#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 2.63 -1.30 1.61 -0.02 -1.26 -4.88 135.00 131.78 2k3g n PRO 29 Ca 0.00 0.96 -0.24 0.00 -2.02 0.00 0.00 63.50 62.20 2k3g n PRO 29 Cb 0.00 -2.85 -0.03 0.00 -0.02 0.00 0.00 33.50 30.60 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 6.10 2.23 -1.59 -0.52 1.02 -1.26 -4.85 120.64 121.76 2k3g n GLU 30 Ca 0.19 -2.12 -0.42 0.00 -0.02 0.00 0.00 57.16 54.80 2k3g n GLU 30 Cb 0.36 -1.99 -0.01 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 0.71 3.67 -3.65 1.62 5.75 -1.26 -4.80 116.55 118.60 2k3g n ASP 31 Ca 0.44 -2.80 -0.13 0.00 -0.01 0.00 0.00 54.79 52.29 2k3g n ASP 31 Cb 0.57 -1.54 -0.12 0.00 -1.03 0.00 0.00 41.12 39.00 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 3.56 -0.46 0.41 2.12 2.01 -1.26 -5.16 115.64 116.87 2k3g s THR 32 Ca 0.50 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.53 2k3g s THR 32 Cb 0.14 -0.50 -0.11 0.00 0.01 0.00 0.00 72.50 72.05 2k3g s THR 32 CO -0.05 0.09 0.91 -0.76 -0.69 0.00 0.00 174.62 174.13 2k3g s LEU 33 N 2.45 3.98 0.11 4.42 1.43 -1.26 -4.94 118.68 124.87 2k3g s LEU 33 Ca 0.01 1.63 -0.31 0.00 -1.03 0.00 0.00 54.13 54.43 2k3g s LEU 33 Cb -0.12 -4.43 -0.09 0.00 0.03 0.00 0.00 46.19 41.58 2k3g s LEU 33 CO -0.10 -0.32 1.57 -2.84 0.23 0.00 0.00 176.35 174.90 2k3g s PRO 34 N -3.08 4.23 -0.39 1.29 0.02 -1.26 -4.65 135.00 131.15 2k3g s PRO 34 Ca 0.60 2.29 0.10 0.00 0.02 0.00 0.00 61.00 64.01 2k3g s PRO 34 Cb -0.10 -3.37 0.40 0.00 0.02 0.00 0.00 34.50 31.45 2k3g s PRO 34 CO 0.14 -0.63 1.26 1.97 -0.33 0.00 0.00 177.00 179.41 2k3g n PHE 35 N 4.70 -1.82 -3.40 6.54 -1.74 -1.25 -5.02 117.46 115.48 2k3g n PHE 35 Ca 0.14 -2.13 -0.00 0.00 -0.56 0.00 0.00 57.45 54.90 2k3g n PHE 35 Cb 0.40 1.22 -0.03 0.00 1.52 0.00 0.00 39.48 42.59 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 -3.10 -1.17 -0.18 5.98 2.96 -1.22 -4.96 118.68 116.99 2k3g s LEU 36 Ca 0.23 1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 55.14 2k3g s LEU 36 Cb 0.40 2.06 -0.05 0.00 0.50 0.00 0.00 46.19 49.10 2k3g s LEU 36 CO -0.06 -0.25 0.14 -0.75 -1.32 0.00 0.00 176.35 174.11 2k3g s LYS 37 N 2.83 4.06 -0.04 1.98 2.20 -1.26 -1.75 119.74 127.75 2k3g s LYS 37 Ca 0.08 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2k3g s LYS 37 Cb -0.14 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2k3g s LYS 37 CO -0.19 0.38 -0.15 0.00 -0.36 0.00 0.00 175.35 175.03 2k3g s TYR 39 N -0.73 3.69 -0.06 0.00 5.04 -1.26 -1.93 117.35 122.10 2k3g s TYR 39 Ca 0.11 1.30 0.05 0.00 -2.44 0.00 0.00 57.07 56.09 2k3g s TYR 39 Cb -0.11 -2.54 -0.02 0.00 0.35 0.00 0.00 41.96 39.65 2k3g s TYR 39 CO 0.01 0.43 -0.21 0.00 -1.34 0.00 0.00 175.55 174.44 2k3g s SER 41 N -0.36 2.87 0.00 0.00 0.15 -1.26 -4.84 113.70 110.26 2k3g s SER 41 Ca 0.03 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2k3g s SER 41 Cb -0.12 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 2k3g s SER 41 CO 0.02 