#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 2.68 -1.33 1.61 -0.02 -1.26 -4.88 135.00 131.80 2k3g n PRO 29 Ca 0.00 0.98 -0.24 0.00 -2.02 0.00 0.00 63.50 62.22 2k3g n PRO 29 Cb 0.00 -2.91 -0.03 0.00 -0.02 0.00 0.00 33.50 30.54 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 7.29 2.25 -1.35 -0.52 1.02 -1.26 -4.81 120.64 123.26 2k3g n GLU 30 Ca 0.21 -2.15 -0.39 0.00 -0.02 0.00 0.00 57.16 54.81 2k3g n GLU 30 Cb 0.38 -2.01 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 2k3g n GLU 30 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2k3g n ASP 31 N 0.72 7.96 -2.83 1.62 5.75 -1.26 -4.66 116.55 123.85 2k3g n ASP 31 Ca 0.44 -2.60 -0.34 0.00 -0.01 0.00 0.00 54.79 52.28 2k3g n ASP 31 Cb 0.57 -1.56 0.02 0.00 -1.03 0.00 0.00 41.12 39.12 2k3g n ASP 31 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2k3g n THR 32 N 3.82 3.34 -2.55 2.12 -1.04 -1.26 -5.04 114.28 113.67 2k3g n THR 32 Ca 0.74 -4.79 -0.33 0.00 -2.04 0.00 0.00 64.05 57.63 2k3g n THR 32 Cb 0.25 -1.29 -0.04 0.00 -1.82 0.00 0.00 70.33 67.43 2k3g n THR 32 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k3g s LEU 33 N -3.86 3.81 0.01 -4.42 1.43 -1.26 -4.85 118.68 109.53 2k3g s LEU 33 Ca 0.49 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 55.10 2k3g s LEU 33 Cb 0.39 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.99 2k3g s LEU 33 CO -0.29 -0.69 1.75 -2.84 0.23 0.00 0.00 176.35 174.51 2k3g s PRO 34 N -3.40 4.17 -0.41 1.29 0.02 -1.26 -4.61 135.00 130.79 2k3g s PRO 34 Ca 0.64 2.35 0.09 0.00 0.02 0.00 0.00 61.00 64.10 2k3g s PRO 34 Cb -0.14 -3.94 0.37 0.00 0.02 0.00 0.00 34.50 30.82 2k3g s PRO 34 CO 0.21 -0.85 1.24 1.97 -0.33 0.00 0.00 177.00 179.24 2k3g n PHE 35 N 6.85 -2.33 -3.37 6.54 -1.74 -1.25 -5.01 117.46 117.15 2k3g n PHE 35 Ca 0.18 -2.10 -0.00 0.00 -0.56 0.00 0.00 57.45 54.97 2k3g n PHE 35 Cb 0.42 1.45 -0.03 0.00 1.52 0.00 0.00 39.48 42.83 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 -2.87 -1.17 -0.18 5.98 2.96 -1.22 -4.97 118.68 117.21 2k3g s LEU 36 Ca 0.23 1.04 -0.10 0.00 -0.22 0.00 0.00 54.13 55.08 2k3g s LEU 36 Cb 0.37 2.03 -0.05 0.00 0.50 0.00 0.00 46.19 49.04 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 4.03 -0.03 1.98 2.20 -1.26 -1.70 119.74 127.77 2k3g s LYS 37 Ca 0.10 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.59 2k3g s LYS 37 Cb -0.14 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 2k3g s LYS 37 CO -0.19 0.40 -0.21 0.00 -0.36 0.00 0.00 175.35 174.99 2k3g s TYR 39 N -0.67 3.75 -0.06 0.00 5.04 -1.26 -1.71 117.35 122.44 2k3g s TYR 39 Ca 0.11 1.53 0.04 0.00 -2.44 0.00 0.00 57.07 56.30 2k3g s TYR 39 Cb -0.10 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 2k3g s TYR 39 CO -0.00 0.39 -0.15 0.00 -1.34 0.00 0.00 175.55 174.44 2k3g s SER 41 N -0.54 2.62 0.00 0.00 1.04 -1.25 -4.87 113.70 110.70 2k3g s SER 41 Ca 0.07 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2k3g s SER 41 Cb -0.11 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.73 2k3g s SER 41 