#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3g n PRO 29 N 0.00 2.67 -1.31 1.61 -0.02 -1.26 -4.88 135.00 131.81 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 -2.90 -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 7.23 2.24 -2.31 -0.52 1.02 -1.26 -4.88 120.64 122.16 2k3g n GLU 30 Ca 0.21 -2.13 -0.40 0.00 -0.02 0.00 0.00 57.16 54.82 2k3g n GLU 30 Cb 0.37 -2.00 -0.02 0.00 -0.02 0.00 0.00 31.44 29.78 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 4.32 -4.17 1.62 5.75 -1.26 -4.89 116.55 118.63 2k3g n ASP 31 Ca 0.44 -2.85 -0.39 0.00 -0.01 0.00 0.00 54.79 51.98 2k3g n ASP 31 Cb 0.57 -1.71 -0.09 0.00 -1.03 0.00 0.00 41.12 38.85 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 5.59 3.89 0.43 2.12 2.01 -1.26 -5.09 115.64 123.34 2k3g s THR 32 Ca 0.56 -2.04 -0.19 0.00 0.31 0.00 0.00 61.69 60.33 2k3g s THR 32 Cb 0.05 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 2k3g s THR 32 CO 0.07 -0.77 0.93 -0.76 -0.69 0.00 0.00 174.62 173.40 2k3g s LEU 33 N 1.08 3.89 0.15 4.42 1.43 -1.26 -4.94 118.68 123.45 2k3g s LEU 33 Ca 0.08 1.61 -0.31 0.00 -1.03 0.00 0.00 54.13 54.48 2k3g s LEU 33 Cb -0.24 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.41 2k3g s LEU 33 CO -0.03 -0.39 1.54 -2.84 0.23 0.00 0.00 176.35 174.87 2k3g s PRO 34 N -3.35 4.23 -0.40 1.29 0.02 -1.26 -4.64 135.00 130.90 2k3g s PRO 34 Ca 0.60 2.31 0.10 0.00 0.02 0.00 0.00 61.00 64.03 2k3g s PRO 34 Cb -0.09 -3.20 0.39 0.00 0.02 0.00 0.00 34.50 31.62 2k3g s PRO 34 CO 0.17 -0.59 1.29 1.97 -0.33 0.00 0.00 177.00 179.52 2k3g n PHE 35 N 4.07 -2.13 -3.41 6.54 -1.74 -1.25 -5.01 117.46 114.53 2k3g n PHE 35 Ca 0.14 -2.04 -0.00 0.00 -0.56 0.00 0.00 57.45 54.98 2k3g n PHE 35 Cb 0.39 1.40 -0.03 0.00 1.52 0.00 0.00 39.48 42.75 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 -3.11 -1.18 -0.18 5.98 2.96 -1.22 -4.92 118.68 117.01 2k3g s LEU 36 Ca 0.23 1.13 -0.10 0.00 -0.22 0.00 0.00 54.13 55.17 2k3g s LEU 36 Cb 0.40 2.08 -0.05 0.00 0.50 0.00 0.00 46.19 49.12 2k3g s LEU 36 CO -0.07 -0.24 0.14 -0.75 -1.32 0.00 0.00 176.35 174.10 2k3g s LYS 37 N 2.83 4.04 -0.03 1.98 2.20 -1.26 -1.83 119.74 127.67 2k3g s LYS 37 Ca 0.08 -0.18 0.06 0.00 -0.36 0.00 0.00 55.97 55.57 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 -0.68 3.82 -0.08 0.00 5.04 -1.26 -1.73 117.35 122.46 2k3g s TYR 39 Ca 0.11 1.73 0.02 0.00 -2.44 0.00 0.00 57.07 56.48 2k3g s TYR 39 Cb -0.10 -2.85 -0.02 0.00 0.35 0.00 0.00 41.96 39.33 2k3g s TYR 39 CO -0.00 0.37 -0.12 0.00 -1.34 0.00 0.00 175.55 174.46 2k3g s SER 41 N -0.42 2.73 0.00 0.00 0.01 -1.22 -4.86 113.70 109.94 2k3g s SER 41 Ca 0.05 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2k3g s SER 41 Cb -0.12 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2k3g s SER 41 CO 0.02 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2k3g n GLY 42 N 2.08 1.28 3.30 3.44 0.00 -1.26 -2.61 105.19 111.42 2k3g n GLY 42 Ca -0.16 