.13 53.57 2gtj s LEU 66 Cb -0.07 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 2gtj s LEU 66 CO 0.39 -0.12 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.27 2gtj s GLY 67 N 1.21 1.87 0.07 7.98 0.00 -1.13 -1.26 107.32 116.05 2gtj s GLY 67 Ca -0.03 -1.86 0.03 0.00 0.00 0.00 0.00 44.72 42.85 2gtj s GLY 67 CO -0.08 -1.95 -0.09 -1.60 0.00 0.00 0.00 173.10 169.38 2gtj s ARG 68 N -3.49 0.68 0.35 2.90 3.52 -0.08 -1.73 118.95 121.11 2gtj s ARG 68 Ca 0.29 -0.96 0.08 0.00 -0.13 0.00 0.00 55.73 55.01 2gtj s ARG 68 Cb -0.05 -0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 32.90 2gtj s ARG 68 CO 0.15 0.06 0.14 0.99 -0.81 0.00 0.00 175.30 175.83 2gtj s THR 69 N -1.97 2.96 0.49 4.11 2.01 -1.11 -0.94 115.64 121.19 2gtj s THR 69 Ca -0.02 -1.70 0.28 0.00 0.31 0.00 0.00 61.69 60.56 2gtj s THR 69 Cb -0.06 -2.97 0.47 0.00 0.01 0.00 0.00 72.50 69.94 2gtj s THR 69 CO -0.00 -0.17 1.85 0.00 -0.69 0.00 0.00 174.62 175.60 2gtj h ALA 70 N 1.54 2.69 -0.00 7.40 0.00 -1.94 0.18 119.26 129.13 2gtj h ALA 70 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2gtj h ALA 70 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2gtj h ALA 70 CO 0.64 -0.99 -0.32 2.89 0.00 0.00 0.00 179.25 181.46 2gtj n ARG 71 N -4.35 0.51 -0.66 0.00 -4.01 -1.26 -4.97 116.66 101.92 2gtj n ARG 71 Ca 0.21 -0.28 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 2gtj n ARG 71 Cb 0.96 -1.49 0.00 0.00 -3.04 0.00 0.00 32.46 28.89 2gtj n ARG 71 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2gtj n GLY 72 N 1.39 -1.22 3.36 2.89 0.00 0.62 -5.09 105.19 107.15 2gtj n GLY 72 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.53 -0.82 1.61 0.01 -1.25 -4.82 113.70 107.89 2gtj s SER 73 Ca 0.00 1.10 0.01 0.00 1.31 0.00 0.00 55.95 58.36 2gtj s SER 73 Cb 0.00 1.30 0.20 0.00 0.21 0.00 0.00 66.02 67.73 2gtj s SER 73 CO 0.00 -0.22 0.68 -0.31 0.41 0.00 0.00 173.24 173.80 2gtj s TYR 74 N 2.16 3.78 -0.54 2.43 1.51 -1.26 -2.75 117.35 122.69 2gtj s TYR 74 Ca -0.06 -3.13 -0.17 0.00 -1.01 0.00 0.00 57.07 52.70 2gtj s TYR 74 Cb -0.10 -3.06 0.10 0.00 -0.11 0.00 0.00 41.96 38.79 2gtj s TYR 74 CO -0.14 -0.67 0.56 0.20 -1.11 0.00 0.00 175.55 174.38 2gtj s GLY 75 N -0.57 1.93 -0.76 0.71 0.00 -0.70 -4.83 107.32 103.10 2gtj s GLY 75 Ca 0.26 -2.23 -0.29 0.00 0.00 0.00 0.00 44.72 42.46 2gtj s GLY 75 CO -0.14 1.33 2.56 1.58 0.00 0.00 0.00 173.10 178.44 2gtj n TYR 76 N 5.72 0.97 -2.81 1.90 0.18 -1.26 -2.82 117.16 119.03 2gtj n TYR 76 Ca -0.11 0.27 -0.36 0.00 1.88 0.00 0.00 57.90 59.58 2gtj n TYR 76 Cb 0.42 -2.50 -0.07 0.00 -0.38 0.00 0.00 39.34 36.82 