#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3g n PRO 29 N 0.00 2.67 -2.90 1.61 -0.02 -1.26 -4.92 135.00 130.18 2k3g n PRO 29 Ca 0.00 0.98 -0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2k3g n PRO 29 Cb 0.00 -2.90 -0.01 0.00 -0.02 0.00 0.00 33.50 30.57 2k3g n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3g n GLU 30 N 7.09 0.49 -2.52 -0.52 1.02 -1.26 -5.08 120.64 119.87 2k3g n GLU 30 Ca 0.21 -2.27 -0.40 0.00 -0.02 0.00 0.00 57.16 54.67 2k3g n GLU 30 Cb 0.37 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 2k3g n GLU 30 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k3g s ASP 31 N 0.42 6.47 -0.20 1.62 -1.08 -1.26 -4.89 116.67 117.76 2k3g s ASP 31 Ca 0.31 -1.70 -0.08 0.00 -0.52 0.00 0.00 52.55 50.56 2k3g s ASP 31 Cb 0.03 -2.57 0.08 0.00 -1.46 0.00 0.00 42.92 39.00 2k3g s ASP 31 CO -0.10 -1.54 0.43 -0.89 0.52 0.00 0.00 175.17 173.60 2k3g s THR 32 N 5.27 -0.49 0.46 1.71 2.01 -1.26 -5.16 115.64 118.18 2k3g s THR 32 Ca 0.51 0.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 2k3g s THR 32 Cb 0.01 -0.67 -0.10 0.00 0.01 0.00 0.00 72.50 71.75 2k3g s THR 32 CO -0.03 0.06 0.98 -0.76 -0.69 0.00 0.00 174.62 174.18 2k3g s LEU 33 N 2.29 3.88 0.01 4.42 1.43 -1.26 -4.88 118.68 124.57 2k3g s LEU 33 Ca -0.04 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 2k3g s LEU 33 Cb -0.11 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.49 2k3g s LEU 33 CO -0.13 -0.52 1.73 -2.84 0.23 0.00 0.00 176.35 174.82 2k3g s PRO 34 N -3.27 4.18 -0.41 1.29 0.02 -1.26 -4.60 135.00 130.95 2k3g s PRO 34 Ca 0.64 2.34 0.09 0.00 0.02 0.00 0.00 61.00 64.08 2k3g s PRO 34 Cb -0.11 -3.91 0.38 0.00 0.02 0.00 0.00 34.50 30.87 2k3g s PRO 34 CO 0.17 -0.84 1.24 1.97 -0.33 0.00 0.00 177.00 179.21 2k3g n PHE 35 N 6.78 -2.17 -3.37 6.54 -1.74 -1.25 -5.01 117.46 117.24 2k3g n PHE 35 Ca 0.17 -2.12 0.00 0.00 -0.56 0.00 0.00 57.45 54.95 2k3g n PHE 35 Cb 0.42 1.37 -0.03 0.00 1.52 0.00 0.00 39.48 42.76 2k3g n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2k3g s LEU 36 N -2.93 -1.18 -0.19 5.98 2.96 -1.22 -4.96 118.68 117.13 2k3g s LEU 36 Ca 0.23 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 55.09 2k3g s LEU 36 Cb 0.38 2.05 -0.05 0.00 0.50 0.00 0.00 46.19 49.07 2k3g s LEU 36 CO -0.07 -0.25 0.14 -0.75 -1.32 0.00 0.00 176.35 174.10 2k3g s LYS 37 N 2.82 4.12 -0.04 1.98 2.20 -1.26 -1.74 119.74 127.82 2k3g s LYS 37 Ca 0.10 -0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.56 2k3g s LYS 37 Cb -0.14 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2k3g s LYS 37 CO -0.19 0.35 -0.17 0.00 -0.36 0.00 0.00 175.35 174.97 2k3g s TYR 39 N -0.72 3.62 -0.05 0.00 5.04 -1.26 -1.73 117.35 122.25 2k3g s TYR 39 Ca 0.11 1.40 0.05 0.00 -2.44 0.00 0.00 57.07 56.19 2k3g s TYR 39 Cb -0.10 -2.63 -0.02 0.00 0.35 0.00 0.00 41.96 39.56 2k3g s TYR 39 CO 0.00 0.30 -0.21 0.00 -1.34 0.00 0.00 175.55 174.31 2k3g s SER 41 N -0.41 3.14 0.00 0.00 0.15 -1.26 -4.85 113.70 110.48 2k3g s SER 41 Ca 0.04 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2k3g s SER 41 Cb -0.12 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 2k3g s SER 41 CO 