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 2.80 -0.01 1.61 3.76 -1.26 -5.09 115.29 117.11 2k3g s HIS 43 Ca 0.00 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 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 -0.39 -0.02 0.00 -0.85 0.00 0.00 174.74 173.48 2k3g s PRO 45 N 0.34 2.18 0.55 0.00 0.04 -1.26 -4.86 135.00 131.98 2k3g s PRO 45 Ca -0.03 1.91 0.22 0.00 0.04 0.00 0.00 61.00 63.14 2k3g s PRO 45 Cb -0.06 -1.82 1.48 0.00 0.04 0.00 0.00 34.50 34.15 2k3g s PRO 45 CO -0.01 -1.84 2.18 -0.44 0.04 0.00 0.00 177.00 176.94 2k3g h ASP 46 N -0.07 0.00 -0.41 6.66 3.32 -2.02 -1.16 116.42 122.74 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 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.13 2k3g n ASP 47 N -4.24 3.07 -4.86 6.45 5.68 -1.26 -4.97 116.55 116.42 2k3g n ASP 47 Ca -0.03 -2.25 -0.31 0.00 -0.50 0.00 0.00 54.79 51.71 2k3g n ASP 47 Cb 0.10 -0.44 0.04 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 -0.04 2.12 0.00 -0.44 -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 20.24 2k3g s ALA 48 CO 0.16 -1.01 -0.20 0.42 0.00 0.00 0.00 175.76 175.13 2k3g s ILE 49 N -3.23 1.63 -1.59 0.00 1.01 -1.12 -4.76 121.20 113.15 2k3g s ILE 49 Ca 0.57 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 60.23 2k3g s ILE 49 Cb -0.12 -1.38 0.15 0.00 0.01 0.00 0.00 42.46 41.12 2k3g s ILE 49 CO 0.53 0.46 0.37 -0.46 0.00 0.00 0.00 174.94 175.84 2k3g n ASN 50 N 2.96 -0.85 -3.75 3.58 0.23 -1.26 -0.31 115.26 115.86 2k3g n ASN 50 Ca -0.17 -1.12 -0.26 0.00 -0.53 0.00 0.00 54.58 52.50 2k3g n ASN 50 Cb 0.53 -1.42 0.05 0.00 -2.08 0.00 0.00 39.78 36.85 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 -2.24 -4.04 -4.12 0.53 3.02 -1.26 -5.01 115.26 102.14 2k3g n ASN 51 Ca -0.02 -0.72 -0.08 0.00 -0.03 0.00 0.00 54.58 53.72 2k3g n ASN 51 Cb 0.47 -4.29 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2k3g s THR 52 N -3.40 0.23 0.09 3.41 -4.23 0.57 -2.76 115.64 109.55 2k3g s THR 52 Ca 0.43 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2k3g s THR 52 Cb -0.21 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 2k3g s THR 52 CO 0.80 -0.79 -0.05 0.00 -0.54 0.00 0.00 174.62 174.04 2k3g s ILE 54 N -3.74 3.73 0.04 0.00 1.01 -1.26 -1.52 121.20 119.46 2k3g s ILE 54 Ca 0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 2k3g s ILE 54 Cb 0.06 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2k3g s ILE 54 CO -0.06 0.53 0.09 0.28 0.00 0.00 0.00 174.94 175.78 2k3g s THR 55 N 0.00 0.14 -0.34 2.92 -1.32 -0.76 -5.02 115.64 111.26 2k3g s THR 55 Ca -0.00 -1.14 0.07 0.00 -1.21 0.00 0.00 61.69 59.42 2k3g s THR 55 Cb -0.13 -0.93 0.57 0.00 -1.51 0.00 0.00 72.50 70.50 2k3g s THR 55 CO 0.03 -0.63 1.63 -0.46 -2.21 0.00 0.00 174.62 172.98 2k3g n ASN 56 N 0.72 3.03 0.00 8.08 0.23 -1.26 -3.44 115.26 122.62 2k3g n ASN 56 Ca -0.19 -3.68 0.00 0.00 -0.53 0.00 0.00 54.58 50.18 2k3g n ASN 56 Cb 0.59 