CO 0.01 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2k3g n GLY 42 N 2.36 1.28 3.33 7.32 0.00 -1.26 -2.62 105.19 115.59 2k3g n GLY 42 Ca -0.16 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 2.89 -0.01 1.61 5.65 -1.26 -5.06 115.29 119.11 2k3g s HIS 43 Ca 0.00 -0.82 0.01 0.00 0.25 0.00 0.00 55.06 54.49 2k3g s HIS 43 Cb 0.00 -1.98 0.01 0.00 -1.18 0.00 0.00 32.58 29.43 2k3g s HIS 43 CO 0.00 -0.39 -0.02 0.00 -0.65 0.00 0.00 174.74 173.68 2k3g s PRO 45 N 0.30 2.22 0.54 0.00 0.04 -1.26 -4.86 135.00 131.97 2k3g s PRO 45 Ca -0.03 1.96 0.21 0.00 0.04 0.00 0.00 61.00 63.18 2k3g s PRO 45 Cb -0.05 -1.82 1.45 0.00 0.04 0.00 0.00 34.50 34.12 2k3g s PRO 45 CO -0.01 -1.83 2.18 -0.44 0.04 0.00 0.00 177.00 176.95 2k3g h ASP 46 N 0.02 0.00 -0.41 6.66 3.32 -2.02 -1.18 116.42 122.81 2k3g h ASP 46 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2k3g h ASP 46 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2k3g h ASP 46 CO 0.51 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.13 2k3g n ASP 47 N -4.29 3.03 -4.87 6.45 5.68 -1.26 -4.97 116.55 116.32 2k3g n ASP 47 Ca -0.03 -2.24 -0.31 0.00 -0.50 0.00 0.00 54.79 51.72 2k3g n ASP 47 Cb 0.09 -0.43 0.03 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.68 2.92 -0.02 2.12 0.00 -0.45 -5.07 121.76 119.58 2k3g s ALA 48 Ca 0.31 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.15 2k3g s ALA 48 Cb 0.20 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 2k3g s ALA 48 CO 0.16 -0.98 -0.18 0.42 0.00 0.00 0.00 175.76 175.17 2k3g s ILE 49 N -3.24 1.47 -1.66 0.00 1.01 -1.11 -4.79 121.20 112.89 2k3g s ILE 49 Ca 0.57 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 2k3g s ILE 49 Cb -0.12 -1.24 0.15 0.00 0.01 0.00 0.00 42.46 41.27 2k3g s ILE 49 CO 0.53 0.42 0.38 -0.46 0.00 0.00 0.00 174.94 175.81 2k3g n ASN 50 N 2.78 -0.85 -3.79 3.58 6.94 -1.26 -0.28 115.26 122.38 2k3g n ASN 50 Ca -0.16 -1.18 -0.27 0.00 -0.02 0.00 0.00 54.58 52.96 2k3g n ASN 50 Cb 0.53 -1.49 0.04 0.00 -2.36 0.00 0.00 39.78 36.50 2k3g n ASN 50 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k3g n ASN 51 N -2.39 -4.37 -4.05 0.53 5.03 -1.26 -4.99 115.26 103.75 2k3g n ASN 51 Ca -0.03 -0.73 -0.07 0.00 0.87 0.00 0.00 54.58 54.62 2k3g n ASN 51 Cb 0.50 -4.20 -0.10 0.00 -1.02 0.00 0.00 39.78 34.96 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2k3g s THR 52 N -3.37 0.20 0.13 3.41 -4.23 0.62 -2.41 115.64 109.99 2k3g s THR 52 Ca 0.50 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2k3g s THR 52 Cb -0.25 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 2k3g s THR 52 CO 0.80 -0.90 0.08 0.00 -0.54 0.00 0.00 174.62 174.06 2k3g s ILE 54 N -4.03 3.77 0.03 0.00 1.01 -1.26 -1.56 121.20 119.16 2k3g s ILE 54 Ca 0.22 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2k3g s ILE 54 Cb 0.07 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 2k3g s ILE 54 CO 0.01 0.52 -0.04 0.28 0.00 0.00 0.00 174.94 175.71 2k3g s THR 55 N 0.11 0.24 -0.37 2.92 -1.32 -0.69 -4.99 115.64 111.53 