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2k3g n GLY 42 N 4.72 1.82 3.36 9.45 0.00 -1.26 -3.51 105.19 119.77 2k3g n GLY 42 Ca -0.18 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 3.20 -0.01 1.61 5.65 -1.26 -5.04 115.29 119.43 2k3g s HIS 43 Ca 0.00 -0.96 0.01 0.00 0.25 0.00 0.00 55.06 54.36 2k3g s HIS 43 Cb 0.00 -2.33 0.01 0.00 -1.18 0.00 0.00 32.58 29.08 2k3g s HIS 43 CO 0.00 -0.60 -0.02 0.00 -0.65 0.00 0.00 174.74 173.48 2k3g s PRO 45 N 0.31 2.17 0.53 0.00 0.04 -1.26 -4.87 135.00 131.92 2k3g s PRO 45 Ca -0.03 1.90 0.20 0.00 0.04 0.00 0.00 61.00 63.11 2k3g s PRO 45 Cb -0.05 -1.82 1.39 0.00 0.04 0.00 0.00 34.50 34.05 2k3g s PRO 45 CO -0.01 -1.85 2.16 -0.44 0.04 0.00 0.00 177.00 176.90 2k3g h ASP 46 N -0.09 0.00 -0.41 6.66 3.32 -2.02 -1.13 116.42 122.75 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 0.50 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.14 2k3g n ASP 47 N -4.31 3.09 -4.82 6.45 5.75 -1.26 -4.97 116.55 116.47 2k3g n ASP 47 Ca -0.03 -2.25 -0.31 0.00 -0.01 0.00 0.00 54.79 52.19 2k3g n ASP 47 Cb 0.11 -0.44 0.05 0.00 -1.03 0.00 0.00 41.12 39.81 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 2.66 -0.01 2.12 0.00 -0.43 -5.06 121.76 119.34 2k3g s ALA 48 Ca 0.32 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.37 2k3g s ALA 48 Cb 0.20 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2k3g s ALA 48 CO 0.16 -1.25 -0.18 0.42 0.00 0.00 0.00 175.76 174.91 2k3g s ILE 49 N -3.07 1.44 -1.68 0.00 1.01 -1.11 -4.78 121.20 113.01 2k3g s ILE 49 Ca 0.58 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 2k3g s ILE 49 Cb -0.14 -1.20 0.16 0.00 0.01 0.00 0.00 42.46 41.29 2k3g s ILE 49 CO 0.55 0.38 0.41 -0.46 0.00 0.00 0.00 174.94 175.82 2k3g n ASN 50 N 2.56 -0.98 -3.79 3.58 6.94 -1.26 -0.47 115.26 121.84 2k3g n ASN 50 Ca -0.15 -1.18 -0.27 0.00 -0.02 0.00 0.00 54.58 52.96 2k3g n ASN 50 Cb 0.54 -1.50 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 -3.20 -1.03 0.00 0.00 177.26 173.03 2k3g n ASN 51 N -2.38 -4.84 -4.02 0.53 2.85 -1.26 -4.99 115.26 101.15 2k3g n ASN 51 Ca -0.01 -0.71 -0.09 0.00 -0.11 0.00 0.00 54.58 53.66 2k3g n ASN 51 Cb 0.49 -4.27 -0.08 0.00 1.24 0.00 0.00 39.78 37.15 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2k3g s THR 52 N -3.34 0.11 0.13 -0.44 -4.23 0.38 -2.82 115.64 105.43 2k3g s THR 52 Ca 0.56 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 2k3g s THR 52 Cb -0.27 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 2k3g s THR 52 CO 0.80 -0.48 0.07 0.00 -0.54 0.00 0.00 174.62 174.46 2k3g s ILE 54 N -4.03 3.27 0.03 0.00 1.01 -1.26 -1.61 121.20 118.60 2k3g s ILE 54 Ca 0.22 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2k3g s ILE 54 Cb 0.07 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2k3g s ILE 54 CO 0.01 0.54 0.01 0.28 0.00 0.00 0.00 174.94 175.78 2k3g s THR 55 N -0.05 0.13 -0.35 2.92 -1.32 -0.72 -5.00 115.64 111.25 2k3g s THR 55 Ca -0.02 -1.11 0.07 0.00 -1.21 0.00 0.00 61.69 