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 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 -1.07 1.10 3.23 4.83 0.00 -1.23 -4.50 105.19 107.54 2k3g n GLY 57 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 1.26 1.08 -0.01 1.61 3.76 -1.15 -4.80 115.29 117.04 2k3g s HIS 58 Ca 0.00 -1.32 -0.15 0.00 -0.15 0.00 0.00 55.06 53.44 2k3g s HIS 58 Cb 0.00 -0.50 -0.06 0.00 1.11 0.00 0.00 32.58 33.13 2k3g s HIS 58 CO 0.00 -0.66 0.42 0.00 -0.85 0.00 0.00 174.74 173.65 2k3g s PHE 60 N -0.95 1.34 -0.17 0.00 -0.12 -1.11 -2.32 117.98 114.65 2k3g s PHE 60 Ca 0.24 -0.44 -0.14 0.00 -0.05 0.00 0.00 56.93 56.53 2k3g s PHE 60 Cb -0.17 -0.75 0.05 0.00 -0.63 0.00 0.00 43.02 41.51 2k3g s PHE 60 CO 0.13 0.09 0.44 0.00 -0.05 0.00 0.00 175.22 175.82 2k3g s ALA 61 N -1.21 -1.08 0.04 1.99 0.00 -1.07 -2.19 121.76 118.23 2k3g s ALA 61 Ca 0.00 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.27 2k3g s ALA 61 Cb -0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 2k3g s ALA 61 CO 0.03 -0.22 -0.07 -1.50 0.00 0.00 0.00 175.76 174.00 2k3g s ILE 62 N 0.42 0.49 0.03 0.00 2.07 -0.45 -1.56 121.20 122.20 2k3g s ILE 62 Ca -0.02 -0.98 0.04 0.00 -1.41 0.00 0.00 60.65 58.28 2k3g s ILE 62 Cb -0.04 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 2k3g s ILE 62 CO -0.02 -0.35 -0.11 -0.51 -1.91 0.00 0.00 174.94 172.05 2k3g s ILE 63 N -1.27 0.86 -0.09 2.00 2.07 -0.42 -2.59 121.20 121.76 2k3g s ILE 63 Ca -0.09 -0.84 -0.13 0.00 -1.41 0.00 0.00 60.65 58.18 2k3g s ILE 63 Cb -0.09 -0.79 0.03 0.00 0.13 0.00 0.00 42.46 41.74 2k3g s ILE 63 CO 0.00 -0.03 0.34 -1.61 -1.91 0.00 0.00 174.94 171.73 2k3g s GLU 64 N -0.98 0.50 -0.30 3.50 2.02 -1.21 -1.98 118.70 120.25 2k3g s GLU 64 Ca -0.00 0.26 -0.11 0.00 0.02 0.00 0.00 54.97 55.14 2k3g s GLU 64 Cb -0.07 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 2k3g s GLU 64 CO 0.01 -0.10 0.18 -2.00 0.02 0.00 0.00 175.26 173.37 2k3g s GLU 65 N -0.33 3.65 0.77 1.61 -6.30 -1.20 -1.86 118.70 115.03 2k3g s GLU 65 Ca -0.05 -0.52 -0.06 0.00 -2.50 0.00 0.00 54.97 51.84 2k3g s GLU 65 Cb -0.03 -3.65 0.12 0.00 0.00 0.00 0.00 34.13 30.58 2k3g s GLU 65 CO 0.02 -0.31 1.08 0.16 0.02 0.00 0.00 175.26 176.22 2k3g s ASP 66 N 1.70 4.19 0.50 -1.70 1.47 -0.98 -4.80 116.67 117.06 2k3g s ASP 66 Ca 0.06 0.04 0.34 0.00 1.18 0.00 0.00 52.55 54.17 2k3g s ASP 66 Cb -0.17 -0.43 1.82 0.00 -0.34 0.00 0.00 42.92 43.81 2k3g s ASP 66 CO 0.09 -1.99 2.03 -2.24 0.68 0.00 0.00 175.17 173.75 2k3g h ASP 67 N -0.81 0.00 0.37 2.11 2.03 -1.98 0.05 116.42 118.17 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 -2.69 0.04 -0.56 4.15 6.02 -1.26 -4.97 117.38 118.12 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 29.81 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 1.48 0.75 3.88 1.08 0.00 0.00 -5.08 105.19 107.30 2k3g n GLY 69 Ca 0.05 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.18 3.62 -0.19 1.61 2.02 -1.26 -4.88 118.70 118.44 