#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 2.65 -1.33 1.61 -0.02 -1.26 -4.88 135.00 131.76 2k3g n PRO 29 Ca 0.00 0.97 -0.24 0.00 -2.02 0.00 0.00 63.50 62.20 2k3g n PRO 29 Cb 0.00 -2.86 -0.04 0.00 -0.02 0.00 0.00 33.50 30.58 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 6.16 2.25 -2.41 -0.52 1.02 -1.26 -4.89 120.64 121.00 2k3g n GLU 30 Ca 0.19 -2.13 -0.37 0.00 -0.02 0.00 0.00 57.16 54.83 2k3g n GLU 30 Cb 0.36 -2.02 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 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 0.34 6.18 -0.14 1.62 2.15 -1.26 -4.89 116.67 120.67 2k3g s ASP 31 Ca 0.53 -1.77 -0.02 0.00 0.43 0.00 0.00 52.55 51.72 2k3g s ASP 31 Cb 0.35 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2k3g s ASP 31 CO -0.16 -1.83 0.00 -0.89 -0.17 0.00 0.00 175.17 172.12 2k3g s THR 32 N 6.48 0.59 -0.01 1.71 2.01 -1.26 -5.13 115.64 120.04 2k3g s THR 32 Ca 0.56 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 2k3g s THR 32 Cb 0.01 -0.90 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 2k3g s THR 32 CO 0.02 0.04 0.07 -0.76 -0.69 0.00 0.00 174.62 173.30 2k3g s LEU 33 N 1.85 1.80 0.44 4.42 1.43 -1.26 -5.14 118.68 122.22 2k3g s LEU 33 Ca 0.02 -0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 52.73 2k3g s LEU 33 Cb -0.15 0.36 -0.09 0.00 0.03 0.00 0.00 46.19 46.34 2k3g s LEU 33 CO -0.07 -0.21 1.41 -2.65 0.23 0.00 0.00 176.35 175.06 2k3g n PRO 34 N 2.15 2.22 -2.69 1.29 -0.02 -1.26 -4.91 135.00 131.78 2k3g n PRO 34 Ca -0.19 0.79 -0.06 0.00 -2.02 0.00 0.00 63.50 62.02 2k3g n PRO 34 Cb 0.57 -2.59 0.11 0.00 -0.02 0.00 0.00 33.50 31.57 2k3g n PRO 34 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2k3g n PHE 35 N -0.16 -1.75 -3.43 6.00 -1.74 -1.24 -5.00 117.46 110.13 2k3g n PHE 35 Ca 0.05 -2.03 0.01 0.00 -0.56 0.00 0.00 57.45 54.92 2k3g n PHE 35 Cb 0.41 1.24 -0.03 0.00 1.52 0.00 0.00 39.48 42.62 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 -3.35 -1.16 -0.17 5.98 2.96 -1.23 -4.95 118.68 116.76 2k3g s LEU 36 Ca 0.21 1.22 -0.09 0.00 -0.22 0.00 0.00 54.13 55.25 2k3g s LEU 36 Cb 0.41 2.17 -0.05 0.00 0.50 0.00 0.00 46.19 49.23 2k3g s LEU 36 CO -0.07 -0.22 0.14 -0.75 -1.32 0.00 0.00 176.35 174.13 2k3g s LYS 37 N 2.85 3.92 -0.01 1.98 2.20 -1.26 -1.92 119.74 127.50 2k3g s LYS 37 Ca 0.04 -0.17 0.08 0.00 -0.36 0.00 0.00 55.97 55.56 2k3g s LYS 37 Cb -0.13 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 2k3g s LYS 37 CO -0.19 0.47 -0.25 0.00 -0.36 0.00 0.00 175.35 175.02 2k3g s TYR 39 N -0.60 3.44 -0.06 0.00 5.04 -1.26 -1.54 117.35 122.37 2k3g s TYR 39 Ca 0.10 1.50 0.05 0.00 -2.44 0.00 0.00 57.07 56.28 2k3g s TYR 39 Cb -0.10 -2.75 -0.02 0.00 0.35 0.00 0.00 41.96 39.45 2k3g s TYR 39 CO -0.01 0.07 -0.20 0.00 -1.34 0.00 0.00 175.55 174.07 2k3g s SER 41 N -0.37 2.59 0.00 0.00 0.01 -1.23 -4.85 113.70 109.84 2k3g s SER 41 Ca 0.03 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2k3g s SER 41 Cb -0.12 