0.02 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2k3g n GLY 42 N 4.68 1.82 3.40 9.45 0.00 -1.26 -3.46 105.19 119.82 2k3g n GLY 42 Ca -0.17 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2k3g n GLY 42 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k3g s HIS 43 N 0.00 3.22 -0.01 1.61 5.65 -1.26 -5.04 115.29 119.46 2k3g s HIS 43 Ca 0.00 -0.84 0.01 0.00 0.25 0.00 0.00 55.06 54.48 2k3g s HIS 43 Cb 0.00 -2.41 0.01 0.00 -1.18 0.00 0.00 32.58 29.00 2k3g s HIS 43 CO 0.00 -0.59 -0.02 0.00 -0.65 0.00 0.00 174.74 173.49 2k3g s PRO 45 N 0.22 2.34 0.54 0.00 0.04 -1.26 -4.87 135.00 132.01 2k3g s PRO 45 Ca -0.02 1.91 0.21 0.00 0.04 0.00 0.00 61.00 63.14 2k3g s PRO 45 Cb -0.04 -1.84 1.46 0.00 0.04 0.00 0.00 34.50 34.12 2k3g s PRO 45 CO -0.01 -1.72 2.18 0.22 0.04 0.00 0.00 177.00 177.71 2k3g h ASP 46 N 0.13 0.00 -0.41 6.66 1.82 -2.02 -1.14 116.42 121.45 2k3g h ASP 46 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 2k3g h ASP 46 Cb 1.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.33 2k3g h ASP 46 CO 0.51 0.01 0.00 -0.90 -1.61 0.00 0.00 179.24 177.26 2k3g n ASP 47 N -4.26 3.07 -4.82 2.28 5.68 -1.26 -4.97 116.55 112.27 2k3g n ASP 47 Ca -0.03 -2.25 -0.31 0.00 -0.50 0.00 0.00 54.79 51.71 2k3g n ASP 47 Cb 0.10 -0.44 0.05 0.00 -1.14 0.00 0.00 41.12 39.69 2k3g n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k3g s ALA 48 N -1.69 2.66 -0.04 2.12 0.00 -0.43 -5.06 121.76 119.31 2k3g s ALA 48 Ca 0.32 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.34 2k3g s ALA 48 Cb 0.20 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 2k3g s ALA 48 CO 0.16 -1.25 -0.20 0.42 0.00 0.00 0.00 175.76 174.90 2k3g s ILE 49 N -3.08 1.61 -1.55 0.00 1.01 -1.10 -4.76 121.20 113.33 2k3g s ILE 49 Ca 0.58 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 60.27 2k3g s ILE 49 Cb -0.14 -1.37 0.13 0.00 0.01 0.00 0.00 42.46 41.09 2k3g s ILE 49 CO 0.55 0.46 0.34 -0.46 0.00 0.00 0.00 174.94 175.82 2k3g n ASN 50 N 3.02 -0.72 -3.74 3.58 0.23 -1.26 -0.38 115.26 115.99 2k3g n ASN 50 Ca -0.18 -1.10 -0.25 0.00 -0.53 0.00 0.00 54.58 52.52 2k3g n ASN 50 Cb 0.53 -1.40 0.05 0.00 -2.08 0.00 0.00 39.78 36.87 2k3g n ASN 50 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k3g n ASN 51 N -2.21 -3.86 -4.07 0.53 3.02 -1.26 -4.99 115.26 102.42 2k3g n ASN 51 Ca -0.04 -0.72 -0.08 0.00 -0.03 0.00 0.00 54.58 53.71 2k3g n ASN 51 Cb 0.47 -4.30 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2k3g s THR 52 N -3.41 0.18 0.13 3.41 -4.23 0.48 -2.53 115.64 109.67 2k3g s THR 52 Ca 0.40 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2k3g s THR 52 Cb -0.19 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 2k3g s THR 52 CO 0.79 -0.82 0.09 0.00 -0.54 0.00 0.00 174.62 174.15 2k3g s ILE 54 N -4.02 3.81 0.03 0.00 1.01 -1.26 -1.52 121.20 119.24 2k3g s ILE 54 Ca 0.21 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 2k3g s ILE 54 Cb 0.07 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2k3g s ILE 54 CO 0.00 0.52 -0.03 0.28 0.00 0.00 0.00 174.94 175.71 2k3g s THR 55 N 0.06 0.15 -0.36 2.92 -1.32 -0.71 -5.00 115.64 111.39 2k3g s THR 55 Ca -0.01 -1.05 0.07 0.00 -1.21 0.00 0.00 61.69 59.49 2k3g s THR 55 Cb -0.14 -0.46 0.56 0.00 -1.51 0.00 0.00 72.50 70.96 2k3g s THR 55 CO 0.03 -0.56 1.63 -0.46 -2.21 0.00 0.00 174.62 173.05 2k3g n ASN 56 N 1.38 3.05 0.00 8.08 6.94 -1.26 -3.43 115.26 130.02 2k3g n ASN 56 Ca -0.22 -3.73 0.00 0.00 -0.02 0.00 0.00 54.58 50.60 2k3g n ASN 56 Cb 0.56 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 2k3g n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k3g n GLY 57 N -1.13 0.86 3.41 4.83 0.00 -1.22 -4.48 105.19 107.47 2k3g n GLY 57 Ca 0.44 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 2k3g n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 58 N 0.42 0.85 0.00 1.61 3.76 -1.10 -4.84 115.29 115.99 2k3g s HIS 58 Ca 0.00 -1.11 -0.16 0.00 -0.15 0.00 0.00 55.06 53.64 2k3g s HIS 58 Cb 0.00 -0.19 -0.06 0.00 1.11 0.00 0.00 32.58 33.44 2k3g s HIS 58 CO 0.00 -0.87 0.44 0.00 -0.85 0.00 0.00 174.74 173.46 2k3g s PHE 60 N -0.94 1.22 -0.13 0.00 -0.12 -1.07 -2.21 117.98 114.72 2k3g s PHE 60 Ca 0.25 -0.43 -0.15 0.00 -0.05 0.00 0.00 56.93 56.54 2k3g s PHE 60 Cb -0.17 -0.70 0.04 0.00 -0.63 0.00 0.00 43.02 41.56 2k3g s PHE 60 CO 0.14 0.05 0.41 0.00 -0.05 0.00 0.00 175.22 175.78 2k3g s ALA 61 N -1.17 -1.03 0.01 1.99 0.00 -0.92 -2.10 121.76 118.54 2k3g s ALA 61 Ca -0.01 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 2k3g s ALA 61 Cb -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2k3g s ALA 61 CO 0.02 -0.22 0.05 -1.50 0.00 0.00 0.00 175.76 174.12 2k3g s ILE 62 N -0.08 0.09 0.01 0.00 2.07 -0.67 -1.68 121.20 120.94 2k3g s ILE 62 Ca -0.03 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.48 2k3g s ILE 62 Cb -0.03 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 2k3g s ILE 62 CO 0.02 -0.41 -0.03 -0.51 -1.91 0.00 0.00 174.94 172.10 2k3g s ILE 63 N -1.31 0.15 -0.08 2.00 2.07 -0.41 -2.39 121.20 121.23 2k3g s ILE 63 Ca -0.14 -0.53 -0.08 0.00 -1.41 0.00 0.00 60.65 58.49 2k3g s ILE 63 Cb -0.08 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.31 2k3g s ILE 63 CO 0.00 -0.25 0.22 -1.61 -1.91 0.00 0.00 174.94 171.40 2k3g s GLU 64 N -0.81 0.29 -0.33 3.50 2.02 -1.19 -1.55 118.70 120.63 2k3g s GLU 64 Ca -0.08 0.24 -0.12 0.00 0.02 0.00 0.00 54.97 55.04 2k3g s GLU 64 Cb -0.06 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 2k3g s GLU 64 CO -0.00 -0.04 0.21 -2.00 0.02 0.00 0.00 175.26 173.44 2k3g s GLU 65 N -0.04 3.47 0.77 1.61 -6.30 -1.20 -1.96 118.70 115.05 2k3g s GLU 65 Ca -0.02 -0.65 -0.06 0.00 -2.50 0.00 0.00 54.97 51.74 2k3g s GLU 65 Cb -0.02 -3.71 0.12 0.00 0.00 0.00 0.00 34.13 30.52 2k3g s GLU 65 CO 0.01 -0.42 1.08 0.16 0.02 0.00 0.00 175.26 176.11 2k3g s ASP 66 N 1.69 4.20 0.47 -1.70 1.47 -1.05 -4.70 116.67 117.05 2k3g s ASP 66 Ca 0.06 0.06 0.32 0.00 1.18 0.00 0.00 52.55 54.16 2k3g s ASP 66 Cb -0.17 -0.45 1.71 0.00 -0.34 0.00 0.00 42.92 43.67 2k3g s ASP 66 CO 0.09 -1.98 1.98 -2.24 0.68 0.00 0.00 175.17 173.70 2k3g h ASP 67 N -0.81 0.00 0.45 2.11 3.04 -1.98 0.50 116.42 119.73 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 2k3g h ASP 67 CO 0.46 0.00 -0.74 0.00 -2.04 0.00 0.00 179.24 176.92 2k3g