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 10.35 4.28 -0.29 -3.48 -4.36 0.60 -4.04 121.20 124.25 2gtj s ILE 77 Ca 1.19 1.71 -0.27 0.00 -0.26 0.00 0.00 60.65 63.01 2gtj s ILE 77 Cb -0.78 -3.91 0.01 0.00 1.25 0.00 0.00 42.46 39.03 2gtj s ILE 77 CO 0.39 0.04 0.98 -1.59 0.24 0.00 0.00 174.94 175.01 2gtj s LYS 78 N -2.31 4.09 0.31 0.37 -2.85 -1.26 -0.07 119.74 118.03 2gtj s LYS 78 Ca 0.52 1.01 0.20 0.00 -1.00 0.00 0.00 55.97 56.71 2gtj s LYS 78 Cb -0.16 -3.71 1.09 0.00 -2.06 0.00 0.00 37.83 32.99 2gtj s LYS 78 CO 0.21 -0.77 1.21 0.25 0.10 0.00 0.00 175.35 176.35 2gtj n THR 79 N 5.64 -0.26 0.52 3.79 -2.24 -1.26 0.15 114.28 120.61 2gtj n THR 79 Ca 0.10 1.48 0.07 0.00 -2.27 0.00 0.00 64.05 63.43 2gtj n THR 79 Cb 0.47 -2.42 0.32 0.00 -2.10 0.00 0.00 70.33 66.60 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 -4.51 0.96 0.98 4.28 5.66 -1.26 -2.26 114.28 118.14 2gtj n THR 80 Ca 0.30 0.24 0.11 0.00 -3.05 0.00 0.00 64.05 61.65 2gtj n THR 80 Cb 1.09 -0.98 0.12 0.00 -1.55 0.00 0.00 70.33 69.01 2gtj n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gtj n ALA 81 N -1.49 3.93 -2.58 1.79 0.00 0.12 -4.89 120.51 117.40 2gtj n ALA 81 Ca 0.04 -0.43 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 2gtj n ALA 81 Cb 0.17 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.01 1.32 -0.29 0.00 -7.23 -0.96 -0.53 120.40 109.70 2gtj s VAL 82 Ca 0.10 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2gtj s VAL 82 Cb 0.17 -1.38 0.07 0.00 0.56 0.00 0.00 36.38 35.80 2gtj s VAL 82 CO 0.76 -0.29 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.60 2gtj s GLU 83 N -2.22 2.06 0.71 4.82 2.02 0.28 -4.84 118.70 121.53 2gtj s GLU 83 Ca 0.05 -1.49 -0.11 0.00 0.02 0.00 0.00 54.97 53.43 2gtj s GLU 83 Cb -0.08 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.14 2gtj s GLU 83 CO 0.03 -0.69 1.07 0.96 0.02 0.00 0.00 175.26 176.65 2gtj s ILE 84 N 1.07 3.72 -0.57 -1.63 -4.36 -1.26 0.23 121.20 118.40 2gtj s ILE 84 Ca -0.03 0.59 -0.19 0.00 -0.26 0.00 0.00 60.65 60.76 2gtj s ILE 84 Cb -0.20 -3.21 0.09 0.00 1.25 0.00 0.00 42.46 40.39 2gtj s ILE 84 CO -0.05 -0.70 0.70 -0.62 0.24 0.00 0.00 174.94 174.51 2gtj s ASP 85 N -3.51 6.19 0.23 4.36 2.15 0.14 -4.82 116.67 121.41 2gtj s ASP 85 Ca 0.60 -1.25 -0.07 0.00 0.43 0.00 0.00 52.55 52.27 2gtj s ASP 85 Cb -0.16 -2.31 0.38 0.00 -0.30 0.00 0.00 42.92 40.54 2gtj s ASP 85 CO 0.53 -1.07 1.72 1.88 -0.17 0.00 0.00 175.17 178.06 2gtj h TYR 86 N 9.16 0.40 -3.43 -5.34 0.05 -1.93 -3.10 116.97 112.77 2gtj h TYR 86 Ca -0.29 0.04 -0.67 0.00 0.05 0.00 0.00 58.73 57.86 2gtj h TYR 86 Cb 1.09 -0.07 -0.38 0.00 1.01 0.00 0.00 36.73 