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2k3g s SER 41 CO 0.02 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2k3g n GLY 42 N 2.62 1.45 3.34 3.44 0.00 -1.26 -2.82 105.19 111.95 2k3g n GLY 42 Ca -0.16 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2k3g n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 43 N 0.00 2.83 -0.01 1.61 3.76 -1.26 -5.09 115.29 117.13 2k3g s HIS 43 Ca 0.00 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 2k3g s HIS 43 Cb 0.00 -1.89 0.01 0.00 1.11 0.00 0.00 32.58 31.81 2k3g s HIS 43 CO 0.00 -0.32 -0.02 0.00 -0.85 0.00 0.00 174.74 173.55 2k3g s PRO 45 N 0.27 2.30 0.54 0.00 0.04 -1.26 -4.87 135.00 132.03 2k3g s PRO 45 Ca -0.02 1.95 0.21 0.00 0.04 0.00 0.00 61.00 63.18 2k3g s PRO 45 Cb -0.05 -1.83 1.48 0.00 0.04 0.00 0.00 34.50 34.14 2k3g s PRO 45 CO -0.01 -1.76 2.18 -0.44 0.04 0.00 0.00 177.00 177.02 2k3g h ASP 46 N 0.12 0.00 -0.41 6.66 3.32 -2.03 -1.19 116.42 122.90 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 0.00 179.24 177.14 2k3g n ASP 47 N -4.25 3.06 -4.86 6.45 5.68 -1.26 -4.97 116.55 116.40 2k3g n ASP 47 Ca -0.03 -2.24 -0.31 0.00 -0.50 0.00 0.00 54.79 51.71 2k3g n ASP 47 Cb 0.10 -0.44 0.04 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 -1.69 2.90 -0.03 2.12 0.00 -0.45 -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 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2k3g s ALA 48 CO 0.16 -1.01 -0.19 0.42 0.00 0.00 0.00 175.76 175.14 2k3g s ILE 49 N -3.23 1.51 -1.68 0.00 1.01 -1.11 -4.79 121.20 112.91 2k3g s ILE 49 Ca 0.57 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 2k3g s ILE 49 Cb -0.12 -1.27 0.16 0.00 0.01 0.00 0.00 42.46 41.24 2k3g s ILE 49 CO 0.53 0.43 0.40 -0.46 0.00 0.00 0.00 174.94 175.84 2k3g n ASN 50 N 2.81 -0.93 -3.80 3.58 6.94 -1.26 -0.20 115.26 122.40 2k3g n ASN 50 Ca -0.16 -1.19 -0.27 0.00 -0.02 0.00 0.00 54.58 52.94 2k3g n ASN 50 Cb 0.53 -1.50 0.04 0.00 -2.36 0.00 0.00 39.78 36.49 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 -2.40 -4.55 -4.09 0.53 3.02 -1.26 -4.99 115.26 101.51 2k3g n ASN 51 Ca -0.01 -0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 53.73 2k3g n ASN 51 Cb 0.49 -4.21 -0.10 0.00 -0.61 0.00 0.00 39.78 35.36 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 -3.36 0.20 0.13 3.41 -4.23 0.72 -2.40 115.64 110.11 2k3g s THR 52 Ca 0.53 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 2k3g s THR 52 Cb -0.26 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 2k3g s THR 52 CO 0.80 -0.89 0.07 0.00 -0.54 0.00 0.00 174.62 174.07 2k3g s ILE 54 N -4.04 3.01 0.05 0.00 1.01 -1.26 -1.56 121.20 118.41 2k3g s ILE 54 Ca 0.23 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 2k3g s ILE 54 Cb 0.07 -2.24 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 2k3g s ILE 54 CO 0.01 0.54 0.14 0.28 0.00 0.00 0.00 174.94 175.92 2k3g s THR 55 N 0.08 0.13 -0.29 2.92 -1.32 -0.81 -5.02 115.64 111.34 2k3g s THR 55 Ca -0.06 -1.06 0.09 0.00 -1.21 0.00 