#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 2.66 -1.31 1.61 -0.02 -1.26 -4.88 135.00 131.80 2k3g n PRO 29 Ca 0.00 0.97 -0.24 0.00 -2.02 0.00 0.00 63.50 62.22 2k3g n PRO 29 Cb 0.00 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 30.55 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 7.27 2.23 -1.37 -0.52 1.02 -1.26 -4.81 120.64 123.20 2k3g n GLU 30 Ca 0.21 -2.12 -0.39 0.00 -0.02 0.00 0.00 57.16 54.83 2k3g n GLU 30 Cb 0.37 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 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 8.17 -3.79 1.62 5.75 -1.26 -4.81 116.55 122.95 2k3g n ASP 31 Ca 0.44 -2.61 -0.27 0.00 -0.01 0.00 0.00 54.79 52.34 2k3g n ASP 31 Cb 0.57 -1.57 -0.17 0.00 -1.03 0.00 0.00 41.12 38.92 2k3g n ASP 31 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2k3g s THR 32 N 2.26 0.70 -0.09 2.12 2.01 -1.26 -5.11 115.64 116.27 2k3g s THR 32 Ca 0.67 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 2k3g s THR 32 Cb 0.18 -1.07 0.05 0.00 0.01 0.00 0.00 72.50 71.66 2k3g s THR 32 CO -0.06 -0.07 0.14 -0.76 -0.69 0.00 0.00 174.62 173.18 2k3g s LEU 33 N 1.79 -0.01 0.46 4.42 1.43 -1.26 -5.14 118.68 120.38 2k3g s LEU 33 Ca -0.00 0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.04 2k3g s LEU 33 Cb -0.16 0.16 -0.08 0.00 0.03 0.00 0.00 46.19 46.14 2k3g s LEU 33 CO -0.07 -0.26 1.42 -2.84 0.23 0.00 0.00 176.35 174.83 2k3g s PRO 34 N 2.26 3.60 -0.34 1.29 0.02 -1.26 -4.96 135.00 135.61 2k3g s PRO 34 Ca 0.04 2.41 0.15 0.00 0.02 0.00 0.00 61.00 63.61 2k3g s PRO 34 Cb -0.12 -2.60 0.44 0.00 0.02 0.00 0.00 34.50 32.23 2k3g s PRO 34 CO -0.06 -0.88 1.21 1.97 -0.33 0.00 0.00 177.00 178.92 2k3g n PHE 35 N -0.31 -0.57 -3.25 6.54 -1.74 -1.25 -5.01 117.46 111.87 2k3g n PHE 35 Ca 0.06 -2.22 0.03 0.00 -0.56 0.00 0.00 57.45 54.76 2k3g n PHE 35 Cb 0.42 0.63 -0.02 0.00 1.52 0.00 0.00 39.48 42.03 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 -3.43 -1.26 -0.16 5.98 2.96 -1.23 -4.97 118.68 116.57 2k3g s LEU 36 Ca 0.22 0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 55.02 2k3g s LEU 36 Cb 0.41 2.13 -0.05 0.00 0.50 0.00 0.00 46.19 49.19 2k3g s LEU 36 CO -0.04 -0.24 0.15 -0.75 -1.32 0.00 0.00 176.35 174.14 2k3g s LYS 37 N 2.86 3.83 -0.01 1.98 2.20 -1.26 -1.79 119.74 127.55 2k3g s LYS 37 Ca 0.14 -0.15 0.08 0.00 -0.36 0.00 0.00 55.97 55.67 2k3g s LYS 37 Cb -0.14 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2k3g s LYS 37 CO -0.20 0.53 -0.25 0.00 -0.36 0.00 0.00 175.35 175.08 2k3g s TYR 39 N -0.60 3.75 -0.07 0.00 5.04 -1.26 -1.74 117.35 122.47 2k3g s TYR 39 Ca 0.10 1.63 0.04 0.00 -2.44 0.00 0.00 57.07 56.39 2k3g s TYR 39 Cb -0.10 -2.79 -0.02 0.00 0.35 0.00 0.00 41.96 39.40 2k3g s TYR 39 CO -0.01 0.34 -0.17 0.00 -1.34 0.00 0.00 175.55 174.37 2k3g s SER 41 N -0.39 2.62 0.00 0.00 0.01 -1.24 -4.86 113.70 109.84 2k3g s SER 41 Ca 0.04 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2k3g s SER 41 Cb -0.12 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2k3g s SER 