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 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 2k3g s GLU 70 CO 0.00 0.65 0.37 0.95 0.02 0.00 0.00 175.26 177.26 2k3g s THR 71 N -1.26 5.23 -0.31 3.63 -4.23 -1.26 -2.31 115.64 115.13 2k3g s THR 71 Ca 0.27 0.67 -0.14 0.00 -1.18 0.00 0.00 61.69 61.31 2k3g s THR 71 Cb -0.13 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 2k3g s THR 71 CO 0.15 0.29 0.31 0.42 -0.54 0.00 0.00 174.62 175.24 2k3g s THR 72 N 1.08 5.22 -0.19 3.99 -4.23 -0.78 -4.90 115.64 115.83 2k3g s THR 72 Ca 0.18 0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.73 2k3g s THR 72 Cb -0.14 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.94 2k3g s THR 72 CO 0.07 0.06 0.24 -0.76 -0.54 0.00 0.00 174.62 173.69 2k3g s LEU 73 N 1.93 4.19 -0.05 4.79 1.43 -1.26 -3.36 118.68 126.35 2k3g s LEU 73 Ca 0.11 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 2k3g s LEU 73 Cb -0.16 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.81 2k3g s LEU 73 CO 0.11 0.08 0.24 0.00 0.23 0.00 0.00 176.35 177.01 2k3g s ALA 74 N 0.71 -0.58 0.17 4.21 0.00 -1.07 -4.26 121.76 120.94 2k3g s ALA 74 Ca 0.13 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 2k3g s ALA 74 Cb -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2k3g s ALA 74 CO 0.03 -0.17 0.19 -1.54 0.00 0.00 0.00 175.76 174.27 2k3g s SER 75 N -0.57 0.14 0.00 0.00 1.04 -1.07 -1.34 113.70 111.90 2k3g s SER 75 Ca -0.07 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.25 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 0.02 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2k3g n GLY 76 N -0.21 0.56 3.76 7.32 0.00 -0.93 -3.45 105.19 112.24 2k3g n GLY 76 Ca -0.04 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 0.06 4.02 0.92 0.00 1.75 -0.86 -4.96 119.30 120.22 2k3g s MET 78 Ca 0.17 -0.21 -0.11 0.00 -1.25 0.00 0.00 55.69 54.29 2k3g s MET 78 Cb -0.13 -3.61 0.14 0.00 2.84 0.00 0.00 34.83 34.07 2k3g s MET 78 CO 0.05 -0.11 1.09 -1.59 -0.65 0.00 0.00 175.02 173.82 2k3g s LYS 79 N 1.55 1.07 0.50 4.11 -2.85 -1.26 -2.96 119.74 119.90 2k3g s LYS 79 Ca 0.09 1.02 -0.22 0.00 -1.00 0.00 0.00 55.97 55.87 2k3g s LYS 79 Cb -0.15 -1.77 -0.06 0.00 -2.06 0.00 0.00 37.83 33.79 2k3g s LYS 79 CO 0.08 -2.43 1.24 -0.47 0.10 0.00 0.00 175.35 173.87 2k3g s TYR 80 N -2.81 2.62 0.00 1.78 5.04 -1.26 -4.66 117.35 118.05 2k3g s TYR 80 Ca 0.64 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.75 2k3g s TYR 80 Cb -0.20 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.58 2k3g s TYR 80 CO 0.58 -2.07 0.00 0.39 -1.34 0.00 0.00 175.55 173.11 2k3g n GLU 81 N -0.80 0.00 0.00 4.97 1.02 -1.26 -5.04 120.64 119.53 2k3g n GLU 81 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2k3g n GLU 81 Cb 0.47 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 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 0.59 -0.15 3.15 0.62 0.00 -1.26 -5.16 105.19 102.97 2k3g