0.00 61.69 59.46 2k3g s THR 55 Cb -0.15 -0.99 0.52 0.00 -1.51 0.00 0.00 72.50 70.37 2k3g s THR 55 CO 0.05 -0.58 1.50 -0.46 -2.21 0.00 0.00 174.62 172.91 2k3g n ASN 56 N 0.58 2.77 0.00 8.08 6.94 -1.26 -3.51 115.26 128.87 2k3g n ASN 56 Ca -0.18 -3.66 0.00 0.00 -0.02 0.00 0.00 54.58 50.72 2k3g n ASN 56 Cb 0.59 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 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 -1.04 0.51 3.52 4.83 0.00 -1.23 -4.62 105.19 107.15 2k3g n GLY 57 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 0.54 0.63 -0.01 1.61 3.76 -1.20 -4.90 115.29 115.72 2k3g s HIS 58 Ca 0.00 -0.95 -0.15 0.00 -0.15 0.00 0.00 55.06 53.81 2k3g s HIS 58 Cb 0.00 0.04 -0.06 0.00 1.11 0.00 0.00 32.58 33.67 2k3g s HIS 58 CO 0.00 -0.99 0.42 0.00 -0.85 0.00 0.00 174.74 173.32 2k3g s PHE 60 N -0.94 1.43 -0.13 0.00 -0.12 -1.10 -2.40 117.98 114.73 2k3g s PHE 60 Ca 0.24 -0.47 -0.15 0.00 -0.05 0.00 0.00 56.93 56.50 2k3g s PHE 60 Cb -0.17 -0.78 0.04 0.00 -0.63 0.00 0.00 43.02 41.48 2k3g s PHE 60 CO 0.13 0.12 0.40 0.00 -0.05 0.00 0.00 175.22 175.82 2k3g s ALA 61 N -1.46 -0.99 0.01 1.99 0.00 -0.99 -2.36 121.76 117.96 2k3g s ALA 61 Ca 0.03 1.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 2k3g s ALA 61 Cb -0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 2k3g s ALA 61 CO 0.03 -0.21 0.04 -1.50 0.00 0.00 0.00 175.76 174.12 2k3g s ILE 62 N -0.06 0.09 0.02 0.00 2.07 -0.60 -1.70 121.20 121.01 2k3g s ILE 62 Ca -0.02 -0.75 0.02 0.00 -1.41 0.00 0.00 60.65 58.48 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 0.01 -0.41 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.06 2k3g s ILE 63 N -1.30 0.47 -0.14 2.00 2.07 -0.65 -2.60 121.20 121.04 2k3g s ILE 63 Ca -0.14 -0.65 -0.12 0.00 -1.41 0.00 0.00 60.65 58.32 2k3g s ILE 63 Cb -0.08 -0.47 0.04 0.00 0.13 0.00 0.00 42.46 42.07 2k3g s ILE 63 CO 0.00 -0.14 0.37 -1.61 -1.91 0.00 0.00 174.94 171.65 2k3g s GLU 64 N -0.86 0.42 -0.32 3.50 2.02 -1.21 -2.33 118.70 119.92 2k3g s GLU 64 Ca -0.04 0.52 -0.11 0.00 0.02 0.00 0.00 54.97 55.36 2k3g s GLU 64 Cb -0.06 0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 2k3g s GLU 64 CO 0.00 -0.06 0.20 -2.00 0.02 0.00 0.00 175.26 173.42 2k3g s GLU 65 N 0.28 3.50 0.80 1.61 -6.30 -1.11 -1.94 118.70 115.54 2k3g s GLU 65 Ca -0.01 -0.63 -0.08 0.00 -2.50 0.00 0.00 54.97 51.76 2k3g s GLU 65 Cb -0.03 -3.68 0.13 0.00 0.00 0.00 0.00 34.13 30.54 2k3g s GLU 65 CO -0.00 -0.39 1.11 0.16 0.02 0.00 0.00 175.26 176.15 2k3g s ASP 66 N 1.68 4.09 0.50 -1.70 1.47 -1.01 -4.76 116.67 116.94 2k3g s ASP 66 Ca 0.06 0.12 0.34 0.00 1.18 0.00 0.00 52.55 54.24 2k3g s ASP 66 Cb -0.17 -0.48 1.83 0.00 -0.34 0.00 0.00 42.92 43.76 2k3g s ASP 66 CO 0.09 -2.07 2.03 0.44 0.68 0.00 0.00 175.17 176.34 2k3g h ASP 67 N -0.93 0.00 0.44 2.11 3.32 -1.98 0.20 116.42 119.57 2k3g h ASP 67 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k3g h ASP 67 CO 0.46 0.00 -0.67 0.00 -1.72 0.00 0.00 179.24 177.31 2k3g