59.42 2k3g s THR 55 Cb -0.14 -0.66 0.54 0.00 -1.51 0.00 0.00 72.50 70.73 2k3g s THR 55 CO 0.04 -0.61 1.58 -0.46 -2.21 0.00 0.00 174.62 172.96 2k3g n ASN 56 N 1.12 3.21 0.00 8.08 6.94 -1.26 -3.43 115.26 129.91 2k3g n ASN 56 Ca -0.21 -3.76 0.00 0.00 -0.02 0.00 0.00 54.58 50.59 2k3g n ASN 56 Cb 0.57 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 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 -1.10 0.84 3.53 4.83 0.00 -1.23 -4.56 105.19 107.51 2k3g n GLY 57 Ca 0.42 -0.02 -0.11 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 0.41 0.60 -0.01 1.61 3.76 -1.12 -4.92 115.29 115.62 2k3g s HIS 58 Ca 0.00 -0.93 -0.15 0.00 -0.15 0.00 0.00 55.06 53.83 2k3g s HIS 58 Cb 0.00 0.06 -0.06 0.00 1.11 0.00 0.00 32.58 33.69 2k3g s HIS 58 CO 0.00 -1.00 0.41 0.00 -0.85 0.00 0.00 174.74 173.30 2k3g s PHE 60 N -0.97 1.29 -0.13 0.00 -0.12 -1.08 -2.02 117.98 114.96 2k3g s PHE 60 Ca 0.24 -0.56 -0.15 0.00 -0.05 0.00 0.00 56.93 56.41 2k3g s PHE 60 Cb -0.17 -0.69 0.04 0.00 -0.63 0.00 0.00 43.02 41.57 2k3g s PHE 60 CO 0.13 0.09 0.41 0.00 -0.05 0.00 0.00 175.22 175.80 2k3g s ALA 61 N -2.01 -1.01 0.01 1.99 0.00 -0.79 -2.28 121.76 117.67 2k3g s ALA 61 Ca 0.06 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 2k3g s ALA 61 Cb -0.06 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2k3g s ALA 61 CO 0.02 -0.21 0.06 -1.50 0.00 0.00 0.00 175.76 174.13 2k3g s ILE 62 N -0.12 0.09 0.01 0.00 2.07 -0.64 -1.62 121.20 121.00 2k3g s ILE 62 Ca -0.03 -0.73 0.00 0.00 -1.41 0.00 0.00 60.65 58.48 2k3g s ILE 62 Cb -0.03 -0.34 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 2k3g s ILE 62 CO 0.02 -0.40 -0.02 -0.51 -1.91 0.00 0.00 174.94 172.11 2k3g s ILE 63 N -1.31 0.07 -0.06 2.00 2.07 -0.49 -2.36 121.20 121.11 2k3g s ILE 63 Ca -0.14 -0.50 -0.08 0.00 -1.41 0.00 0.00 60.65 58.52 2k3g s ILE 63 Cb -0.08 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.37 2k3g s ILE 63 CO 0.00 -0.27 0.21 -1.61 -1.91 0.00 0.00 174.94 171.37 2k3g s GLU 64 N -0.79 0.34 -0.32 3.50 2.02 -1.20 -1.63 118.70 120.63 2k3g s GLU 64 Ca -0.08 0.13 -0.11 0.00 0.02 0.00 0.00 54.97 54.92 2k3g s GLU 64 Cb -0.05 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 2k3g s GLU 64 CO -0.01 -0.06 0.20 -2.00 0.02 0.00 0.00 175.26 173.41 2k3g s GLU 65 N -0.30 3.53 0.76 1.61 -6.30 -1.16 -1.95 118.70 114.89 2k3g s GLU 65 Ca -0.04 -0.60 -0.06 0.00 -2.50 0.00 0.00 54.97 51.76 2k3g s GLU 65 Cb -0.03 -3.69 0.12 0.00 0.00 0.00 0.00 34.13 30.53 2k3g s GLU 65 CO 0.01 -0.38 1.07 0.16 0.02 0.00 0.00 175.26 176.14 2k3g s ASP 66 N 1.69 4.23 0.47 -1.70 1.47 -1.04 -4.72 116.67 117.07 2k3g s ASP 66 Ca 0.06 0.04 0.32 0.00 1.18 0.00 0.00 52.55 54.14 2k3g s ASP 66 Cb -0.17 -0.44 1.70 0.00 -0.34 0.00 0.00 42.92 43.67 2k3g s ASP 66 CO 0.09 -1.96 1.97 -2.24 0.68 0.00 0.00 175.17 173.71 2k3g h ASP 67 N -0.78 0.00 0.45 2.11 3.04 -1.98 0.45 116.42 119.71 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 -0.75 0.00 -2.04 0.00 0.00 179.24 176.91 2k3g n GLN 68 N -2.62 0.12 -0.49 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 0.78 3.87 1.08 0.00 0.15 -5.08 105.19 107.44 2k3g n GLY 69 Ca 0.04 -0.48 -0.36 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 3.59 -0.18 1.61 2.02 -1.26 -4.89 118.70 118.56 2k3g s GLU 70 Ca 0.00 -0.