2k3g s THR 55 Ca -0.02 -1.03 0.06 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 70.95 2k3g s THR 55 CO 0.03 -0.51 1.64 -0.46 -2.21 0.00 0.00 174.62 173.11 2k3g n ASN 56 N 1.43 3.33 0.00 8.08 0.23 -1.26 -3.40 115.26 123.67 2k3g n ASN 56 Ca -0.23 -3.74 0.00 0.00 -0.53 0.00 0.00 54.58 50.09 2k3g n ASN 56 Cb 0.55 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 2k3g n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3g n GLY 57 N -1.10 0.81 3.52 4.83 0.00 -1.24 -4.54 105.19 107.47 2k3g n GLY 57 Ca 0.45 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.34 0.62 0.01 1.61 3.76 -1.20 -4.91 115.29 115.52 2k3g s HIS 58 Ca 0.00 -0.94 -0.16 0.00 -0.15 0.00 0.00 55.06 53.81 2k3g s HIS 58 Cb 0.00 0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.68 2k3g s HIS 58 CO 0.00 -1.00 0.46 0.00 -0.85 0.00 0.00 174.74 173.35 2k3g s PHE 60 N -0.92 1.39 -0.12 0.00 -0.12 -1.09 -2.24 117.98 114.89 2k3g s PHE 60 Ca 0.25 -0.49 -0.15 0.00 -0.05 0.00 0.00 56.93 56.49 2k3g s PHE 60 Cb -0.17 -0.75 0.04 0.00 -0.63 0.00 0.00 43.02 41.50 2k3g s PHE 60 CO 0.15 0.12 0.39 0.00 -0.05 0.00 0.00 175.22 175.83 2k3g s ALA 61 N -1.61 -0.98 0.01 1.99 0.00 -0.95 -2.35 121.76 117.87 2k3g s ALA 61 Ca 0.04 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.93 2k3g s ALA 61 Cb -0.08 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2k3g s ALA 61 CO 0.03 -0.21 0.05 -1.50 0.00 0.00 0.00 175.76 174.12 2k3g s ILE 62 N -0.20 0.09 0.00 0.00 2.07 -0.67 -1.67 121.20 120.83 2k3g s ILE 62 Ca -0.04 -0.74 -0.01 0.00 -1.41 0.00 0.00 60.65 58.45 2k3g s ILE 62 Cb -0.03 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 2k3g s ILE 62 CO 0.02 -0.41 0.01 -0.51 -1.91 0.00 0.00 174.94 172.14 2k3g s ILE 63 N -1.29 0.06 -0.08 2.00 2.07 -0.60 -2.45 121.20 120.90 2k3g s ILE 63 Ca -0.14 -0.46 -0.14 0.00 -1.41 0.00 0.00 60.65 58.50 2k3g s ILE 63 Cb -0.08 -0.18 0.03 0.00 0.13 0.00 0.00 42.46 42.36 2k3g s ILE 63 CO 0.00 -0.25 0.35 -1.61 -1.91 0.00 0.00 174.94 171.52 2k3g s GLU 64 N -0.75 0.54 -0.30 3.50 2.02 -1.22 -1.99 118.70 120.51 2k3g s GLU 64 Ca -0.08 0.21 -0.11 0.00 0.02 0.00 0.00 54.97 55.01 2k3g s GLU 64 Cb -0.05 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 2k3g s GLU 64 CO -0.00 -0.11 0.18 -2.00 0.02 0.00 0.00 175.26 173.35 2k3g s GLU 65 N -0.47 3.67 0.78 1.61 -6.30 -1.17 -2.07 118.70 114.75 2k3g s GLU 65 Ca -0.06 -0.51 -0.07 0.00 -2.50 0.00 0.00 54.97 51.84 2k3g s GLU 65 Cb -0.04 -3.64 0.12 0.00 0.00 0.00 0.00 34.13 30.58 2k3g s GLU 65 CO 0.02 -0.30 1.08 0.16 0.02 0.00 0.00 175.26 176.25 2k3g s ASP 66 N 1.70 4.18 0.50 -1.70 1.47 -0.99 -4.81 116.67 117.03 2k3g s ASP 66 Ca 0.06 0.07 0.33 0.00 1.18 0.00 0.00 52.55 54.20 2k3g s ASP 66 Cb -0.16 -0.46 1.81 0.00 -0.34 0.00 0.00 42.92 43.77 2k3g s ASP 66 CO 0.09 -2.00 2.02 -2.24 0.68 0.00 0.00 175.17 173.72 2k3g h ASP 67 N -0.84 0.00 0.40 2.11 3.04 -1.98 0.06 116.42 119.21 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 -0.71 0.00 -2.04 0.00 0.00 179.24 176.95 2k3g n GLN 