n GLN 68 N -2.68 0.07 -0.49 3.56 6.02 -1.26 -4.97 117.38 117.63 2k3g n GLN 68 Ca -0.02 0.01 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 3.84 1.08 0.00 0.06 -5.08 105.19 107.35 2k3g n GLY 69 Ca 0.05 -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 -1.04 3.76 -0.21 1.61 2.02 -1.26 -4.88 118.70 118.70 2k3g s GLU 70 Ca 0.00 0.16 -0.15 0.00 0.02 0.00 0.00 54.97 55.00 2k3g s GLU 70 Cb 0.00 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 2k3g s GLU 70 CO 0.00 0.69 0.38 0.95 0.02 0.00 0.00 175.26 177.30 2k3g s THR 71 N -0.91 5.20 -0.35 3.63 -4.23 -1.26 -2.40 115.64 115.32 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 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 2k3g s THR 71 CO 0.09 0.24 0.34 0.42 -0.54 0.00 0.00 174.62 175.17 2k3g s THR 72 N 1.40 5.20 -0.21 3.99 -4.23 -0.82 -4.91 115.64 116.07 2k3g s THR 72 Ca 0.18 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.46 2k3g s THR 72 Cb -0.15 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.82 2k3g s THR 72 CO 0.08 -0.12 0.26 -0.76 -0.54 0.00 0.00 174.62 173.54 2k3g s LEU 73 N 1.94 4.16 -0.05 4.79 1.43 -1.26 -3.34 118.68 126.34 2k3g s LEU 73 Ca 0.10 0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 2k3g s LEU 73 Cb -0.17 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.78 2k3g s LEU 73 CO 0.11 0.04 0.23 0.00 0.23 0.00 0.00 176.35 176.96 2k3g s ALA 74 N 0.96 -0.56 0.17 4.21 0.00 -1.07 -4.38 121.76 121.09 2k3g s ALA 74 Ca 0.13 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 2k3g s ALA 74 Cb -0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2k3g s ALA 74 CO 0.05 -0.17 0.20 -1.54 0.00 0.00 0.00 175.76 174.30 2k3g s SER 75 N -0.59 0.14 0.00 0.00 1.04 -1.13 -1.56 113.70 111.61 2k3g s SER 75 Ca -0.07 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2k3g s SER 75 Cb -0.04 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2k3g s SER 75 CO 0.01 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2k3g n GLY 76 N -0.21 -0.85 3.77 7.32 0.00 -1.00 -3.57 105.19 110.64 2k3g n GLY 76 Ca -0.04 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 4.00 0.85 0.00 1.75 -0.98 -4.96 119.30 119.97 2k3g s MET 78 Ca 0.18 -0.26 -0.11 0.00 -1.25 0.00 0.00 55.69 54.25 2k3g s MET 78 Cb -0.14 -3.62 0.10 0.00 2.84 0.00 0.00 34.83 34.02 2k3g s MET 78 CO 0.06 -0.11 1.09 -1.59 -0.65 0.00 0.00 175.02 173.82 2k3g s LYS 79 N 1.56 1.61 0.08 4.11 -2.85 -1.26 -3.22 119.74 119.76 2k3g s LYS 79 Ca 0.08 0.93 -0.31 0.00 -1.00 0.00 0.00 55.97 55.68 2k3g s LYS 79 Cb -0.15 -1.84 -0.08 0.00 -2.06 0.00 0.00 37.83 33.70 2k3g s LYS 79 CO 0.09 -2.03 1.58 1.52 0.10 0.00 0.00 175.35 176.60 2k3g s TYR 80 N -2.93 2.67 -0.12 1.78 -0.85 -1.26 -4.71 117.35 111.94 2k3g s TYR 80 Ca 0.63 0.50 0.15 0.00 -0.52 0.00 0.00 57.07 57.83 2k3g s TYR 80 Cb -0.18 -3.89 0.34 0.00 0.38 0.00 0.00 41.96 38.62 2k3g s TYR 80 CO 0.57 -3.45 1.16 0.39 -1.52 0.00 0.00 175.55 172.70 2k3g n GLU 81 N 5.14 0.94 0.00 -3.49 