41 CO 0.02 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2k3g n GLY 42 N 2.67 1.50 3.31 3.44 0.00 -1.26 -2.83 105.19 112.02 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 2.91 -0.01 1.61 5.65 -1.26 -5.09 115.29 119.10 2k3g s HIS 43 Ca 0.00 -0.91 0.01 0.00 0.25 0.00 0.00 55.06 54.40 2k3g s HIS 43 Cb 0.00 -2.02 0.01 0.00 -1.18 0.00 0.00 32.58 29.39 2k3g s HIS 43 CO 0.00 -0.47 -0.01 0.00 -0.65 0.00 0.00 174.74 173.60 2k3g s PRO 45 N 0.31 2.25 0.55 0.00 0.04 -1.26 -4.87 135.00 132.02 2k3g s PRO 45 Ca -0.03 1.95 0.22 0.00 0.04 0.00 0.00 61.00 63.18 2k3g s PRO 45 Cb -0.05 -1.82 1.51 0.00 0.04 0.00 0.00 34.50 34.17 2k3g s PRO 45 CO -0.01 -1.80 2.19 -0.44 0.04 0.00 0.00 177.00 176.98 2k3g h ASP 46 N 0.05 0.00 -0.41 6.66 5.19 -2.02 -1.14 116.42 124.74 2k3g h ASP 46 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2k3g h ASP 46 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 2k3g h ASP 46 CO 0.51 0.01 0.00 -0.90 -3.12 0.00 0.00 179.24 175.74 2k3g n ASP 47 N -4.21 3.05 -4.86 6.45 5.75 -1.26 -4.97 116.55 116.50 2k3g n ASP 47 Ca -0.03 -2.24 -0.31 0.00 -0.01 0.00 0.00 54.79 52.20 2k3g n ASP 47 Cb 0.10 -0.44 0.04 0.00 -1.03 0.00 0.00 41.12 39.79 2k3g n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3g s ALA 48 N -1.69 2.89 -0.04 2.12 0.00 -0.43 -5.07 121.76 119.54 2k3g s ALA 48 Ca 0.32 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.16 2k3g s ALA 48 Cb 0.20 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2k3g s ALA 48 CO 0.16 -1.02 -0.20 0.42 0.00 0.00 0.00 175.76 175.12 2k3g s ILE 49 N -3.22 1.60 -1.60 0.00 1.01 -1.12 -4.76 121.20 113.10 2k3g s ILE 49 Ca 0.57 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 2k3g s ILE 49 Cb -0.12 -1.35 0.15 0.00 0.01 0.00 0.00 42.46 41.15 2k3g s ILE 49 CO 0.53 0.45 0.37 -0.46 0.00 0.00 0.00 174.94 175.84 2k3g n ASN 50 N 2.94 -0.86 -3.76 3.58 0.23 -1.26 -0.31 115.26 115.82 2k3g n ASN 50 Ca -0.17 -1.13 -0.26 0.00 -0.53 0.00 0.00 54.58 52.49 2k3g n ASN 50 Cb 0.53 -1.43 0.04 0.00 -2.08 0.00 0.00 39.78 36.84 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 -2.26 -3.98 -4.11 0.53 5.03 -1.26 -5.00 115.26 104.20 2k3g n ASN 51 Ca -0.02 -0.73 -0.08 0.00 0.87 0.00 0.00 54.58 54.62 2k3g n ASN 51 Cb 0.47 -4.27 -0.10 0.00 -1.02 0.00 0.00 39.78 34.87 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 -3.40 0.23 0.12 3.41 -4.23 0.58 -2.72 115.64 109.63 2k3g s THR 52 Ca 0.43 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2k3g s THR 52 Cb -0.21 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2k3g s THR 52 CO 0.80 -0.87 -0.00 0.00 -0.54 0.00 0.00 174.62 174.01 2k3g s ILE 54 N -3.81 3.47 0.03 0.00 1.01 -1.26 -1.49 121.20 119.14 2k3g s ILE 54 Ca 0.18 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2k3g s ILE 54 Cb 0.07 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 2k3g s ILE 54 CO -0.01 0.53 0.02 0.28 0.00 0.00 0.00 174.94 175.75 2k3g s THR 55 N 0.14 0.14 -0.34 2.92 -1.32 -0.74 -5.02 115.64 111.43 2k3g s THR 55 