n GLY 82 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -0.18 0.10 1.61 0.01 -1.26 -5.00 113.70 108.98 2k3g s SER 83 Ca 0.00 0.74 -0.12 0.00 1.31 0.00 0.00 55.95 57.88 2k3g s SER 83 Cb 0.00 1.35 -0.16 0.00 0.21 0.00 0.00 66.02 67.42 2k3g s SER 83 CO 0.00 -0.26 1.28 -2.24 0.41 0.00 0.00 173.24 172.44 2k3g h ASP 84 N 8.16 0.88 -0.01 2.44 2.03 -2.01 -3.40 116.42 124.50 2k3g h ASP 84 Ca -0.18 -0.62 -0.14 0.00 -0.73 0.00 0.00 57.03 55.36 2k3g h ASP 84 Cb 1.13 -0.26 -0.19 0.00 -0.83 0.00 0.00 39.33 39.18 2k3g h ASP 84 CO 0.18 1.42 -0.45 0.33 -1.03 0.00 0.00 179.24 179.68 2k3g n PHE 85 N -3.89 -0.10 -2.50 4.15 7.35 -1.26 -4.96 117.46 116.25 2k3g n PHE 85 Ca -0.08 -0.60 -0.40 0.00 -0.76 0.00 0.00 57.45 55.60 2k3g n PHE 85 Cb 0.79 0.42 -0.02 0.00 0.35 0.00 0.00 39.48 41.03 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 3.65 -0.37 -4.13 -0.21 -1.26 -4.72 119.66 112.56 2k3g s GLN 86 Ca 0.08 -1.54 0.06 0.00 0.02 0.00 0.00 55.36 53.98 2k3g s GLN 86 Cb 0.11 -5.43 0.47 0.00 1.00 0.00 0.00 33.01 29.17 2k3g s GLN 86 CO -0.04 -2.45 1.46 0.00 -2.12 0.00 0.00 175.29 172.14 2k3g n LYS 88 N -0.91 -0.36 -5.15 0.00 5.02 -1.26 -5.08 118.16 110.42 2k3g n LYS 88 Ca 0.44 -0.43 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2k3g n LYS 88 Cb 0.92 -0.29 -0.16 0.00 -0.02 0.00 0.00 35.03 35.48 2k3g n LYS 88 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2k3g s ASP 89 N -2.04 2.72 0.96 4.39 1.47 -1.26 -5.14 116.67 117.77 2k3g s ASP 89 Ca 0.16 -0.42 -0.15 0.00 1.18 0.00 0.00 52.55 53.32 2k3g s ASP 89 Cb -0.00 -0.32 0.18 0.00 -0.34 0.00 0.00 42.92 42.43 2k3g s ASP 89 CO 0.11 0.28 1.23 -0.44 0.68 0.00 0.00 175.17 177.04 2k3g s SER 90 N -0.53 3.11 -0.61 2.11 0.01 -1.26 -4.94 113.70 111.61 2k3g s SER 90 Ca 0.08 0.53 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 2k3g s SER 90 Cb -0.09 -0.77 0.01 0.00 0.21 0.00 0.00 66.02 65.38 2k3g s SER 90 CO -0.01 -2.76 2.84 -0.81 0.41 0.00 0.00 173.24 172.92 2k3g n PRO 91 N -3.83 2.83 -2.70 12.44 -0.04 -1.26 -4.15 135.00 138.29 2k3g n PRO 91 Ca 0.12 -2.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.20 2k3g n PRO 91 Cb 0.60 -2.25 0.11 0.00 -0.04 0.00 0.00 33.50 31.92 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 1.43 1.37 -1.34 0.54 4.81 -1.26 -5.15 118.16 118.56 2k3g n LYS 92 Ca 0.52 -1.82 -0.30 0.00 -0.87 0.00 0.00 58.31 55.83 2k3g n LYS 92 Cb 0.54 -0.09 0.11 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 -0.66 1.97 0.05 3.14 0.00 -1.26 -5.06 121.76 119.96 2k3g s ALA 93 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2k3g s ALA 93 Cb 0.42 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.36 2k3g s ALA 93 CO -0.10 -1.97 0.00 1.04 0.00 0.00 0.00 175.76 174.73 2k3g n GLN 94 N -3.63 1.13 -0.77 0.00 3.00 -1.26 -5.09 117.38 110.76 2k3g n GLN 94 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 2k3g n GLN 94 Cb 0.55 0.00 0.23 0.00 0.00 0.00 0.00 30.24 