1.02 -1.26 -4.98 120.64 118.02 2k3g n GLU 81 Ca 0.15 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 2k3g n GLU 81 Cb 0.41 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.66 2.99 3.69 0.62 0.00 -1.26 -5.02 105.19 105.54 2k3g n GLY 82 Ca 0.13 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 0.24 6.97 0.02 1.61 0.01 -1.26 -4.92 113.70 116.37 2k3g s SER 83 Ca 0.00 1.99 -0.18 0.00 1.31 0.00 0.00 55.95 59.06 2k3g s SER 83 Cb 0.00 -2.56 -0.25 0.00 0.21 0.00 0.00 66.02 63.42 2k3g s SER 83 CO 0.00 -0.62 1.09 0.44 0.41 0.00 0.00 173.24 174.57 2k3g h ASP 84 N 7.44 0.64 -0.01 2.44 3.32 -2.00 -3.42 116.42 124.84 2k3g h ASP 84 Ca -0.37 -0.79 -0.14 0.00 0.02 0.00 0.00 57.03 55.75 2k3g h ASP 84 Cb 1.18 -0.20 -0.19 0.00 0.22 0.00 0.00 39.33 40.34 2k3g h ASP 84 CO 0.88 1.35 -0.45 0.33 -1.72 0.00 0.00 179.24 179.63 2k3g n PHE 85 N -4.09 -0.12 -2.49 4.55 7.35 -1.26 -5.05 117.46 116.36 2k3g n PHE 85 Ca -0.11 -0.61 -0.40 0.00 -0.76 0.00 0.00 57.45 55.57 2k3g n PHE 85 Cb 0.77 0.43 -0.02 0.00 0.35 0.00 0.00 39.48 41.01 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 -0.06 3.61 -0.59 -4.13 -0.21 -1.26 -4.78 119.66 112.25 2k3g s GLN 86 Ca 0.08 -1.50 0.02 0.00 0.02 0.00 0.00 55.36 53.97 2k3g s GLN 86 Cb 0.11 -5.42 0.42 0.00 1.00 0.00 0.00 33.01 29.12 2k3g s GLN 86 CO -0.04 -2.48 1.63 0.00 -2.12 0.00 0.00 175.29 172.27 2k3g s LYS 88 N -3.78 2.57 0.02 0.00 -0.14 -1.26 -5.04 119.74 112.11 2k3g s LYS 88 Ca 0.54 0.33 0.08 0.00 -1.36 0.00 0.00 55.97 55.56 2k3g s LYS 88 Cb 0.44 -2.01 -0.02 0.00 -1.68 0.00 0.00 37.83 34.56 2k3g s LYS 88 CO -0.16 -1.20 -0.25 -0.51 -0.76 0.00 0.00 175.35 172.46 2k3g s ASP 89 N -4.43 2.99 0.30 2.83 1.01 -1.26 -5.12 116.67 112.99 2k3g s ASP 89 Ca 0.59 -0.53 -0.28 0.00 0.71 0.00 0.00 52.55 53.04 2k3g s ASP 89 Cb -0.11 -0.29 -0.09 0.00 1.01 0.00 0.00 42.92 43.44 2k3g s ASP 89 CO 0.51 0.26 1.06 -0.94 0.21 0.00 0.00 175.17 176.27 2k3g s SER 90 N -1.01 7.22 -1.08 0.27 1.04 -1.26 -4.93 113.70 113.95 2k3g s SER 90 Ca 0.10 2.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.63 2k3g s SER 90 Cb -0.10 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.35 2k3g s SER 90 CO 0.01 -0.17 2.94 -0.81 0.98 0.00 0.00 173.24 176.19 2k3g n PRO 91 N 0.95 3.43 -2.03 4.02 -0.04 -1.26 -3.93 135.00 136.14 2k3g n PRO 91 Ca 0.00 -2.28 -0.03 0.00 -0.04 0.00 0.00 63.50 61.15 2k3g n PRO 91 Cb 0.46 -2.52 0.04 0.00 -0.04 0.00 0.00 33.50 31.45 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 2.58 0.83 -2.77 0.54 4.81 -1.26 -5.11 118.16 117.79 2k3g n LYS 92 Ca 0.64 -1.49 -0.42 0.00 -0.87 0.00 0.00 58.31 56.16 2k3g n LYS 92 Cb 0.41 0.16 -0.03 0.00 0.02 0.00 0.00 35.03 35.60 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 -0.41 3.56 -0.63 3.14 0.00 -1.25 -4.95 121.76 121.22 2k3g s ALA 93 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.95 2k3g s ALA 93 Cb 0.28 -3.48 0.39 0.00 0.00 0.00 0.00 23.12 20.30 2k3g s ALA 93 CO -0.08 -1.24 1.55 0.94 