38.37 2gtj h TYR 86 CO 0.82 0.04 -0.47 -0.51 -1.05 0.00 0.00 178.16 176.99 2gtj s ASP 87 N -5.34 4.87 -0.54 3.88 1.11 -1.26 -5.04 116.67 114.36 2gtj s ASP 87 Ca -0.13 -3.07 -0.28 0.00 0.18 0.00 0.00 52.55 49.26 2gtj s ASP 87 Cb 0.19 -1.75 0.00 0.00 1.07 0.00 0.00 42.92 42.43 2gtj s ASP 87 CO 0.75 -0.27 1.53 -0.44 1.18 0.00 0.00 175.17 177.92 2gtj s SER 88 N 0.04 5.97 0.00 0.27 0.01 -1.17 -3.34 113.70 115.48 2gtj s SER 88 Ca 0.18 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2gtj s SER 88 Cb -0.21 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2gtj s SER 88 CO -0.04 -1.81 0.00 -0.11 0.41 0.00 0.00 173.24 171.69 2gtj n LEU 89 N 10.15 0.00 -2.17 2.44 7.94 -1.26 -4.45 117.00 129.65 2gtj n LEU 89 Ca 0.15 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.01 2gtj n LEU 89 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2gtj n LEU 89 CO 0.71 0.00 0.03 1.17 -1.11 0.00 0.00 177.39 178.18 2gtj n LYS 90 N 0.00 -1.18 -4.13 1.96 4.81 -1.21 -5.09 118.16 113.32 2gtj n LYS 90 Ca 0.00 1.30 -0.12 0.00 -0.87 0.00 0.00 58.31 58.62 2gtj n LYS 90 Cb 0.00 -3.57 -0.11 0.00 0.02 0.00 0.00 35.03 31.37 2gtj n LYS 90 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2gtj s LEU 91 N -1.80 2.39 -0.33 3.14 2.34 -1.26 -5.11 118.68 118.05 2gtj s LEU 91 Ca 0.12 -0.79 0.05 0.00 0.06 0.00 0.00 54.13 53.58 2gtj s LEU 91 Cb -0.03 -0.16 0.18 0.00 -0.56 0.00 0.00 46.19 45.61 2gtj s LEU 91 CO 0.38 -0.32 0.54 -1.59 -1.06 0.00 0.00 176.35 174.31 2gtj s LYS 92 N -2.75 0.60 0.08 1.48 -2.85 -1.26 -5.10 119.74 109.94 2gtj s LYS 92 Ca 0.02 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 2gtj s LYS 92 Cb -0.02 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 2gtj s LYS 92 CO -0.02 -1.09 0.00 1.63 0.10 0.00 0.00 175.35 175.97 2gtj n LYS 93 N 5.06 -0.57 -0.72 1.78 5.02 -1.26 -4.64 118.16 122.83 2gtj n LYS 93 Ca 0.06 0.40 -0.01 0.00 -2.02 0.00 0.00 58.31 56.74 2gtj n LYS 93 Cb 0.53 -0.69 0.20 0.00 -0.02 0.00 0.00 35.03 35.06 2gtj n LYS 93 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2gtj n ASP 94 N -2.26 2.49 0.11 4.39 8.00 -1.26 -4.65 116.55 123.39 2gtj n ASP 94 Ca -0.00 -3.70 -0.01 0.00 0.71 0.00 0.00 54.79 51.78 2gtj n ASP 94 Cb 0.13 -0.61 0.24 0.00 -0.02 0.00 0.00 41.12 40.85 2gtj n ASP 94 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2gtj h LEU 95 N 1.04 0.18 -1.80 0.64 5.85 -2.06 -3.57 115.31 115.58 2gtj h LEU 95 Ca 0.17 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2gtj h LEU 95 Cb 1.54 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2gtj h LEU 95 CO 0.31 0.60 0.00 -0.62 -0.34 0.00 0.00 178.44 178.39