68 N -2.67 0.07 -0.46 4.15 6.02 -1.26 -4.97 117.38 118.25 2k3g n GLN 68 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k3g n GLN 68 Cb 0.06 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.79 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 1.47 0.79 3.86 1.08 0.00 0.01 -5.08 105.19 107.32 2k3g n GLY 69 Ca 0.04 -0.46 -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 -0.98 3.66 -0.20 1.61 2.02 -1.26 -4.88 118.70 118.66 2k3g s GLU 70 Ca 0.00 0.12 -0.15 0.00 0.02 0.00 0.00 54.97 54.95 2k3g s GLU 70 Cb 0.00 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 2k3g s GLU 70 CO 0.00 0.74 0.38 0.95 0.02 0.00 0.00 175.26 177.34 2k3g s THR 71 N -1.04 5.21 -0.38 3.63 -4.23 -1.26 -2.34 115.64 115.24 2k3g s THR 71 Ca 0.19 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.21 2k3g s THR 71 Cb -0.14 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.99 2k3g s THR 71 CO 0.08 0.26 0.35 0.42 -0.54 0.00 0.00 174.62 175.20 2k3g s THR 72 N 1.29 5.18 -0.21 3.99 -4.23 -0.88 -4.91 115.64 115.87 2k3g s THR 72 Ca 0.18 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 2k3g s THR 72 Cb -0.15 -3.89 -0.05 0.00 1.34 0.00 0.00 72.50 69.76 2k3g s THR 72 CO 0.08 -0.21 0.19 -0.76 -0.54 0.00 0.00 174.62 173.37 2k3g s LEU 73 N 1.95 4.17 -0.04 4.79 1.02 -1.26 -3.37 118.68 125.94 2k3g s LEU 73 Ca 0.10 0.24 -0.10 0.00 0.02 0.00 0.00 54.13 54.39 2k3g s LEU 73 Cb -0.17 -2.17 0.02 0.00 0.02 0.00 0.00 46.19 43.88 2k3g s LEU 73 CO 0.12 0.10 0.23 0.00 0.02 0.00 0.00 176.35 176.82 2k3g s ALA 74 N 0.73 -0.57 0.17 4.21 0.00 -1.02 -4.40 121.76 120.88 2k3g s ALA 74 Ca 0.10 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 2k3g s ALA 74 Cb -0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2k3g s ALA 74 CO 0.02 -0.19 0.19 -1.54 0.00 0.00 0.00 175.76 174.24 2k3g s SER 75 N -0.78 0.14 0.00 0.00 1.04 -1.08 -1.66 113.70 111.37 2k3g s SER 75 Ca -0.09 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2k3g s SER 75 Cb -0.05 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2k3g s SER 75 CO 0.02 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2k3g n GLY 76 N -0.20 -0.81 3.76 7.32 0.00 -0.99 -3.86 105.19 110.41 2k3g n GLY 76 Ca -0.04 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 4.01 0.99 0.00 1.75 -0.90 -4.95 119.30 120.29 2k3g s MET 78 Ca 0.16 -0.26 -0.12 0.00 -1.25 0.00 0.00 55.69 54.23 2k3g s MET 78 Cb -0.13 -3.61 0.18 0.00 2.84 0.00 0.00 34.83 34.11 2k3g s MET 78 CO 0.04 -0.10 1.08 -1.59 -0.65 0.00 0.00 175.02 173.81 2k3g s LYS 79 N 1.52 0.50 0.07 4.11 -2.85 -1.26 -3.21 119.74 118.62 2k3g s LYS 79 Ca 0.08 0.89 -0.31 0.00 -1.00 0.00 0.00 55.97 55.63 2k3g s LYS 79 Cb -0.15 -1.72 -0.08 0.00 -2.06 0.00 0.00 37.83 33.82 2k3g s LYS 79 CO 0.09 -2.78 1.64 1.52 0.10 0.00 0.00 175.35 175.92 2k3g s TYR 80 N -2.77 2.47 -0.10 1.78 -0.85 -1.26 -4.68 117.35 111.94 2k3g s TYR 80 Ca 0.66 0.35 0.05 0.00 -0.52 0.00 0.00 57.07 57.61 2k3g s TYR 80 Cb -0.21 -3.95 -0.10 0.00 0.38 0.00 0.00 41.96 38.09 2k3g s