n GLN 68 N -2.63 0.12 -0.48 4.15 6.02 -1.26 -4.97 117.38 118.33 2k3g n GLN 68 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2k3g n GLN 68 Cb 0.06 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.77 2k3g n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k3g n GLY 69 N 1.44 0.79 3.87 1.08 0.00 0.17 -5.08 105.19 107.46 2k3g n GLY 69 Ca 0.04 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 2k3g n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k3g s GLU 70 N -1.02 3.62 -0.19 1.61 2.02 -1.26 -4.89 118.70 118.60 2k3g s GLU 70 Ca 0.00 0.06 -0.15 0.00 0.02 0.00 0.00 54.97 54.89 2k3g s GLU 70 Cb 0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2k3g s GLU 70 CO 0.00 0.72 0.37 0.95 0.02 0.00 0.00 175.26 177.32 2k3g s THR 71 N -1.11 5.23 -0.37 3.63 -4.23 -1.26 -2.54 115.64 114.99 2k3g s THR 71 Ca 0.21 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.22 2k3g s THR 71 Cb -0.14 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.00 2k3g s THR 71 CO 0.10 0.29 0.35 0.42 -0.54 0.00 0.00 174.62 175.24 2k3g s THR 72 N 1.05 5.18 -0.19 3.99 -4.23 -0.83 -4.89 115.64 115.73 2k3g s THR 72 Ca 0.18 -0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 2k3g s THR 72 Cb -0.14 -3.88 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 2k3g s THR 72 CO 0.07 -0.21 0.15 -0.76 -0.54 0.00 0.00 174.62 173.33 2k3g s LEU 73 N 1.94 4.23 -0.06 4.79 1.02 -1.26 -3.20 118.68 126.15 2k3g s LEU 73 Ca 0.10 0.28 -0.13 0.00 0.02 0.00 0.00 54.13 54.40 2k3g s LEU 73 Cb -0.17 -2.12 0.03 0.00 0.02 0.00 0.00 46.19 43.95 2k3g s LEU 73 CO 0.12 0.20 0.32 0.00 0.02 0.00 0.00 176.35 177.00 2k3g s ALA 74 N 0.22 -0.79 0.17 4.21 0.00 -1.01 -4.62 121.76 119.95 2k3g s ALA 74 Ca 0.10 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.57 2k3g s ALA 74 Cb -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2k3g s ALA 74 CO -0.01 -0.22 0.19 -1.54 0.00 0.00 0.00 175.76 174.19 2k3g s SER 75 N -0.71 0.14 0.00 0.00 1.04 -1.23 -1.67 113.70 111.27 2k3g s SER 75 Ca -0.08 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2k3g s SER 75 Cb -0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2k3g s SER 75 CO 0.03 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2k3g n GLY 76 N -0.21 0.73 3.76 7.32 0.00 -0.89 -4.17 105.19 111.72 2k3g n GLY 76 Ca -0.04 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 2k3g n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3g s MET 78 N 0.10 3.98 1.06 0.00 1.75 -0.77 -4.94 119.30 120.49 2k3g s MET 78 Ca 0.16 -0.32 -0.12 0.00 -1.25 0.00 0.00 55.69 54.16 2k3g s MET 78 Cb -0.13 -3.46 0.22 0.00 2.84 0.00 0.00 34.83 34.31 2k3g s MET 78 CO 0.04 0.05 1.07 -1.59 -0.65 0.00 0.00 175.02 173.94 2k3g s LYS 79 N 1.06 -0.09 0.51 4.11 -2.85 -1.26 -2.71 119.74 118.52 2k3g s LYS 79 Ca 0.06 0.72 -0.22 0.00 -1.00 0.00 0.00 55.97 55.54 2k3g s LYS 79 Cb -0.14 -1.66 -0.06 0.00 -2.06 0.00 0.00 37.83 33.91 2k3g s LYS 79 CO 0.04 -3.13 1.25 -0.47 0.10 0.00 0.00 175.35 173.14 2k3g s TYR 80 N -2.73 2.57 0.00 1.78 5.04 -1.26 -4.62 117.35 118.12 2k3g s TYR 80 Ca 0.67 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.76 