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.83 2k3g s GLU 70 Cb 0.00 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 2k3g s GLU 70 CO 0.00 0.70 0.36 0.95 0.02 0.00 0.00 175.26 177.29 2k3g s THR 71 N -1.18 5.24 -0.38 3.63 -4.23 -1.26 -2.49 115.64 114.98 2k3g s THR 71 Ca 0.23 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.24 2k3g s THR 71 Cb -0.13 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.01 2k3g s THR 71 CO 0.12 0.31 0.35 0.42 -0.54 0.00 0.00 174.62 175.28 2k3g s THR 72 N 0.96 5.18 -0.19 3.99 -4.23 -0.82 -4.89 115.64 115.64 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 -0.14 -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 0.00 174.62 173.38 2k3g s LEU 73 N 1.95 4.22 -0.06 4.79 1.02 -1.26 -3.24 118.68 126.10 2k3g s LEU 73 Ca 0.10 0.34 -0.14 0.00 0.02 0.00 0.00 54.13 54.45 2k3g s LEU 73 Cb -0.17 -2.21 0.03 0.00 0.02 0.00 0.00 46.19 43.85 2k3g s LEU 73 CO 0.12 0.14 0.32 0.00 0.02 0.00 0.00 176.35 176.95 2k3g s ALA 74 N 0.44 -0.81 0.17 4.21 0.00 -1.00 -4.59 121.76 120.19 2k3g s ALA 74 Ca 0.12 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.59 2k3g s ALA 74 Cb -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2k3g s ALA 74 CO 0.01 -0.22 0.19 -1.54 0.00 0.00 0.00 175.76 174.20 2k3g s SER 75 N -0.77 0.14 0.00 0.00 1.04 -1.23 -1.61 113.70 111.27 2k3g s SER 75 Ca -0.09 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.22 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 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2k3g n GLY 76 N -0.21 0.84 3.76 7.32 0.00 -0.96 -4.22 105.19 111.72 2k3g n GLY 76 Ca -0.04 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 0.07 4.04 1.13 0.00 1.75 -0.71 -4.94 119.30 120.62 2k3g s MET 78 Ca 0.15 -0.28 -0.15 0.00 -1.25 0.00 0.00 55.69 54.16 2k3g s MET 78 Cb -0.13 -3.54 0.25 0.00 2.84 0.00 0.00 34.83 34.26 2k3g s MET 78 CO 0.04 0.03 1.06 -1.59 -0.65 0.00 0.00 175.02 173.91 2k3g s LYS 79 N 1.14 -0.60 0.28 4.11 -2.85 -1.26 -2.81 119.74 117.75 2k3g s LYS 79 Ca 0.07 0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 2k3g s LYS 79 Cb -0.14 -1.63 -0.10 0.00 -2.06 0.00 0.00 37.83 33.90 2k3g s LYS 79 CO 0.05 -3.40 1.43 1.52 0.10 0.00 0.00 175.35 175.05 2k3g s TYR 80 N -2.79 2.96 0.00 1.78 -0.85 -1.26 -4.64 117.35 112.56 2k3g s TYR 80 Ca 0.68 1.09 0.00 0.00 -0.52 0.00 0.00 57.07 58.32 2k3g s TYR 80 Cb -0.18 -3.83 0.00 0.00 0.38 0.00 0.00 41.96 38.33 2k3g s TYR 80 CO 0.59 -2.62 0.00 0.39 -1.52 0.00 0.00 175.55 172.39 2k3g n GLU 81 N 1.87 0.00 0.00 -3.49 1.02 -1.26 -5.07 120.64 113.71 2k3g n GLU 81 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2k3g