TYR 80 CO 0.59 -3.79 -0.03 0.39 -1.52 0.00 0.00 175.55 171.19 2k3g n GLU 81 N 5.51 1.51 0.00 -3.49 1.02 -1.26 -5.03 120.64 118.90 2k3g n GLU 81 Ca 0.16 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2k3g n GLU 81 Cb 0.41 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 2.66 3.10 3.64 0.62 0.00 -1.26 -5.02 105.19 108.93 2k3g n GLY 82 Ca -0.18 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 0.02 6.78 0.11 1.61 0.01 -1.26 -4.91 113.70 116.06 2k3g s SER 83 Ca 0.00 1.44 -0.00 0.00 1.31 0.00 0.00 55.95 58.70 2k3g s SER 83 Cb 0.00 -2.54 -0.20 0.00 0.21 0.00 0.00 66.02 63.50 2k3g s SER 83 CO 0.00 -0.95 1.23 0.44 0.41 0.00 0.00 173.24 174.38 2k3g h ASP 84 N 8.88 0.30 -0.04 2.44 3.32 -2.06 -3.29 116.42 125.97 2k3g h ASP 84 Ca -0.27 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2k3g h ASP 84 Cb 1.10 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2k3g h ASP 84 CO 1.00 1.19 0.00 2.22 -1.72 0.00 0.00 179.24 181.94 2k3g n PHE 85 N -3.53 0.04 -1.29 4.55 1.16 -1.26 -4.56 117.46 112.57 2k3g n PHE 85 Ca -0.05 -0.02 -0.38 0.00 -1.87 0.00 0.00 57.45 55.13 2k3g n PHE 85 Cb 0.95 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.79 2k3g n PHE 85 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 2k3g n GLN 86 N -0.54 2.57 -2.84 3.97 6.02 -1.24 -4.38 117.38 120.92 2k3g n GLN 86 Ca 0.15 -2.09 -0.11 0.00 -0.01 0.00 0.00 57.00 54.93 2k3g n GLN 86 Cb 0.12 -2.92 0.05 0.00 1.02 0.00 0.00 30.24 28.52 2k3g n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k3g s LYS 88 N -0.20 1.23 -0.27 0.00 2.20 -1.26 -4.96 119.74 116.49 2k3g s LYS 88 Ca 0.28 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 55.04 2k3g s LYS 88 Cb 0.28 0.51 -0.05 0.00 -1.51 0.00 0.00 37.83 37.06 2k3g s LYS 88 CO -0.10 -0.51 0.19 -0.51 -0.36 0.00 0.00 175.35 174.05 2k3g s ASP 89 N -2.83 6.06 0.35 1.43 1.01 -1.26 -5.07 116.67 116.35 2k3g s ASP 89 Ca 0.05 0.04 -0.26 0.00 0.71 0.00 0.00 52.55 53.09 2k3g s ASP 89 Cb 0.00 -2.12 -0.09 0.00 1.01 0.00 0.00 42.92 41.72 2k3g s ASP 89 CO -0.08 -0.02 1.03 -0.44 0.21 0.00 0.00 175.17 175.87 2k3g s SER 90 N 1.54 7.06 -1.41 0.27 0.01 -1.26 -4.92 113.70 114.98 2k3g s SER 90 Ca 0.07 2.04 -0.11 0.00 1.31 0.00 0.00 55.95 59.27 2k3g s SER 90 Cb -0.15 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 2k3g s SER 90 CO 0.09 -0.28 2.60 -0.81 0.41 0.00 0.00 173.24 175.25 2k3g n PRO 91 N 0.45 3.11 -2.70 12.44 -0.04 -1.26 -4.19 135.00 142.80 2k3g n PRO 91 Ca 0.03 -2.12 -0.04 0.00 -0.04 0.00 0.00 63.50 61.33 2k3g n PRO 91 Cb 0.48 -2.84 0.11 0.00 -0.04 0.00 0.00 33.50 31.21 2k3g n PRO 91 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k3g n LYS 92 N 4.40 1.35 -3.64 0.54 4.81 -1.26 -5.12 118.16 119.24 2k3g n LYS 92 Ca 0.65 -1.90 -0.15 0.00 -0.87 0.00 0.00 58.31 56.04 2k3g n LYS 92 Cb 0.25 -0.15 -0.07 0.00 0.02 0.00 0.00 35.03 35.08 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3g s ALA 93 N -0.69 -1.37 -0.89 3.14 0.00 -1.26 -5.09 121.76 115.60 2k3g s ALA 93 Ca 0.17 