0.00 0.00 0.00 175.76 176.93 2k3g n GLN 94 N 6.44 3.11 -3.61 0.00 7.27 -1.26 -4.98 117.38 124.35 2k3g n GLN 94 Ca 0.09 -4.03 -0.14 0.00 0.07 0.00 0.00 57.00 52.99 2k3g n GLN 94 Cb 0.47 -2.26 -0.06 0.00 2.41 0.00 0.00 30.24 30.81 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 -3.80 0.08 -0.30 1.69 2.96 -1.26 -5.12 118.68 112.93 2k3g s LEU 95 Ca 0.50 0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 2k3g s LEU 95 Cb 0.42 2.00 0.01 0.00 0.50 0.00 0.00 46.19 49.11 2k3g s LEU 95 CO -0.29 -0.69 1.20 -0.13 -1.32 0.00 0.00 176.35 175.11 2k3g s ARG 96 N -2.41 4.01 -0.13 1.98 0.52 -1.26 -4.99 118.95 116.67 2k3g s ARG 96 Ca -0.06 1.21 -0.29 0.00 -0.52 0.00 0.00 55.73 56.07 2k3g s ARG 96 Cb -0.01 -3.81 0.08 0.00 0.52 0.00 0.00 34.95 31.73 2k3g s ARG 96 CO -0.02 -0.99 0.74 0.50 0.02 0.00 0.00 175.30 175.55 2k3g s ARG 97 N 3.90 0.93 0.05 3.54 3.52 -1.26 -2.75 118.95 126.87 2k3g s ARG 97 Ca 0.51 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 56.60 2k3g s ARG 97 Cb -0.15 0.44 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2k3g s ARG 97 CO 0.19 -0.24 -0.10 0.99 -0.81 0.00 0.00 175.30 175.33 2k3g s THR 98 N -0.71 0.72 0.04 4.11 2.01 -0.98 -4.92 115.64 115.90 2k3g s THR 98 Ca -0.07 -1.07 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 2k3g s THR 98 Cb -0.02 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 2k3g s THR 98 CO 0.06 -0.28 0.08 -0.51 -0.69 0.00 0.00 174.62 173.28 2k3g s ILE 99 N -1.23 0.15 -0.01 1.82 2.07 -1.26 -1.64 121.20 121.09 2k3g s ILE 99 Ca -0.06 -1.23 -0.05 0.00 -1.41 0.00 0.00 60.65 57.90 2k3g s ILE 99 Cb -0.09 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.47 2k3g s ILE 99 CO 0.01 -0.68 0.11 -1.61 -1.91 0.00 0.00 174.94 170.87 2k3g s GLU 100 N -2.94 0.34 -0.03 3.50 2.02 -0.69 -5.02 118.70 115.88 2k3g s GLU 100 Ca -0.02 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.70 2k3g s GLU 100 Cb 0.01 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.39 2k3g s GLU 100 CO -0.06 -0.07 0.11 0.00 0.02 0.00 0.00 175.26 175.25 2k3g n ARG 103 N 3.44 3.23 -3.92 0.00 0.63 -1.26 -1.95 116.66 116.83 2k3g n ARG 103 Ca -0.17 -4.01 -0.10 0.00 -0.92 0.00 0.00 57.85 52.65 2k3g n ARG 103 Cb 0.57 -2.28 -0.10 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 -5.13 0.11 0.23 5.15 -4.23 -1.26 -5.04 115.64 105.47 2k3g s THR 104 Ca 0.49 -0.89 -0.31 0.00 -1.18 0.00 0.00 61.69 59.81 2k3g s THR 104 Cb 0.40 -0.56 -0.11 0.00 1.34 0.00 0.00 72.50 73.57 2k3g s THR 104 CO -0.31 -0.49 1.62 0.54 -0.54 0.00 0.00 174.62 175.44 2k3g s ASN 105 N -1.66 6.45 -1.18 3.99 2.20 -1.26 -1.71 114.94 121.77 2k3g s ASN 105 Ca -0.12 2.82 0.00 0.00 -0.94 0.00 0.00 52.86 54.63 2k3g s ASN 105 Cb -0.06 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.58 2k3g s ASN 105 CO -0.01 -0.89 0.00 0.18 -2.94 0.00 0.00 177.10 173.44 2k3g n LEU 106 N 3.19 -1.11 0.29 3.54 4.77 -0.80 -4.82 117.00 122.05 2k3g n LEU 106 Ca 0.12 0.22 0.16 0.00 -0.03 0.00 0.00 56.01 