n GLU 81 Cb 0.40 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 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 2.22 3.06 3.63 0.62 0.00 -1.26 -5.10 105.19 108.37 2k3g n GLY 82 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.04 6.55 0.08 1.61 0.01 -1.26 -4.89 113.70 115.76 2k3g s SER 83 Ca 0.00 1.50 -0.06 0.00 1.31 0.00 0.00 55.95 58.69 2k3g s SER 83 Cb 0.00 -2.54 -0.25 0.00 0.21 0.00 0.00 66.02 63.44 2k3g s SER 83 CO 0.00 -1.14 1.15 0.44 0.41 0.00 0.00 173.24 174.11 2k3g h ASP 84 N 9.93 0.53 -0.90 2.44 3.32 -2.00 -3.42 116.42 126.32 2k3g h ASP 84 Ca -0.30 -0.53 -0.27 0.00 0.02 0.00 0.00 57.03 55.94 2k3g h ASP 84 Cb 1.13 -0.17 -0.20 0.00 0.22 0.00 0.00 39.33 40.31 2k3g h ASP 84 CO 1.01 1.39 -0.61 2.22 -1.72 0.00 0.00 179.24 181.53 2k3g n PHE 85 N -3.62 -2.95 -3.25 4.55 -1.74 -1.26 -4.84 117.46 104.35 2k3g n PHE 85 Ca -0.10 -1.97 -0.04 0.00 -0.56 0.00 0.00 57.45 54.79 2k3g n PHE 85 Cb 0.99 1.18 -0.04 0.00 1.52 0.00 0.00 39.48 43.13 2k3g n PHE 85 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2k3g s GLN 86 N 0.49 0.46 -0.17 3.97 -0.21 -1.26 -5.03 119.66 117.91 2k3g s GLN 86 Ca 0.32 0.46 0.24 0.00 0.02 0.00 0.00 55.36 56.39 2k3g s GLN 86 Cb 0.11 -0.05 0.48 0.00 1.00 0.00 0.00 33.01 34.54 2k3g s GLN 86 CO -0.15 -0.89 1.14 0.00 -2.12 0.00 0.00 175.29 173.26 2k3g s LYS 88 N -2.42 1.30 -0.01 0.00 1.02 -1.26 -4.75 119.74 113.61 2k3g s LYS 88 Ca 0.29 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.16 2k3g s LYS 88 Cb 0.34 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 2k3g s LYS 88 CO -0.09 -2.01 -0.05 0.16 -0.92 0.00 0.00 175.35 172.45 2k3g s ASP 89 N -4.71 0.66 0.58 2.83 1.47 -1.26 -5.11 116.67 111.13 2k3g s ASP 89 Ca 0.68 -0.09 -0.15 0.00 1.18 0.00 0.00 52.55 54.17 2k3g s ASP 89 Cb -0.08 -0.16 -0.05 0.00 -0.34 0.00 0.00 42.92 42.29 2k3g s ASP 89 CO 0.51 0.02 1.02 -0.44 0.68 0.00 0.00 175.17 176.97 2k3g s SER 90 N 0.22 6.17 -0.58 2.11 0.01 -1.26 -4.95 113.70 115.41 2k3g s SER 90 Ca -0.02 1.62 -0.06 0.00 1.31 0.00 0.00 55.95 58.80 2k3g s SER 90 Cb -0.06 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.55 2k3g s SER 90 CO -0.00 -0.90 3.15 -0.81 0.41 0.00 0.00 173.24 175.08 2k3g n PRO 91 N -2.10 2.73 -2.77 12.44 -0.04 -1.26 -4.38 135.00 139.63 2k3g n PRO 91 Ca 0.07 -1.85 -0.09 0.00 -0.04 0.00 0.00 63.50 61.59 2k3g n PRO 91 Cb 0.54 -2.26 0.08 0.00 -0.04 0.00 0.00 33.50 31.81 2k3g n PRO 91 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k3g n LYS 92 N 2.21 1.09 -1.15 0.54 5.02 -1.26 -5.13 118.16 119.48 2k3g n LYS 92 Ca 0.54 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 2k3g n LYS 92 Cb 0.62 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3g n ALA 93 N -0.05 0.00 -1.00 7.82 0.00 -1.26 -5.17 120.51 120.85 2k3g n ALA 93 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2k3g n ALA 93 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 2k3g n ALA 93 