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2k3g s ALA 93 Cb 0.42 -0.20 0.30 0.00 0.00 0.00 0.00 23.12 23.63 2k3g s ALA 93 CO -0.09 -0.31 1.29 0.94 0.00 0.00 0.00 175.76 177.59 2k3g n GLN 94 N 1.48 3.99 -3.64 0.00 7.27 -1.26 -4.99 117.38 120.24 2k3g n GLN 94 Ca -0.18 -4.65 -0.16 0.00 0.07 0.00 0.00 57.00 52.08 2k3g n GLN 94 Cb 0.56 -2.40 -0.07 0.00 2.41 0.00 0.00 30.24 30.74 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2k3g s LEU 95 N -3.07 0.06 -0.24 1.69 2.96 -1.26 -5.15 118.68 113.68 2k3g s LEU 95 Ca 0.37 0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 54.58 2k3g s LEU 95 Cb 0.13 1.93 -0.05 0.00 0.50 0.00 0.00 46.19 48.70 2k3g s LEU 95 CO 0.01 -0.53 0.24 -0.13 -1.32 0.00 0.00 176.35 174.62 2k3g s ARG 96 N -1.24 4.08 0.19 1.98 0.52 -1.26 -5.06 118.95 118.16 2k3g s ARG 96 Ca -0.12 -0.13 -0.23 0.00 -0.52 0.00 0.00 55.73 54.73 2k3g s ARG 96 Cb -0.03 -3.56 0.05 0.00 0.52 0.00 0.00 34.95 31.94 2k3g s ARG 96 CO 0.07 -0.02 0.72 -0.98 0.02 0.00 0.00 175.30 175.11 2k3g s ARG 97 N 1.29 1.43 0.05 3.54 1.70 -1.26 -3.06 118.95 122.63 2k3g s ARG 97 Ca 0.11 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.72 2k3g s ARG 97 Cb -0.14 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 2k3g s ARG 97 CO 0.07 -0.64 -0.10 0.99 -1.08 0.00 0.00 175.30 174.53 2k3g s THR 98 N -3.70 0.75 0.02 4.99 2.01 -0.84 -4.94 115.64 113.92 2k3g s THR 98 Ca 0.07 -1.11 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 2k3g s THR 98 Cb -0.03 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2k3g s THR 98 CO -0.03 -0.29 0.06 -0.51 -0.69 0.00 0.00 174.62 173.16 2k3g s ILE 99 N -1.26 0.10 0.02 1.82 2.07 -1.26 -1.55 121.20 121.13 2k3g s ILE 99 Ca -0.06 -0.87 -0.07 0.00 -1.41 0.00 0.00 60.65 58.24 2k3g s ILE 99 Cb -0.10 -0.46 -0.00 0.00 0.13 0.00 0.00 42.46 42.03 2k3g s ILE 99 CO 0.01 -0.48 0.13 -1.61 -1.91 0.00 0.00 174.94 171.09 2k3g s GLU 100 N -1.66 0.53 0.01 3.50 0.41 -0.67 -4.97 118.70 115.86 2k3g s GLU 100 Ca -0.13 -0.51 -0.05 0.00 -0.41 0.00 0.00 54.97 53.87 2k3g s GLU 100 Cb -0.07 0.22 -0.01 0.00 -1.78 0.00 0.00 34.13 32.49 2k3g s GLU 100 CO -0.01 -0.13 0.08 0.00 -0.49 0.00 0.00 175.26 174.71 2k3g n ARG 103 N 3.61 2.99 -3.94 0.00 0.63 -1.26 -2.01 116.66 116.68 2k3g n ARG 103 Ca -0.18 -3.80 -0.10 0.00 -0.92 0.00 0.00 57.85 52.86 2k3g n ARG 103 Cb 0.57 -2.27 -0.10 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 -5.11 0.11 0.22 5.15 -4.23 -1.26 -5.04 115.64 105.48 2k3g s THR 104 Ca 0.53 -0.92 -0.31 0.00 -1.18 0.00 0.00 61.69 59.81 2k3g s THR 104 Cb 0.44 -0.50 -0.11 0.00 1.34 0.00 0.00 72.50 73.67 2k3g s THR 104 CO -0.25 -0.51 1.58 0.54 -0.54 0.00 0.00 174.62 175.44 2k3g s ASN 105 N -1.64 6.51 -1.15 3.99 2.20 -1.26 -1.78 114.94 121.81 2k3g s ASN 105 Ca -0.12 2.76 0.00 0.00 -0.94 0.00 0.00 52.86 54.56 2k3g s ASN 105 Cb -0.07 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.57 2k3g s ASN 105 CO -0.01 -0.85 0.00 0.18 -2.94 0.00 0.00 177.10 173.48 2k3g n LEU 106 N 3.15 -1.13 0.28 3.54 4.77 -0.73 -4.83 