Ca -0.04 -1.16 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 2k3g s THR 55 Cb -0.14 -0.74 0.58 0.00 -1.51 0.00 0.00 72.50 70.68 2k3g s THR 55 CO 0.04 -0.64 1.64 -0.46 -2.21 0.00 0.00 174.62 172.99 2k3g n ASN 56 N 1.01 3.18 0.00 8.08 0.23 -1.26 -3.54 115.26 122.95 2k3g n ASN 56 Ca -0.20 -3.63 0.00 0.00 -0.53 0.00 0.00 54.58 50.22 2k3g n ASN 56 Cb 0.57 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 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 -1.01 0.85 3.56 4.83 0.00 -1.21 -4.49 105.19 107.71 2k3g n GLY 57 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 0.66 0.47 -0.03 1.61 3.76 -1.02 -4.86 115.29 115.88 2k3g s HIS 58 Ca 0.00 -0.82 -0.14 0.00 -0.15 0.00 0.00 55.06 53.95 2k3g s HIS 58 Cb 0.00 0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.76 2k3g s HIS 58 CO 0.00 -0.99 0.36 0.00 -0.85 0.00 0.00 174.74 173.27 2k3g s PHE 60 N -0.97 1.15 -0.18 0.00 -0.12 -1.13 -2.14 117.98 114.60 2k3g s PHE 60 Ca 0.22 -0.57 -0.14 0.00 -0.05 0.00 0.00 56.93 56.39 2k3g s PHE 60 Cb -0.16 -0.63 0.05 0.00 -0.63 0.00 0.00 43.02 41.66 2k3g s PHE 60 CO 0.11 0.04 0.46 0.00 -0.05 0.00 0.00 175.22 175.79 2k3g s ALA 61 N -1.99 -1.16 0.05 1.99 0.00 -0.83 -2.38 121.76 117.43 2k3g s ALA 61 Ca 0.03 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.48 2k3g s ALA 61 Cb -0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 2k3g s ALA 61 CO 0.01 -0.25 -0.10 -1.50 0.00 0.00 0.00 175.76 173.92 2k3g s ILE 62 N 0.72 0.79 0.02 0.00 2.07 -0.40 -1.38 121.20 123.01 2k3g s ILE 62 Ca -0.04 -1.10 0.02 0.00 -1.41 0.00 0.00 60.65 58.11 2k3g s ILE 62 Cb -0.05 -0.79 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 2k3g s ILE 62 CO -0.05 -0.26 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.15 2k3g s ILE 63 N -1.22 0.41 -0.10 2.00 2.07 -0.48 -2.48 121.20 121.39 2k3g s ILE 63 Ca -0.05 -0.62 -0.14 0.00 -1.41 0.00 0.00 60.65 58.43 2k3g s ILE 63 Cb -0.09 -0.43 0.03 0.00 0.13 0.00 0.00 42.46 42.10 2k3g s ILE 63 CO 0.01 -0.15 0.36 -1.61 -1.91 0.00 0.00 174.94 171.64 2k3g s GLU 64 N -0.84 0.50 -0.30 3.50 2.02 -1.22 -2.13 118.70 120.23 2k3g s GLU 64 Ca -0.05 0.32 -0.11 0.00 0.02 0.00 0.00 54.97 55.16 2k3g s GLU 64 Cb -0.06 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.38 2k3g s GLU 64 CO 0.00 -0.09 0.18 -2.00 0.02 0.00 0.00 175.26 173.37 2k3g s GLU 65 N -0.23 3.66 0.78 1.61 -6.30 -1.22 -2.03 118.70 114.97 2k3g s GLU 65 Ca -0.04 -0.51 -0.07 0.00 -2.50 0.00 0.00 54.97 51.86 2k3g s GLU 65 Cb -0.03 -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 0.00 175.26 176.23 2k3g s ASP 66 N 1.70 4.18 0.51 -1.70 1.47 -0.99 -4.84 116.67 117.00 2k3g s ASP 66 Ca 0.06 0.06 0.34 0.00 1.18 0.00 0.00 52.55 54.19 2k3g s ASP 66 Cb -0.16 -0.44 1.85 0.00 -0.34 0.00 0.00 42.92 43.82 2k3g s ASP 66 CO 0.09 -2.00 2.05 -2.24 0.68 0.00 0.00 175.17 173.75 2k3g h ASP 67 N -0.83 0.00 0.39 2.11 2.03 -1.98 0.09 116.42 118.23 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2k3g h ASP 67 CO 0.46 0.00 -0.71 0.00 -1.03 