56.48 2k3g n LEU 106 Cb 0.37 -2.12 0.89 0.00 -2.33 0.00 0.00 43.42 40.23 2k3g n LEU 106 CO 0.63 -0.30 1.07 0.00 -1.33 0.00 0.00 177.39 177.46 2k3g n ASN 108 N -3.51 0.67 -0.23 0.00 5.03 -1.26 -3.99 115.26 111.96 2k3g n ASN 108 Ca -0.02 0.28 -0.01 0.00 0.87 0.00 0.00 54.58 55.70 2k3g n ASN 108 Cb 0.17 0.62 0.21 0.00 -1.02 0.00 0.00 39.78 39.75 2k3g n ASN 108 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 2k3g h GLN 109 N 0.00 1.02 -0.64 3.52 4.15 -1.78 -1.68 115.11 119.70 2k3g h GLN 109 Ca -0.10 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2k3g h GLN 109 Cb 1.30 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2k3g h GLN 109 CO 0.02 0.71 0.00 0.66 -1.93 0.00 0.00 178.83 178.29 2k3g n TYR 110 N -4.39 1.68 -3.96 3.99 4.01 -1.25 -4.90 117.16 112.34 2k3g n TYR 110 Ca 0.08 -0.64 -0.34 0.00 -0.16 0.00 0.00 57.90 56.84 2k3g n TYR 110 Cb 0.06 -0.32 -0.14 0.00 -0.31 0.00 0.00 39.34 38.63 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 -0.63 -5.09 118.68 124.87 2k3g s LEU 111 Ca 0.53 -1.20 -0.14 0.00 -0.22 0.00 0.00 54.13 53.10 2k3g s LEU 111 Cb 0.36 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 2k3g s LEU 111 CO 0.23 -0.21 0.34 -1.58 -1.32 0.00 0.00 176.35 173.81 2k3g s GLN 112 N 1.23 4.02 0.35 1.98 2.00 -1.26 -4.91 119.66 123.07 2k3g s GLN 112 Ca -0.05 -0.01 -0.27 0.00 -2.00 0.00 0.00 55.36 53.03 2k3g s GLN 112 Cb -0.19 -3.64 -0.09 0.00 0.80 0.00 0.00 33.01 29.89 2k3g s GLN 112 CO -0.03 -0.22 1.18 -1.25 -0.50 0.00 0.00 175.29 174.47 2k3g s PRO 113 N 1.91 4.31 0.02 1.67 0.04 -1.26 -5.05 135.00 136.63 2k3g s PRO 113 Ca 0.14 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2k3g s PRO 113 Cb -0.16 -2.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 2k3g s PRO 113 CO 0.10 -0.13 -0.04 0.95 0.04 0.00 0.00 177.00 177.92 2k3g s THR 114 N -1.27 0.19 0.64 1.26 -4.23 -1.26 -4.97 115.64 106.01 2k3g s THR 114 Ca 0.51 -0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 59.93 2k3g s THR 114 Cb -0.33 -0.33 -0.01 0.00 1.34 0.00 0.00 72.50 73.17 2k3g s THR 114 CO 0.43 -0.48 1.09 -0.76 -0.54 0.00 0.00 174.62 174.36 2k3g s LEU 115 N -1.49 3.41 0.63 4.79 1.43 -1.26 -4.81 118.68 121.39 2k3g s LEU 115 Ca -0.15 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 2k3g s LEU 115 Cb -0.10 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 2k3g s LEU 115 CO -0.01 -1.50 1.25 -2.84 0.23 0.00 0.00 176.35 173.49 2k3g s PRO 116 N -4.13 2.67 0.24 1.29 0.02 -1.26 -4.93 135.00 128.90 2k3g s PRO 116 Ca 0.66 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 2k3g s PRO 116 Cb -0.19 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 2k3g s PRO 116 CO 0.41 -1.47 1.37 -1.25 -0.33 0.00 0.00 177.00 175.72 2k3g s PRO 117 N -3.41 4.33 0.19 5.54 0.04 -1.26 -5.02 135.00 135.41 2k3g s PRO 117 Ca 0.80 2.18 -0.12 0.00 0.04 0.00 0.00 61.00 63.90 2k3g s PRO 117 Cb -0.34 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2k3g s PRO 117 CO 0.38 -0.32 0.39 