117.00 122.05 2k3g n LEU 106 Ca 0.11 0.21 0.14 0.00 -0.03 0.00 0.00 56.01 56.45 2k3g n LEU 106 Cb 0.38 -2.14 0.82 0.00 -2.33 0.00 0.00 43.42 40.15 2k3g n LEU 106 CO 0.62 -0.25 1.04 0.00 -1.33 0.00 0.00 177.39 177.47 2k3g h ASN 108 N 0.00 0.00 -0.84 0.00 4.21 -1.88 -3.31 115.58 113.76 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 0.19 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.35 2k3g h ASN 108 CO 0.01 0.60 0.41 -0.61 -1.29 0.00 0.00 177.43 176.55 2k3g h GLN 109 N 0.00 1.21 -0.60 0.81 4.15 -1.78 -1.93 115.11 116.96 2k3g h GLN 109 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2k3g h GLN 109 Cb 1.09 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2k3g h GLN 109 CO 0.08 0.92 0.00 0.66 -1.93 0.00 0.00 178.83 178.56 2k3g n TYR 110 N -4.31 1.58 -3.92 3.99 4.01 -1.25 -4.89 117.16 112.37 2k3g n TYR 110 Ca 0.08 -0.65 -0.35 0.00 -0.16 0.00 0.00 57.90 56.82 2k3g n TYR 110 Cb 0.13 -0.31 -0.14 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 -2.11 3.98 -0.27 7.72 2.96 -0.73 -5.08 118.68 125.15 2k3g s LEU 111 Ca 0.51 -1.37 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 2k3g s LEU 111 Cb 0.35 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 2k3g s LEU 111 CO 0.21 -0.28 0.17 -1.58 -1.32 0.00 0.00 176.35 173.56 2k3g s GLN 112 N 1.22 3.94 0.33 1.98 0.74 -1.26 -4.93 119.66 121.67 2k3g s GLN 112 Ca -0.04 -0.33 -0.29 0.00 0.05 0.00 0.00 55.36 54.75 2k3g s GLN 112 Cb -0.20 -3.61 -0.10 0.00 1.10 0.00 0.00 33.01 30.20 2k3g s GLN 112 CO -0.02 -0.14 1.28 -2.14 -0.55 0.00 0.00 175.29 173.71 2k3g s PRO 113 N 1.64 4.39 0.02 1.67 0.02 -1.26 -5.05 135.00 136.43 2k3g s PRO 113 Ca 0.07 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2k3g s PRO 113 Cb -0.16 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 2k3g s PRO 113 CO 0.09 -0.14 -0.04 0.95 -0.33 0.00 0.00 177.00 177.54 2k3g s THR 114 N -1.15 0.19 0.64 0.99 -4.23 -1.26 -5.00 115.64 105.83 2k3g s THR 114 Ca 0.48 -0.91 -0.15 0.00 -1.18 0.00 0.00 61.69 59.93 2k3g s THR 114 Cb -0.39 -0.32 -0.01 0.00 1.34 0.00 0.00 72.50 73.12 2k3g s THR 114 CO 0.51 -0.46 1.09 -0.76 -0.54 0.00 0.00 174.62 174.47 2k3g s LEU 115 N -1.43 3.42 0.48 4.79 1.43 -1.26 -4.82 118.68 121.28 2k3g s LEU 115 Ca -0.14 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 54.67 2k3g s LEU 115 Cb -0.10 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.51 2k3g s LEU 115 CO -0.01 -1.48 1.20 -2.16 0.23 0.00 0.00 176.35 174.13 2k3g s PRO 116 N -4.11 3.62 0.58 1.29 0.04 -1.26 -4.99 135.00 130.17 2k3g s PRO 116 Ca 0.66 1.85 -0.18 0.00 0.04 0.00 0.00 61.00 63.37 2k3g s PRO 116 Cb -0.19 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 2k3g s PRO 116 CO 0.40 -0.68 1.11 -1.25 0.04 0.00 0.00 177.00 176.62 2k3g s PRO 117 N -2.76 3.21 0.74 0.56 0.04 -1.26 -5.04 135.00 130.48 2k3g s PRO 117 Ca 0.65 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2k3g s PRO 117 Cb -0.31 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2k3g s PRO 117 CO 0.37 -0.94 