0.00 0.00 179.24 177.96 2k3g n GLN 68 N -2.71 0.06 -0.49 4.15 6.02 -1.26 -4.97 117.38 118.19 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 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.80 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 0.02 -5.08 105.19 107.33 2k3g n GLY 69 Ca 0.04 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.03 3.66 -0.20 1.61 2.02 -1.26 -4.88 118.70 118.61 2k3g s GLU 70 Ca 0.00 0.11 -0.15 0.00 0.02 0.00 0.00 54.97 54.95 2k3g s GLU 70 Cb 0.00 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 2k3g s GLU 70 CO 0.00 0.73 0.37 0.95 0.02 0.00 0.00 175.26 177.33 2k3g s THR 71 N -1.08 5.22 -0.38 3.63 -4.23 -1.26 -2.34 115.64 115.20 2k3g s THR 71 Ca 0.20 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.22 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 0.09 0.27 0.35 0.42 -0.54 0.00 0.00 174.62 175.22 2k3g s THR 72 N 1.22 5.18 -0.22 3.99 -4.23 -0.86 -4.91 115.64 115.81 2k3g s THR 72 Ca 0.18 -0.23 -0.12 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 0.07 -0.21 0.20 -0.76 -0.54 0.00 0.00 174.62 173.39 2k3g s LEU 73 N 1.95 4.15 -0.04 4.79 1.02 -1.26 -3.42 118.68 125.87 2k3g s LEU 73 Ca 0.10 0.24 -0.09 0.00 0.02 0.00 0.00 54.13 54.39 2k3g s LEU 73 Cb -0.17 -2.19 0.02 0.00 0.02 0.00 0.00 46.19 43.86 2k3g s LEU 73 CO 0.12 0.07 0.22 0.00 0.02 0.00 0.00 176.35 176.78 2k3g s ALA 74 N 0.88 -0.53 0.17 4.21 0.00 -1.04 -4.43 121.76 121.02 2k3g s ALA 74 Ca 0.10 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 2k3g s ALA 74 Cb -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2k3g s ALA 74 CO 0.03 -0.18 0.19 -1.54 0.00 0.00 0.00 175.76 174.27 2k3g s SER 75 N -0.72 0.14 0.00 0.00 1.04 -1.13 -1.28 113.70 111.76 2k3g s SER 75 Ca -0.08 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2k3g s SER 75 Cb -0.05 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.47 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 -0.88 3.75 7.32 0.00 -1.00 -3.62 105.19 110.55 2k3g n GLY 76 Ca -0.04 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 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 0.23 4.04 1.11 0.00 1.75 -0.61 -4.96 119.30 120.85 2k3g s MET 78 Ca 0.18 -0.19 -0.13 0.00 -1.25 0.00 0.00 55.69 54.30 2k3g s MET 78 Cb -0.13 -3.59 0.25 0.00 2.84 0.00 0.00 34.83 34.19 2k3g s MET 78 CO 0.05 -0.08 1.06 -1.59 -0.65 0.00 0.00 175.02 173.81 2k3g s LYS 79 N 1.46 -0.45 0.09 4.11 -2.85 -1.26 -2.44 119.74 118.39 2k3g s LYS 79 Ca 0.10 0.60 -0.31 0.00 -1.00 0.00 0.00 55.97 55.36 2k3g s LYS 79 Cb -0.15 -1.63 -0.09 0.00 -2.06 0.00 0.00 37.83 33.91 2k3g s LYS 79 CO 0.08 -3.35 1.62 1.52 0.10 0.00 0.00 175.35 175.33 2k3g s TYR 80 N -2.71 2.58 0.00 1.78 -0.85 -1.26 -4.61 117.35 112.27 2k3g s TYR 80 Ca 0.67 0.41 0.00 0.00 -0.52 0.00 0.00 57.07 57.63 2k3g s TYR 80 Cb -0.21 -3.94 0.00 0.00 0.38 0.00 0.00 41.96 38.18 2k3g s TYR 80 CO 0.61 -3.71 0.00 0.39 -1.52 0.00 0.00 175.55 171.32 2k3g n GLU 81 N 5.23 0.00 0.00 -3.49 1.02 -1.26 -5.06 120.64 117.08 