2k3g s TYR 80 Cb -0.21 -3.57 0.00 0.00 0.35 0.00 0.00 41.96 38.53 2k3g s TYR 80 CO 0.61 -2.18 0.00 0.39 -1.34 0.00 0.00 175.55 173.03 2k3g n GLU 81 N -0.85 0.00 0.00 4.97 1.02 -1.26 -5.05 120.64 119.47 2k3g n GLU 81 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2k3g n GLU 81 Cb 0.47 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 2k3g n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k3g n GLY 82 N 1.35 2.92 3.68 0.62 0.00 -1.26 -5.11 105.19 107.40 2k3g n GLY 82 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2k3g n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3g s SER 83 N -0.08 6.90 0.06 1.61 0.01 -1.26 -4.92 113.70 116.01 2k3g s SER 83 Ca 0.00 1.99 -0.16 0.00 1.31 0.00 0.00 55.95 59.09 2k3g s SER 83 Cb 0.00 -2.55 -0.22 0.00 0.21 0.00 0.00 66.02 63.45 2k3g s SER 83 CO 0.00 -0.71 1.18 -2.24 0.41 0.00 0.00 173.24 171.88 2k3g h ASP 84 N 7.94 0.80 -0.00 2.44 2.03 -2.02 -3.41 116.42 124.20 2k3g h ASP 84 Ca -0.35 -0.73 -0.14 0.00 -0.73 0.00 0.00 57.03 55.08 2k3g h ASP 84 Cb 1.16 -0.24 -0.19 0.00 -0.83 0.00 0.00 39.33 39.23 2k3g h ASP 84 CO 0.91 1.43 -0.45 0.33 -1.03 0.00 0.00 179.24 180.43 2k3g n PHE 85 N -3.98 -0.00 -2.50 4.15 7.35 -1.26 -4.92 117.46 116.30 2k3g n PHE 85 Ca -0.10 -0.50 -0.40 0.00 -0.76 0.00 0.00 57.45 55.68 2k3g n PHE 85 Cb 0.80 0.36 -0.01 0.00 0.35 0.00 0.00 39.48 40.98 2k3g n PHE 85 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2k3g s GLN 86 N -0.00 3.69 -0.21 -4.13 -0.21 -1.26 -4.69 119.66 112.85 2k3g s GLN 86 Ca 0.07 -1.69 0.12 0.00 0.02 0.00 0.00 55.36 53.89 2k3g s GLN 86 Cb 0.08 -5.46 0.44 0.00 1.00 0.00 0.00 33.01 29.07 2k3g s GLN 86 CO -0.04 -2.50 1.20 0.00 -2.12 0.00 0.00 175.29 171.83 2k3g s LYS 88 N -2.97 3.47 -0.19 0.00 1.02 -1.26 -4.85 119.74 114.96 2k3g s LYS 88 Ca 0.40 0.53 -0.01 0.00 0.02 0.00 0.00 55.97 56.91 2k3g s LYS 88 Cb 0.38 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.53 2k3g s LYS 88 CO -0.05 -0.52 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.20 2k3g s ASP 89 N -4.18 3.57 0.45 2.83 1.01 -1.26 -5.12 116.67 113.96 2k3g s ASP 89 Ca 0.53 -0.54 -0.21 0.00 0.71 0.00 0.00 52.55 53.04 2k3g s ASP 89 Cb -0.11 -1.57 -0.10 0.00 1.01 0.00 0.00 42.92 42.15 2k3g s ASP 89 CO 0.51 0.01 0.97 -0.44 0.21 0.00 0.00 175.17 176.43 2k3g s SER 90 N 1.28 6.76 -1.01 0.27 0.01 -1.26 -4.95 113.70 114.80 2k3g s SER 90 Ca 0.04 1.74 -0.07 0.00 1.31 0.00 0.00 55.95 58.97 2k3g s SER 90 Cb -0.14 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 2k3g s SER 90 CO -0.08 -0.49 3.03 -0.81 0.41 0.00 0.00 173.24 175.31 2k3g n PRO 91 N -0.79 3.26 -2.69 12.44 -0.04 -1.26 -4.30 135.00 141.62 2k3g n PRO 91 Ca 0.08 -2.10 -0.07 0.00 -0.04 0.00 0.00 63.50 61.36 2k3g n PRO 91 Cb 0.54 -2.48 0.10 0.00 -0.04 0.00 0.00 33.50 31.61 2k3g n PRO 91 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2k3g n LYS 92 N 2.69 1.19 -1.14 0.54 2.85 -1.26 -5.13 118.16 117.89 2k3g n LYS 92 Ca 0.63 -2.13 0.00 0.00 -1.05 0.00 0.00 58.31 55.76 2k3g n LYS 92 Cb 0.46 -0.31 0.00 0.00 -0.65 0.00 0.00 35.03 34.53 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3g n ALA 93 N -0.48 0.00 -1.00 0.58 0.00 -1.26 -5.17 120.51 113.18 2k3g n ALA 93 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3g n ALA 93 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 2k3g n ALA 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k3g n GLN 94 N 0.00 -1.35 -0.86 0.00 1.13 -1.26 -4.94 117.38 110.10 2k3g n GLN 94 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 2k3g n GLN 94 Cb 0.00 0.00 0.17 0.00 0.11 0.00 0.00 30.24 30.52 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2k3g s LEU 95 N 0.00 2.19 0.72 1.08 2.96 -1.26 -4.89 118.68 119.48 2k3g s LEU 95 Ca 0.00 1.78 -0.14 0.00 -0.22 0.00 0.00 54.13 55.56 2k3g s LEU 95 Cb 0.00 -4.09 0.03 0.00 0.50 0.00 0.00 46.19 42.64 2k3g s LEU 95 CO 0.00 -3.15 1.14 -0.13 -1.32 0.00 0.00 176.35 172.90 2k3g s ARG 96 N -4.71 2.35 0.20 1.98 0.52 -1.26 -4.89 118.95 113.14 2k3g s ARG 96 Ca 0.66 1.50 -0.23 0.00 -0.52 0.00 0.00 55.73 57.14 2k3g s ARG 96 Cb -0.21 -1.88 0.05 0.00 0.52 0.00 0.00 34.95 33.42 2k3g s ARG 96 CO 0.59 -1.62 0.72 -0.98 0.02 0.00 0.00 175.30 174.03 2k3g s ARG 97 N -4.18 1.45 0.06 3.54 1.70 -1.26 -3.24 118.95 117.01 2k3g s ARG 97 Ca 0.69 -0.70 0.07 0.00 -0.47 0.00 0.00 55.73 55.31 2k3g s ARG 97 Cb -0.23 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 2k3g s ARG 97 CO 0.46 -0.65 -0.18 0.99 -1.08 0.00 0.00 175.30 174.83 2k3g s THR 98 N -3.71 1.48 0.04 4.99 2.01 -0.59 -5.01 115.64 114.85 2k3g s THR 98 Ca 0.07 -1.21 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 2k3g s THR 98 Cb -0.03 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2k3g s THR 98 CO -0.02 0.07 0.07 -0.51 -0.69 0.00 0.00 174.62 173.54 2k3g s ILE 99 N -0.91 0.15 -0.03 1.82 2.07 -1.26 -1.29 121.20 121.74 2k3g s ILE 99 Ca 0.05 -1.22 -0.10 0.00 -1.41 0.00 0.00 60.65 57.97 2k3g s ILE 99 Cb -0.09 -1.01 0.01 0.00 0.13 0.00 0.00 42.46 41.51 2k3g s ILE 99 CO 0.02 -0.67 0.22 -1.61 -1.91 0.00 0.00 174.94 170.99 2k3g s GLU 100 N -2.90 0.48 -0.01 3.50 2.02 -0.68 -5.02 118.70 116.09 2k3g s GLU 100 Ca -0.03 -0.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.81 2k3g s GLU 100 Cb 0.01 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.45 2k3g s GLU 100 CO -0.06 -0.11 0.09 0.00 0.02 0.00 0.00 175.26 175.20 2k3g n ARG 103 N 4.00 2.92 -4.03 0.00 0.63 -1.26 -1.75 116.66 117.16 2k3g n ARG 103 Ca -0.20 -3.73 -0.11 0.00 -0.92 0.00 0.00 57.85 52.89 2k3g n ARG 103 Cb 0.57 -2.27 -0.11 0.00 0.45 0.00 0.00 32.46 31.11 2k3g n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2k3g s THR 104 N -5.14 0.34 0.23 5.15 -4.23 -1.26 -5.03 115.64 105.69 2k3g s THR 104 Ca 0.52 -1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 59.65 2k3g s THR 104 Cb 0.44 -0.55 -0.11 0.00 1.34 0.00 0.00 72.50 73.62 2k3g s THR 104 CO -0.31 -0.49 1.59 0.54 -0.54 0.00 0.00 174.62 175.41 2k3g s ASN 105 N -1.66 6.49 -1.13 3.99 4.22 -1.26 -1.75 114.94 123.85 2k3g s ASN 105 Ca -0.11 2.77 0.00 0.00 -2.14 0.00 0.00 52.86 53.39 2k3g s ASN 105 Cb -0.08 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.83 2k3g s ASN 105 CO -0.01 -0.86 0.00 0.18 -2.04 0.00 0.00 177.10 174.37 2k3g n LEU 106 N 3.18 -1.10 0.30 3.54 4.77 -0.76 -4.82 117.00 122.10 2k3g n LEU 106 Ca 0.11 0.22 0.17 0.00 -0.03 0.00 0.00 56.01 56.48 2k3g n LEU 106 Cb 0.38 -2.10 0.91 0.00 -2.33 0.00 0.00 43.42 40.28 2k3g n LEU 106 CO 0.62 -0.26 1.08 0.00 -1.33 0.00 0.00 177.39 177.51 2k3g h ASN 108 N 0.00 0.00 -0.84 0.00 4.21 -1.88 -3.31 115.58 113.75 2k3g h ASN 108 Ca -0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2k3g h ASN 108 Cb 0.17 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.33 2k3g h ASN 108 CO 0.01 0.76 0.41 -0.61 -1.29 0.00 0.00 177.43 176.70 2k3g h GLN 109 N 0.00 1.22 -0.64 0.81 4.15 -1.75 -1.82 115.11 117.08 2k3g h GLN 109 Ca -0.01 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2k3g h GLN 109 Cb 1.36 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2k3g h GLN 109 CO 0.10 0.93 0.00 0.66 -1.93 0.00 0.00 178.83 178.59 2k3g n TYR 110 N -4.30 1.67 -3.81 3.99 4.01 -1.26 -4.89 117.16 112.57 2k3g n TYR 110 Ca 0.08 -0.64 -0.37 0.00 -0.16 0.00 0.00 57.90 56.81 2k3g n TYR 110 Cb 0.14 -0.32 -0.13 0.00 -0.31 0.00 0.00 39.34 38.72 2k3g n TYR 110 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2k3g s LEU 111 N -2.10 4.25 -0.27 7.72 2.96 -0.69 -5.08 118.68 125.48 2k3g s LEU 111 Ca 0.53 -1.28 -0.13 0.00 -0.22 0.00 0.00 54.13 53.03 2k3g s LEU 111 Cb 0.36 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 2k3g s LEU 111 CO 0.23 -0.32 0.27 -1.58 -1.32 0.00 0.00 176.35 173.63 2k3g s GLN 112 N 1.32 4.00 0.34 1.98 0.74 -1.26 -4.94 119.66 121.84 2k3g s GLN 112 Ca -0.02 -0.14 -0.28 0.00 0.05 0.00 0.00 55.36 54.97 2k3g s GLN 112 Cb -0.20 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.18 2k3g s GLN 112 CO 0.01 -0.18 1.22 -1.25 -0.55 0.00 0.00 175.29 174.54 2k3g s PRO 113 N 1.78 4.34 -0.01 1.67 0.04 -1.26 -5.05 135.00 136.51 2k3g s PRO 113 Ca 0.11 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2k3g s PRO 113 Cb -0.16 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.40 2k3g s PRO 113 CO 0.10 -0.13 0.00 0.95 0.04 0.00 0.00 177.00 177.95 2k3g s THR 114 N -1.21 0.06 0.63 1.26 -4.23 -1.26 -5.05 115.64 105.83 2k3g s THR 114 Ca 0.50 0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 2k3g s THR 114 Cb -0.36 -0.11 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 2k3g s THR 114 CO 0.47 0.06 1.09 -0.76 -0.54 0.00 0.00 174.62 174.93 2k3g s LEU 115 N 0.43 3.42 0.69 4.79 1.43 -1.26 -4.91 118.68 123.26 2k3g s LEU 115 Ca -0.04 1.91 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 2k3g s LEU 115 Cb -0.06 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.64 2k3g s LEU 115 CO -0.01 -1.44 1.22 -2.84 0.23 0.00 0.00 176.35 173.51 2k3g s PRO 116 N -4.12 2.39 0.19 1.29 0.02 -1.26 -4.93 135.00 128.58 2k3g s PRO 116 Ca 0.65 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 2k3g s PRO 116 Cb -0.18 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 2k3g s PRO 116 CO 0.40 -1.66 1.40 -1.25 -0.33 0.00 0.00 177.00 175.56 2k3g s PRO 117 N -3.71 4.32 0.73 5.54 0.04 -1.26 -5.01 135.00 135.65 2k3g s PRO 117 Ca 0.76 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.86 2k3g s PRO 117 Cb -0.31 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.09 