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2k3g n GLN 94 N 0.00 -1.33 -0.86 0.00 -0.06 -1.26 -4.94 117.38 108.94 2k3g n GLN 94 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 2k3g n GLN 94 Cb 0.00 0.00 0.17 0.00 -4.06 0.00 0.00 30.24 26.35 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2k3g s LEU 95 N 0.00 2.20 0.47 1.69 2.96 -1.26 -4.86 118.68 119.88 2k3g s LEU 95 Ca 0.00 1.80 -0.23 0.00 -0.22 0.00 0.00 54.13 55.48 2k3g s LEU 95 Cb 0.00 -4.10 -0.07 0.00 0.50 0.00 0.00 46.19 42.52 2k3g s LEU 95 CO 0.00 -3.14 1.20 -0.13 -1.32 0.00 0.00 176.35 172.95 2k3g s ARG 96 N -4.71 3.66 0.19 1.98 0.52 -1.26 -4.89 118.95 114.45 2k3g s ARG 96 Ca 0.66 1.85 -0.23 0.00 -0.52 0.00 0.00 55.73 57.49 2k3g s ARG 96 Cb -0.21 -2.39 0.05 0.00 0.52 0.00 0.00 34.95 32.92 2k3g s ARG 96 CO 0.59 -0.65 0.72 -0.98 0.02 0.00 0.00 175.30 175.00 2k3g s ARG 97 N -2.73 1.43 0.10 3.54 1.70 -1.26 -3.01 118.95 118.72 2k3g s ARG 97 Ca 0.65 -0.69 0.09 0.00 -0.47 0.00 0.00 55.73 55.31 2k3g s ARG 97 Cb -0.30 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 2k3g s ARG 97 CO 0.37 -0.64 -0.22 0.99 -1.08 0.00 0.00 175.30 174.71 2k3g s THR 98 N -3.70 1.82 0.03 4.99 2.01 -0.64 -5.01 115.64 115.13 2k3g s THR 98 Ca 0.07 -1.52 -0.05 0.00 0.31 0.00 0.00 61.69 60.50 2k3g s THR 98 Cb -0.03 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 2k3g s THR 98 CO -0.03 0.02 0.08 -0.51 -0.69 0.00 0.00 174.62 173.49 2k3g s ILE 99 N -1.08 0.12 -0.00 1.82 2.07 -1.26 -1.40 121.20 121.47 2k3g s ILE 99 Ca 0.08 -1.02 -0.13 0.00 -1.41 0.00 0.00 60.65 58.16 2k3g s ILE 99 Cb -0.10 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 41.78 2k3g s ILE 99 CO 0.04 -0.56 0.28 -1.61 -1.91 0.00 0.00 174.94 171.18 2k3g s GLU 100 N -2.25 0.67 0.04 3.50 2.02 -0.64 -4.96 118.70 117.09 2k3g s GLU 100 Ca -0.08 -0.29 -0.05 0.00 0.02 0.00 0.00 54.97 54.58 2k3g s GLU 100 Cb -0.03 0.29 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 2k3g s GLU 100 CO -0.03 -0.19 0.07 0.00 0.02 0.00 0.00 175.26 175.14 2k3g n ARG 103 N 3.25 3.11 -3.82 0.00 0.63 -1.26 -2.10 116.66 116.48 2k3g n ARG 103 Ca -0.16 -3.98 -0.12 0.00 -0.92 0.00 0.00 57.85 52.67 2k3g n ARG 103 Cb 0.56 -2.27 -0.09 0.00 0.45 0.00 0.00 32.46 31.12 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 -5.24 0.08 0.24 5.15 -4.23 -1.26 -5.05 115.64 105.33 2k3g s THR 104 Ca 0.50 -0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 60.03 2k3g s THR 104 Cb 0.41 -0.67 -0.11 0.00 1.34 0.00 0.00 72.50 73.47 2k3g s THR 104 CO -0.31 -0.37 1.60 0.54 -0.54 0.00 0.00 174.62 175.53 2k3g s ASN 105 N -1.62 6.47 -1.21 3.99 4.22 -1.26 -1.76 114.94 123.76 2k3g s ASN 105 Ca -0.11 2.81 0.00 0.00 -2.14 0.00 0.00 52.86 53.42 2k3g s ASN 105 Cb -0.04 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.87 2k3g s ASN 105 CO 0.01 -0.87 0.00 0.18 -2.04 0.00 0.00 177.10 174.37 2k3g n LEU 106 N 3.05 -1.16 0.29 3.54 4.77 -0.80 -4.83 117.00 121.87 2k3g n LEU 106 Ca 0.11 0.22 0.16 0.00 -0.03 