2k3g n GLU 81 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2k3g n GLU 81 Cb 0.40 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 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 3.12 2.38 3.68 0.62 0.00 -1.26 -5.12 105.19 108.60 2k3g n GLY 82 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2k3g n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3g s SER 83 N 0.00 6.91 0.10 1.61 1.04 -1.26 -4.91 113.70 117.19 2k3g s SER 83 Ca 0.00 1.91 -0.03 0.00 0.48 0.00 0.00 55.95 58.32 2k3g s SER 83 Cb 0.00 -2.55 -0.19 0.00 0.10 0.00 0.00 66.02 63.38 2k3g s SER 83 CO 0.00 -0.72 1.22 0.44 0.98 0.00 0.00 173.24 175.16 2k3g h ASP 84 N 8.07 0.41 -0.23 7.02 3.32 -1.99 -3.40 116.42 129.60 2k3g h ASP 84 Ca -0.33 -0.39 -0.25 0.00 0.02 0.00 0.00 57.03 56.07 2k3g h ASP 84 Cb 1.15 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 2k3g h ASP 84 CO 0.93 1.26 -0.54 0.33 -1.72 0.00 0.00 179.24 179.49 2k3g n PHE 85 N -3.60 -1.74 -3.66 4.55 7.35 -1.26 -4.53 117.46 114.57 2k3g n PHE 85 Ca -0.07 -2.14 -0.05 0.00 -0.76 0.00 0.00 57.45 54.43 2k3g n PHE 85 Cb 0.94 1.18 -0.07 0.00 0.35 0.00 0.00 39.48 41.88 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 -0.50 0.44 -0.57 -4.13 -0.21 -1.26 -5.05 119.66 108.38 2k3g s GLN 86 Ca 0.23 1.21 -0.05 0.00 0.02 0.00 0.00 55.36 56.77 2k3g s GLN 86 Cb 0.40 0.54 0.15 0.00 1.00 0.00 0.00 33.01 35.11 2k3g s GLN 86 CO -0.06 -0.23 0.40 0.00 -2.12 0.00 0.00 175.29 173.28 2k3g s LYS 88 N 0.44 2.78 0.04 0.00 1.02 -1.26 -5.02 119.74 117.74 2k3g s LYS 88 Ca 0.13 0.44 0.09 0.00 0.02 0.00 0.00 55.97 56.65 2k3g s LYS 88 Cb -0.21 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 2k3g s LYS 88 CO -0.04 -1.08 -0.25 -0.51 -0.92 0.00 0.00 175.35 172.55 2k3g s ASP 89 N -4.37 3.25 0.30 2.83 1.01 -1.26 -5.12 116.67 113.31 2k3g s ASP 89 Ca 0.58 -0.55 -0.28 0.00 0.71 0.00 0.00 52.55 53.01 2k3g s ASP 89 Cb -0.11 -0.34 -0.09 0.00 1.01 0.00 0.00 42.92 43.38 2k3g s ASP 89 CO 0.52 0.27 1.09 -0.44 0.21 0.00 0.00 175.17 176.81 2k3g s SER 90 N -1.20 7.17 -1.38 0.27 0.01 -1.26 -4.91 113.70 112.40 2k3g s SER 90 Ca 0.12 2.23 -0.11 0.00 1.31 0.00 0.00 55.95 59.49 2k3g s SER 90 Cb -0.10 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 2k3g s SER 90 CO 0.02 -0.21 2.53 -0.81 0.41 0.00 0.00 173.24 175.19 2k3g n PRO 91 N 0.96 3.00 -2.71 12.44 -0.04 -1.26 -4.09 135.00 143.30 2k3g n PRO 91 Ca 0.00 -2.14 -0.02 0.00 -0.04 0.00 0.00 63.50 61.30 2k3g n PRO 91 Cb 0.46 -2.88 0.11 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.65 1.42 -3.68 0.54 4.81 -1.26 -5.12 118.16 119.53 2k3g n LYS 92 Ca 0.63 -1.77 -0.14 0.00 -0.87 0.00 0.00 58.31 56.16 2k3g n LYS 92 Cb 0.27 -0.06 -0.08 0.00 0.02 0.00 0.00 35.03 35.18 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 -0.73 -1.41 -0.49 3.14 0.00 -1.26 -5.12 121.76 115.89 2k3g s ALA 93 Ca 0.14 1.59 0.04 0.00 0.00 0.00 0.00 51.96 53.73 2k3g s ALA 93 Cb 0.42 -0.91 0.13 0.00 0.00 0.00 0.00 23.12 22.76 2k3g s ALA 93 CO -0.10 -0.27 0.23 -1.14 