0.08 0.04 0.00 0.00 177.00 177.57 2k3g s VAL 118 N -0.09 0.04 -0.25 -0.36 1.01 -1.26 -5.14 120.40 114.36 2k3g s VAL 118 Ca 0.57 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2k3g s VAL 118 Cb -0.39 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2k3g s VAL 118 CO 0.42 -0.20 0.63 -0.69 0.00 0.00 0.00 175.10 175.26 2k3g s VAL 119 N -3.95 4.99 -0.34 2.92 1.01 -1.26 -4.92 120.40 118.85 2k3g s VAL 119 Ca 0.15 1.14 0.15 0.00 0.00 0.00 0.00 61.98 63.42 2k3g s VAL 119 Cb 0.01 -3.93 0.44 0.00 0.00 0.00 0.00 36.38 32.89 2k3g s VAL 119 CO 0.00 0.04 1.18 2.30 0.00 0.00 0.00 175.10 178.63 2k3g n ILE 120 N 5.11 0.56 -0.77 2.22 -5.35 -1.26 -5.03 119.36 114.84 2k3g n ILE 120 Ca -0.01 -2.26 0.00 0.00 -0.27 0.00 0.00 62.75 60.22 2k3g n ILE 120 Cb 0.49 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 2k3g n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k3g n GLY 121 N -0.47 -1.12 3.70 3.28 0.00 -1.26 -5.03 105.19 104.29 2k3g n GLY 121 Ca 0.02 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.07 1.43 -3.00 1.61 -0.02 -1.26 -4.97 135.00 128.72 2k3g n PRO 122 Ca 0.00 0.53 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 2k3g n PRO 122 Cb 0.00 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 2k3g n PRO 122 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2k3g s PHE 123 N -1.34 3.79 0.38 6.00 5.36 -1.26 -5.04 117.98 125.86 2k3g s PHE 123 Ca 0.73 1.50 -0.26 0.00 -0.96 0.00 0.00 56.93 57.95 2k3g s PHE 123 Cb -0.43 -2.79 -0.09 0.00 -0.34 0.00 0.00 43.02 39.38 2k3g s PHE 123 CO 0.49 0.36 1.13 -0.06 -1.46 0.00 0.00 175.22 175.68 2k3g s PHE 124 N -0.40 3.19 -0.32 10.12 0.08 -1.26 -5.03 117.98 124.35 2k3g s PHE 124 Ca 0.37 1.59 0.04 0.00 0.12 0.00 0.00 56.93 59.06 2k3g s PHE 124 Cb -0.21 -3.32 0.17 0.00 -0.57 0.00 0.00 43.02 39.09 2k3g s PHE 124 CO 0.24 -1.06 0.50 0.34 -0.10 0.00 0.00 175.22 175.13 2k3g s ASP 125 N -1.18 -0.44 0.00 1.36 2.15 -1.26 -5.13 116.67 112.17 2k3g s ASP 125 Ca 0.55 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2k3g s ASP 125 Cb -0.29 1.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.79 2k3g s ASP 125 CO 0.37 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 2k3g n GLY 126 N 5.05 -2.33 3.84 2.66 0.00 -1.26 -4.92 105.19 108.23 2k3g n GLY 126 Ca 0.05 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 2k3g n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3g s SER 127 N -2.96 6.71 -0.03 1.61 0.01 -1.26 -5.05 113.70 112.74 2k3g s SER 127 Ca 0.00 1.56 -0.19 0.00 1.31 0.00 0.00 55.95 58.63 2k3g s SER 127 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 2k3g s SER 127 CO 0.00 -0.49 0.54 -0.63 0.41 0.00 0.00 173.24 173.07 2k3g s ILE 128 N -2.45 4.99 0.00 1.44 1.01 -1.26 -5.25 121.20 119.68 2k3g s ILE 128 Ca 0.59 1.11 0.00 0.00 0.00 0.00 0.00 60.65 62.35 2k3g s ILE 128 Cb -0.10 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2k3g s ILE 128 CO 0.25 0.43 0.00 -1.14 0.00 0.00 0.00 174.94 174.48