0.00 0.00 56.01 56.47 2k3g n LEU 106 Cb 0.38 -2.16 0.88 0.00 -2.33 0.00 0.00 43.42 40.18 2k3g n LEU 106 CO 0.63 -0.30 1.06 0.00 -1.33 0.00 0.00 177.39 177.45 2k3g h ASN 108 N 0.00 0.00 -0.63 0.00 4.21 -1.88 -3.27 115.58 114.01 2k3g h ASN 108 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2k3g h ASN 108 Cb 0.19 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 2k3g h ASN 108 CO 0.01 0.36 0.36 -0.61 -1.29 0.00 0.00 177.43 176.26 2k3g h GLN 109 N 0.00 0.86 -0.63 0.81 5.75 -1.71 -2.74 115.11 117.45 2k3g h GLN 109 Ca -0.00 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2k3g h GLN 109 Cb 0.82 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.20 2k3g h GLN 109 CO 0.05 0.63 0.00 0.66 -2.65 0.00 0.00 178.83 177.52 2k3g n TYR 110 N -4.58 1.66 -3.92 3.99 4.01 -1.24 -4.87 117.16 112.20 2k3g n TYR 110 Ca 0.05 -0.65 -0.34 0.00 -0.16 0.00 0.00 57.90 56.79 2k3g n TYR 110 Cb 0.07 -0.32 -0.14 0.00 -0.31 0.00 0.00 39.34 38.64 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 -2.12 3.96 -0.27 7.72 2.96 -1.03 -5.08 118.68 124.82 2k3g s LEU 111 Ca 0.52 -1.37 -0.12 0.00 -0.22 0.00 0.00 54.13 52.94 2k3g s LEU 111 Cb 0.36 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 2k3g s LEU 111 CO 0.22 -0.27 0.25 -1.58 -1.32 0.00 0.00 176.35 173.64 2k3g s GLN 112 N 1.21 3.99 0.19 1.98 0.74 -1.26 -4.94 119.66 121.57 2k3g s GLN 112 Ca -0.04 -0.20 -0.30 0.00 0.05 0.00 0.00 55.36 54.87 2k3g s GLN 112 Cb -0.20 -3.64 -0.08 0.00 1.10 0.00 0.00 33.01 30.18 2k3g s GLN 112 CO -0.02 -0.18 1.28 -1.25 -0.55 0.00 0.00 175.29 174.57 2k3g s PRO 113 N 1.76 4.42 0.02 1.67 0.04 -1.26 -5.04 135.00 136.61 2k3g s PRO 113 Ca 0.10 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2k3g s PRO 113 Cb -0.16 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2k3g s PRO 113 CO 0.10 -0.21 -0.04 0.95 0.04 0.00 0.00 177.00 177.84 2k3g s THR 114 N 0.10 0.19 0.65 1.26 -4.23 -1.26 -4.99 115.64 107.36 2k3g s THR 114 Ca 0.56 -0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 59.97 2k3g s THR 114 Cb -0.35 -0.33 -0.01 0.00 1.34 0.00 0.00 72.50 73.15 2k3g s THR 114 CO 0.38 -0.48 1.10 -0.76 -0.54 0.00 0.00 174.62 174.32 2k3g s LEU 115 N -1.49 3.40 0.75 4.79 1.43 -1.26 -4.88 118.68 121.43 2k3g s LEU 115 Ca -0.15 1.97 -0.14 0.00 -1.03 0.00 0.00 54.13 54.78 2k3g s LEU 115 Cb -0.10 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.62 2k3g s LEU 115 CO -0.01 -1.57 1.20 -2.84 0.23 0.00 0.00 176.35 173.36 2k3g s PRO 116 N -4.11 2.02 0.87 1.29 0.02 -1.26 -4.98 135.00 128.86 2k3g s PRO 116 Ca 0.66 1.71 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 2k3g s PRO 116 Cb -0.20 -1.82 0.12 0.00 0.02 0.00 0.00 34.50 32.62 2k3g s PRO 116 CO 0.41 -1.91 1.12 -2.14 -0.33 0.00 0.00 177.00 174.15 2k3g s PRO 117 N -4.03 1.41 0.18 5.54 0.02 -1.26 -5.06 135.00 131.80 2k3g s PRO 117 Ca 0.73 1.