0.00 0.00 0.00 175.76 174.48 2k3g s GLN 94 N 0.26 1.82 0.04 0.00 0.74 -1.26 -5.08 119.66 116.18 2k3g s GLN 94 Ca -0.00 -2.45 -0.21 0.00 0.05 0.00 0.00 55.36 52.74 2k3g s GLN 94 Cb -0.04 -3.16 0.05 0.00 1.10 0.00 0.00 33.01 30.95 2k3g s GLN 94 CO 0.01 -1.10 0.48 -1.17 -0.55 0.00 0.00 175.29 172.96 2k3g s LEU 95 N -0.07 0.11 -0.28 3.68 2.96 -1.26 -5.14 118.68 118.68 2k3g s LEU 95 Ca 0.16 0.14 -0.19 0.00 -0.22 0.00 0.00 54.13 54.02 2k3g s LEU 95 Cb -0.25 1.97 -0.02 0.00 0.50 0.00 0.00 46.19 48.39 2k3g s LEU 95 CO -0.01 -0.68 0.57 -0.13 -1.32 0.00 0.00 176.35 174.78 2k3g s ARG 96 N -2.32 3.98 0.19 1.98 0.52 -1.26 -5.03 118.95 117.01 2k3g s ARG 96 Ca -0.06 0.30 -0.23 0.00 -0.52 0.00 0.00 55.73 55.22 2k3g s ARG 96 Cb -0.01 -3.69 0.05 0.00 0.52 0.00 0.00 34.95 31.82 2k3g s ARG 96 CO -0.01 -0.46 0.71 -0.98 0.02 0.00 0.00 175.30 174.58 2k3g s ARG 97 N 2.45 1.44 0.05 3.54 1.70 -1.26 -3.37 118.95 123.50 2k3g s ARG 97 Ca 0.23 -0.69 0.03 0.00 -0.47 0.00 0.00 55.73 54.83 2k3g s ARG 97 Cb -0.15 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.76 2k3g s ARG 97 CO 0.10 -0.65 -0.10 0.99 -1.08 0.00 0.00 175.30 174.56 2k3g s THR 98 N -3.71 0.76 -0.09 4.99 2.01 -0.91 -4.86 115.64 113.84 2k3g s THR 98 Ca 0.07 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 2k3g s THR 98 Cb -0.03 -0.78 0.05 0.00 0.01 0.00 0.00 72.50 71.75 2k3g s THR 98 CO -0.03 -0.27 0.16 -0.51 -0.69 0.00 0.00 174.62 173.28 2k3g s ILE 99 N -1.24 -0.25 0.08 1.82 2.07 -1.26 -1.38 121.20 121.04 2k3g s ILE 99 Ca -0.06 0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.56 2k3g s ILE 99 Cb -0.09 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 2k3g s ILE 99 CO 0.01 0.14 0.07 -1.61 -1.91 0.00 0.00 174.94 171.64 2k3g s GLU 100 N 2.29 2.84 0.11 3.50 0.41 -0.48 -4.94 118.70 122.43 2k3g s GLU 100 Ca 0.03 -0.70 -0.04 0.00 -0.41 0.00 0.00 54.97 53.84 2k3g s GLU 100 Cb -0.12 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.50 2k3g s GLU 100 CO -0.06 0.56 0.12 0.00 -0.49 0.00 0.00 175.26 175.40 2k3g n ARG 103 N 0.88 2.70 -3.83 0.00 0.63 -1.26 -2.41 116.66 113.36 2k3g n ARG 103 Ca -0.19 -3.35 -0.12 0.00 -0.92 0.00 0.00 57.85 53.27 2k3g n ARG 103 Cb 0.57 -2.27 -0.12 0.00 0.45 0.00 0.00 32.46 31.10 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 -4.86 0.02 0.28 5.15 -4.23 -1.26 -5.07 115.64 105.67 2k3g s THR 104 Ca 0.59 -0.19 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 2k3g s THR 104 Cb 0.47 -0.30 -0.10 0.00 1.34 0.00 0.00 72.50 73.92 2k3g s THR 104 CO -0.19 -0.10 1.21 0.54 -0.54 0.00 0.00 174.62 175.53 2k3g s ASN 105 N -0.31 7.03 -1.08 3.99 4.22 -1.26 -3.12 114.94 124.41 2k3g s ASN 105 Ca -0.04 2.43 0.00 0.00 -2.14 0.00 0.00 52.86 53.11 2k3g s ASN 105 Cb -0.03 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 39.87 2k3g s ASN 105 CO 0.01 -0.35 0.00 0.18 -2.04 0.00 0.00 177.10 174.90 2k3g n LEU 106 N 1.34 -1.06 0.09 3.54 4.77 -0.80 -4.81 117.00 120.07 2k3g n LEU 106 Ca 0.01 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.26 