2k3g s PRO 117 CO 0.42 -0.38 1.11 0.08 0.04 0.00 0.00 177.00 178.26 2k3g s VAL 118 N 0.42 3.03 0.19 -0.36 1.01 -1.26 -5.05 120.40 118.38 2k3g s VAL 118 Ca 0.61 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 2k3g s VAL 118 Cb -0.39 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 2k3g s VAL 118 CO 0.37 -0.42 0.63 0.54 0.00 0.00 0.00 175.10 176.22 2k3g s VAL 119 N -3.40 4.73 -0.13 2.92 0.11 -1.26 -5.05 120.40 118.31 2k3g s VAL 119 Ca 0.59 1.01 -0.20 0.00 -2.93 0.00 0.00 61.98 60.45 2k3g s VAL 119 Cb -0.11 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 2k3g s VAL 119 CO 0.50 0.19 0.59 -0.63 -3.33 0.00 0.00 175.10 172.42 2k3g s ILE 120 N -1.53 5.09 -0.01 7.04 1.01 -1.26 -4.96 121.20 126.58 2k3g s ILE 120 Ca 0.41 1.17 -0.05 0.00 0.00 0.00 0.00 60.65 62.19 2k3g s ILE 120 Cb -0.15 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2k3g s ILE 120 CO 0.20 0.23 -0.09 0.61 0.00 0.00 0.00 174.94 175.90 2k3g n GLY 121 N 3.40 -0.20 3.46 6.18 0.00 -1.26 -5.05 105.19 111.73 2k3g n GLY 121 Ca -0.04 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2k3g n GLY 121 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k3g n PRO 122 N -3.37 -1.88 -2.73 1.61 -0.02 -1.26 -4.99 135.00 122.36 2k3g n PRO 122 Ca -0.04 -0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 60.62 2k3g n PRO 122 Cb 0.13 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2k3g n PRO 122 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2k3g s PHE 123 N -2.41 3.43 0.57 6.00 0.08 -1.26 -5.04 117.98 119.35 2k3g s PHE 123 Ca 0.65 1.28 -0.18 0.00 0.12 0.00 0.00 56.93 58.80 2k3g s PHE 123 Cb -0.22 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 2k3g s PHE 123 CO 0.64 -0.17 1.09 -0.06 -0.10 0.00 0.00 175.22 176.63 2k3g s PHE 124 N -2.38 2.77 0.06 0.36 0.40 -1.26 -4.97 117.98 112.96 2k3g s PHE 124 Ca 0.55 1.55 -0.00 0.00 -0.60 0.00 0.00 56.93 58.43 2k3g s PHE 124 Cb -0.10 -3.17 -0.26 0.00 0.51 0.00 0.00 43.02 40.00 2k3g s PHE 124 CO 0.27 -1.39 1.07 -0.44 0.70 0.00 0.00 175.22 175.44 2k3g h ASP 125 N 0.81 0.28 -2.82 1.36 5.19 -2.06 -3.49 116.42 115.69 2k3g h ASP 125 Ca -0.48 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 2k3g h ASP 125 Cb 1.24 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2k3g h ASP 125 CO 0.57 1.27 0.00 0.61 -3.12 0.00 0.00 179.24 178.56 2k3g n GLY 126 N 1.52 0.89 3.88 2.75 0.00 -1.26 -5.06 105.19 107.90 2k3g n GLY 126 Ca -0.09 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 2k3g n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3g s SER 127 N -2.96 5.54 0.06 1.61 1.04 -1.26 -5.05 113.70 112.69 2k3g s SER 127 Ca 0.00 1.20 -0.19 0.00 0.48 0.00 0.00 55.95 57.44 2k3g s SER 127 Cb 0.00 -2.04 -0.07 0.00 0.10 0.00 0.00 66.02 64.01 2k3g s SER 127 CO 0.00 -1.29 0.55 -0.63 0.98 0.00 0.00 173.24 172.85 2k3g s ILE 128 N -3.31 4.78 0.00 -1.02 1.01 -1.26 -5.30 121.20 116.09 2k3g s ILE 128 Ca 0.58 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.40 2k3g s ILE 128 Cb -0.11 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2k3g s ILE 128 CO 0.52 0.56 0.00 -1.14 0.00 0.00 0.00 174.94 174.88