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.03 2k3g s PRO 117 Cb -0.28 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2k3g s PRO 117 CO 0.47 -2.31 0.36 0.08 -0.33 0.00 0.00 177.00 175.27 2k3g s VAL 118 N -2.74 0.05 -0.09 3.83 1.01 -1.26 -5.15 120.40 116.05 2k3g s VAL 118 Ca 0.65 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 2k3g s VAL 118 Cb -0.21 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2k3g s VAL 118 CO 0.57 -0.24 0.57 -0.69 0.00 0.00 0.00 175.10 175.32 2k3g s VAL 119 N -3.94 5.12 -0.32 2.92 1.01 -1.26 -5.04 120.40 118.89 2k3g s VAL 119 Ca 0.15 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.09 2k3g s VAL 119 Cb 0.02 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2k3g s VAL 119 CO -0.01 0.30 0.62 -0.63 0.00 0.00 0.00 175.10 175.38 2k3g s ILE 120 N 0.67 4.93 0.38 2.22 1.01 -1.26 -5.06 121.20 124.09 2k3g s ILE 120 Ca 0.31 0.76 0.07 0.00 0.00 0.00 0.00 60.65 61.79 2k3g s ILE 120 Cb -0.16 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2k3g s ILE 120 CO 0.14 -0.19 0.40 -0.83 0.00 0.00 0.00 174.94 174.46 2k3g s GLY 121 N 1.69 1.89 0.41 6.18 0.00 -1.26 -5.07 107.32 111.15 2k3g s GLY 121 Ca 0.25 -1.70 -0.26 0.00 0.00 0.00 0.00 44.72 43.00 2k3g s GLY 121 CO 0.13 -1.56 1.37 -1.05 0.00 0.00 0.00 173.10 171.98 2k3g n PRO 122 N -1.56 2.23 -2.99 2.90 -0.02 -1.26 -4.97 135.00 129.32 2k3g n PRO 122 Ca 0.02 0.79 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 2k3g n PRO 122 Cb 0.60 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.16 3.90 0.55 6.00 -0.12 -1.26 -5.05 117.98 120.85 2k3g s PHE 123 Ca 0.58 1.62 -0.18 0.00 -0.05 0.00 0.00 56.93 58.91 2k3g s PHE 123 Cb -0.49 -2.76 -0.05 0.00 -0.63 0.00 0.00 43.02 39.08 2k3g s PHE 123 CO 0.60 0.52 1.07 -0.06 -0.05 0.00 0.00 175.22 177.30 2k3g s PHE 124 N -1.15 2.89 -1.55 3.49 0.40 -1.26 -4.92 117.98 115.88 2k3g s PHE 124 Ca 0.36 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 58.14 2k3g s PHE 124 Cb -0.23 -3.10 -0.03 0.00 0.51 0.00 0.00 43.02 40.17 2k3g s PHE 124 CO 0.26 -1.17 2.76 -0.40 0.70 0.00 0.00 175.22 177.37 2k3g n ASP 125 N -1.53 8.12 -2.20 1.36 5.75 -1.26 -4.92 116.55 121.88 2k3g n ASP 125 Ca 0.10 -2.72 -0.02 0.00 -0.01 0.00 0.00 54.79 52.14 2k3g n ASP 125 Cb 0.52 -1.53 0.01 0.00 -1.03 0.00 0.00 41.12 39.09 2k3g n ASP 125 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k3g n GLY 126 N 3.23 0.86 3.89 6.12 0.00 -1.26 -5.09 105.19 112.94 2k3g n GLY 126 Ca 0.72 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.31 5.16 0.04 1.61 1.04 -1.26 -5.05 113.70 113.93 2k3g s SER 127 Ca 0.05 1.02 -0.19 0.00 0.48 0.00 0.00 55.95 57.31 2k3g s SER 127 Cb -0.00 -1.73 -0.06 0.00 0.10 0.00 0.00 66.02 64.33 2k3g s SER 127 CO 0.03 -1.52 0.56 -0.63 0.98 0.00 0.00 173.24 172.67 2k3g s ILE 128 N -3.43 4.83 -2.47 -1.02 -1.09 -1.26 -5.19 121.20 111.56 2k3g s ILE 128 Ca 0.59 1.19 0.28 0.00 -2.23 0.00 0.00 60.65 60.48 2k3g s ILE 128 Cb -0.11 -3.89 0.57 0.00 -1.58 0.00 0.00 42.46 37.45 2k3g s ILE 128 CO 0.51 0.51 1.77 -1.14 -1.23 0.00 0.00 174.94 175.36