1.11 0.08 0.04 0.00 0.00 177.00 177.65 2k3g s VAL 118 N -2.02 3.15 -0.09 -0.36 1.01 -1.26 -5.03 120.40 115.80 2k3g s VAL 118 Ca 0.70 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 2k3g s VAL 118 Cb -0.22 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2k3g s VAL 118 CO 0.32 -0.49 0.65 -0.69 0.00 0.00 0.00 175.10 174.89 2k3g s VAL 119 N -3.38 5.07 -0.21 2.92 1.01 -1.26 -5.05 120.40 119.50 2k3g s VAL 119 Ca 0.59 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 63.81 2k3g s VAL 119 Cb -0.11 -3.99 0.09 0.00 0.00 0.00 0.00 36.38 32.37 2k3g s VAL 119 CO 0.52 0.24 0.47 -0.51 0.00 0.00 0.00 175.10 175.82 2k3g s ILE 120 N 0.93 -0.57 0.00 2.22 2.07 -1.26 -5.11 121.20 119.48 2k3g s ILE 120 Ca 0.34 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 2k3g s ILE 120 Cb -0.17 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.69 2k3g s ILE 120 CO 0.15 0.05 0.14 0.61 -1.91 0.00 0.00 174.94 173.99 2k3g n GLY 121 N 5.16 -0.98 3.71 1.50 0.00 -1.26 -4.81 105.19 108.50 2k3g n GLY 121 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.23 0.88 -3.63 1.61 -0.02 -1.26 -5.04 135.00 127.31 2k3g n PRO 122 Ca 0.00 0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.69 2k3g n PRO 122 Cb 0.00 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 30.93 2k3g n PRO 122 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2k3g s PHE 123 N -1.56 -0.45 -0.32 6.00 -0.71 -1.26 -5.14 117.98 114.54 2k3g s PHE 123 Ca 0.80 0.77 0.04 0.00 -1.04 0.00 0.00 56.93 57.51 2k3g s PHE 123 Cb -0.36 0.26 0.18 0.00 -1.21 0.00 0.00 43.02 41.88 2k3g s PHE 123 CO 0.43 -0.50 0.50 -0.06 -1.34 0.00 0.00 175.22 174.25 2k3g s PHE 124 N -1.17 -1.31 0.27 3.49 0.08 -1.26 -5.01 117.98 113.07 2k3g s PHE 124 Ca -0.12 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.32 2k3g s PHE 124 Cb -0.02 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 2k3g s PHE 124 CO 0.07 -1.05 0.00 -3.47 -0.10 0.00 0.00 175.22 170.67 2k3g n ASP 125 N 5.06 -2.08 -4.91 1.36 2.03 -1.26 -5.14 116.55 111.61 2k3g n ASP 125 Ca 0.05 0.51 -0.28 0.00 0.52 0.00 0.00 54.79 55.59 2k3g n ASP 125 Cb 0.52 2.10 0.08 0.00 -0.72 0.00 0.00 41.12 43.10 2k3g n ASP 125 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k3g s GLY 126 N -2.69 1.63 0.18 0.27 0.00 -1.26 -5.10 107.32 100.35 2k3g s GLY 126 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 2k3g s GLY 126 CO 0.00 -0.30 0.50 -1.35 0.00 0.00 0.00 173.10 171.96 2k3g s SER 127 N -4.54 -0.27 -0.07 1.64 1.04 -1.26 -5.15 113.70 105.09 2k3g s SER 127 Ca 0.61 -0.43 -0.19 0.00 0.48 0.00 0.00 55.95 56.41 2k3g s SER 127 Cb -0.11 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2k3g s SER 127 CO 0.47 -1.01 0.54 -0.63 0.98 0.00 0.00 173.24 173.59 2k3g s ILE 128 N -3.86 5.08 -2.50 -1.02 -1.09 -1.26 -5.32 121.20 111.23 2k3g s ILE 128 Ca 0.08 1.10 0.28 0.00 -2.23 0.00 0.00 60.65 59.88 2k3g s ILE 128 Cb -0.00 -3.88 0.55 0.00 -1.58 0.00 0.00 42.46 37.55 2k3g s ILE 128 CO -0.05 0.36 1.75 -1.14 -1.23 0.00 0.00 174.94 174.63