2k3g n LEU 106 Cb 0.43 -2.06 0.49 0.00 -2.33 0.00 0.00 43.42 39.96 2k3g n LEU 106 CO 0.56 -0.23 1.13 0.00 -1.33 0.00 0.00 177.39 177.52 2k3g h ASN 108 N 0.37 0.00 -0.85 0.00 -0.26 -1.87 -3.29 115.58 109.68 2k3g h ASN 108 Ca 0.10 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 2k3g h ASN 108 Cb -0.03 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.19 2k3g h ASN 108 CO -0.02 0.30 0.47 -0.61 -1.06 0.00 0.00 177.43 176.50 2k3g h GLN 109 N 0.00 1.18 -0.64 0.81 4.15 -1.88 -1.45 115.11 117.29 2k3g h GLN 109 Ca -0.02 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2k3g h GLN 109 Cb 1.24 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2k3g h GLN 109 CO 0.04 0.87 0.00 0.66 -1.93 0.00 0.00 178.83 178.46 2k3g n TYR 110 N -4.34 1.68 -3.79 3.99 4.01 -1.25 -4.92 117.16 112.53 2k3g n TYR 110 Ca 0.09 -0.64 -0.37 0.00 -0.16 0.00 0.00 57.90 56.83 2k3g n TYR 110 Cb 0.10 -0.32 -0.13 0.00 -0.31 0.00 0.00 39.34 38.68 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 3.58 -0.26 7.72 2.96 -0.55 -5.08 118.68 124.96 2k3g s LEU 111 Ca 0.52 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.73 2k3g s LEU 111 Cb 0.36 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2k3g s LEU 111 CO 0.22 -0.13 0.36 -1.58 -1.32 0.00 0.00 176.35 173.91 2k3g s GLN 112 N 1.51 4.03 0.36 1.98 0.74 -1.26 -4.94 119.66 122.08 2k3g s GLN 112 Ca 0.04 0.03 -0.27 0.00 0.05 0.00 0.00 55.36 55.21 2k3g s GLN 112 Cb -0.16 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.21 2k3g s GLN 112 CO 0.01 -0.24 1.18 -1.25 -0.55 0.00 0.00 175.29 174.44 2k3g s PRO 113 N 1.96 4.26 0.02 1.67 0.04 -1.26 -5.05 135.00 136.64 2k3g s PRO 113 Ca 0.15 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2k3g s PRO 113 Cb -0.16 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 2k3g s PRO 113 CO 0.10 -0.16 -0.04 0.95 0.04 0.00 0.00 177.00 177.89 2k3g s THR 114 N -1.30 0.19 0.55 1.26 -4.23 -1.26 -5.04 115.64 105.81 2k3g s THR 114 Ca 0.52 -0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 59.89 2k3g s THR 114 Cb -0.33 -0.34 -0.06 0.00 1.34 0.00 0.00 72.50 73.12 2k3g s THR 114 CO 0.42 -0.48 1.10 -0.76 -0.54 0.00 0.00 174.62 174.36 2k3g s LEU 115 N -1.50 3.72 0.56 4.79 1.43 -1.26 -4.77 118.68 121.66 2k3g s LEU 115 Ca -0.15 2.08 -0.19 0.00 -1.03 0.00 0.00 54.13 54.84 2k3g s LEU 115 Cb -0.10 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.50 2k3g s LEU 115 CO -0.01 -1.16 1.16 -2.16 0.23 0.00 0.00 176.35 174.42 2k3g s PRO 116 N -3.41 3.22 0.61 1.29 0.04 -1.26 -4.99 135.00 130.50 2k3g s PRO 116 Ca 0.70 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 63.27 2k3g s PRO 116 Cb -0.21 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2k3g s PRO 116 CO 0.27 -0.98 1.14 -1.25 0.04 0.00 0.00 177.00 176.22 2k3g s PRO 117 N -3.28 2.97 0.73 0.56 0.04 -1.26 -5.03 135.00 129.73 2k3g s PRO 117 Ca 0.74 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2k3g s PRO 117 Cb -0.27 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.35 2k3g s PRO 117 CO 0.30 -1.15 1.11 0.08 0.04 0.00 0.00 177.00 177.38 2k3g s VAL 118 N -1.98 3.22 0.08 -0.36 1.01 -1.26 -5.04 120.40 116.07 2k3g s VAL 118 Ca 0.71 0.40 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 2k3g s VAL 118 Cb -0.24 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 2k3g s VAL 118 CO 0.35 -0.52 0.66 0.54 0.00 0.00 0.00 175.10 176.13 2k3g s VAL 119 N -3.37 4.66 -0.18 2.92 0.11 -1.26 -5.07 120.40 118.21 2k3g s VAL 119 Ca 0.59 1.42 -0.09 0.00 -2.93 0.00 0.00 61.98 60.97 2k3g s VAL 119 Cb -0.11 -4.00 0.07 0.00 -1.53 0.00 0.00 36.38 30.80 2k3g s VAL 119 CO 0.52 0.50 0.43 -0.51 -3.33 0.00 0.00 175.10 172.70 2k3g s ILE 120 N -0.83 -0.14 0.25 7.04 2.07 -1.26 -5.17 121.20 123.17 2k3g s ILE 120 Ca 0.32 0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.68 2k3g s ILE 120 Cb -0.20 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.71 2k3g s ILE 120 CO 0.21 0.04 0.42 -0.83 -1.91 0.00 0.00 174.94 172.88 2k3g s GLY 121 N 1.64 1.51 -0.53 1.50 0.00 -1.26 -5.00 107.32 105.19 2k3g s GLY 121 Ca -0.08 -0.96 -0.26 0.00 0.00 0.00 0.00 44.72 43.41 2k3g s GLY 121 CO -0.13 -0.93 2.44 -1.05 0.00 0.00 0.00 173.10 173.42 2k3g n PRO 122 N -1.16 0.96 -3.62 2.90 -0.02 -1.26 -4.90 135.00 127.91 2k3g n PRO 122 Ca -0.06 -0.03 -0.14 0.00 -2.02 0.00 0.00 63.50 61.25 2k3g n PRO 122 Cb 0.55 -3.34 -0.06 0.00 -0.02 0.00 0.00 33.50 30.63 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 12.14 -0.38 -0.24 6.00 0.08 -1.26 -5.17 117.98 129.16 2k3g s PHE 123 Ca 1.00 0.47 -0.11 0.00 0.12 0.00 0.00 56.93 58.42 2k3g s PHE 123 Cb -0.24 0.29 0.09 0.00 -0.57 0.00 0.00 43.02 42.59 2k3g s PHE 123 CO 0.27 -0.59 0.54 0.12 -0.10 0.00 0.00 175.22 175.47 2k3g s PHE 124 N -2.14 -0.95 -0.01 0.36 5.36 -1.26 -5.05 117.98 114.29 2k3g s PHE 124 Ca -0.07 1.82 -0.13 0.00 -0.96 0.00 0.00 56.93 57.59 2k3g s PHE 124 Cb -0.01 0.50 -0.33 0.00 -0.34 0.00 0.00 43.02 42.84 2k3g s PHE 124 CO 0.00 -0.50 0.85 0.22 -1.46 0.00 0.00 175.22 174.33 2k3g h ASP 125 N 7.56 0.71 -1.92 6.13 3.58 -2.03 -3.48 116.42 126.97 2k3g h ASP 125 Ca -0.25 -0.89 -0.11 0.00 0.42 0.00 0.00 57.03 56.20 2k3g h ASP 125 Cb 1.16 -0.23 0.03 0.00 1.72 0.00 0.00 39.33 42.00 2k3g h ASP 125 CO 0.17 1.73 -0.17 0.61 -2.88 0.00 0.00 179.24 178.70 2k3g n GLY 126 N 1.78 0.47 3.87 -0.78 0.00 -1.26 -5.03 105.19 104.23 2k3g n GLY 126 Ca -0.20 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.01 6.28 0.00 1.61 1.04 -1.26 -5.05 113.70 113.32 2k3g s SER 127 Ca 0.12 1.42 -0.19 0.00 0.48 0.00 0.00 55.95 57.79 2k3g s SER 127 Cb -0.05 -2.47 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 2k3g s SER 127 CO 0.15 -0.83 0.53 -0.63 0.98 0.00 0.00 173.24 173.44 2k3g s ILE 128 N -3.10 4.92 0.00 -1.02 -1.09 -1.26 -5.30 121.20 114.35 2k3g s ILE 128 Ca 0.55 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 60.08 2k3g s ILE 128 Cb -0.11 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 2k3g s ILE 128 CO 0.51 0.48 0.00 -1.14 -1.23 0.00 0.00 174.94 173.56