31.02 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2k3g s LEU 95 N 0.00 1.05 0.14 1.08 2.96 -1.26 -4.84 118.68 117.81 2k3g s LEU 95 Ca 0.00 1.38 -0.31 0.00 -0.22 0.00 0.00 54.13 54.98 2k3g s LEU 95 Cb 0.00 -3.37 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 2k3g s LEU 95 CO 0.00 -3.87 1.42 -0.13 -1.32 0.00 0.00 176.35 172.45 2k3g s ARG 96 N -4.64 4.30 0.19 1.98 0.52 -1.26 -4.91 118.95 115.13 2k3g s ARG 96 Ca 0.67 2.14 -0.23 0.00 -0.52 0.00 0.00 55.73 57.79 2k3g s ARG 96 Cb -0.23 -3.22 0.05 0.00 0.52 0.00 0.00 34.95 32.08 2k3g s ARG 96 CO 0.62 -0.45 0.72 -0.98 0.02 0.00 0.00 175.30 175.23 2k3g s ARG 97 N 0.91 1.44 0.07 3.54 1.70 -1.26 -3.26 118.95 122.09 2k3g s ARG 97 Ca 0.65 -0.69 0.06 0.00 -0.47 0.00 0.00 55.73 55.28 2k3g s ARG 97 Cb -0.38 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2k3g s ARG 97 CO 0.32 -0.65 -0.16 0.99 -1.08 0.00 0.00 175.30 174.72 2k3g s THR 98 N -3.71 1.30 -0.07 4.99 2.01 -0.84 -4.94 115.64 114.39 2k3g s THR 98 Ca 0.07 -1.30 -0.03 0.00 0.31 0.00 0.00 61.69 60.75 2k3g s THR 98 Cb -0.03 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.31 2k3g s THR 98 CO -0.03 -0.11 0.14 -0.51 -0.69 0.00 0.00 174.62 173.43 2k3g s ILE 99 N -1.13 -0.10 0.07 1.82 2.07 -1.26 -1.30 121.20 121.37 2k3g s ILE 99 Ca 0.01 0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.51 2k3g s ILE 99 Cb -0.09 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 2k3g s ILE 99 CO 0.03 0.10 0.07 -1.61 -1.91 0.00 0.00 174.94 171.61 2k3g s GLU 100 N 1.46 2.86 -0.05 3.50 0.41 -0.60 -5.00 118.70 121.28 2k3g s GLU 100 Ca -0.06 -0.68 -0.03 0.00 -0.41 0.00 0.00 54.97 53.79 2k3g s GLU 100 Cb -0.12 -2.72 0.03 0.00 -1.78 0.00 0.00 34.13 29.54 2k3g s GLU 100 CO -0.06 0.58 0.12 0.00 -0.49 0.00 0.00 175.26 175.41 2k3g n ARG 103 N 4.09 2.92 -4.09 0.00 0.63 -1.26 -1.51 116.66 117.43 2k3g n ARG 103 Ca -0.20 -3.72 -0.14 0.00 -0.92 0.00 0.00 57.85 52.87 2k3g n ARG 103 Cb 0.58 -2.27 -0.11 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 0.65 0.23 5.15 -4.23 -1.26 -5.02 115.64 106.04 2k3g s THR 104 Ca 0.53 -1.23 -0.31 0.00 -1.18 0.00 0.00 61.69 59.50 2k3g s THR 104 Cb 0.44 -0.82 -0.11 0.00 1.34 0.00 0.00 72.50 73.34 2k3g s THR 104 CO -0.31 -0.42 1.62 0.54 -0.54 0.00 0.00 174.62 175.50 2k3g s ASN 105 N -1.80 6.45 -1.17 3.99 2.20 -1.26 -1.71 114.94 121.63 2k3g s ASN 105 Ca -0.06 2.82 0.00 0.00 -0.94 0.00 0.00 52.86 54.68 2k3g s ASN 105 Cb -0.08 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.56 2k3g s ASN 105 CO 0.00 -0.89 0.00 0.18 -2.94 0.00 0.00 177.10 173.45 2k3g n LEU 106 N 3.21 -1.09 0.30 3.54 4.77 -0.79 -4.82 117.00 122.12 2k3g n LEU 106 Ca 0.12 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.51 2k3g n LEU 106 Cb 0.37 -2.09 0.96 0.00 -2.33 0.00 0.00 43.42 40.33 2k3g n LEU 106 CO 0.63 -0.31 1.09 0.00 -1.33 0.00 0.00 177.39 177.46 2k3g n ASN 108 N -3.34 0.60 -0.28 0.00 4.13 -1.26 -4.05 115.26 111.07 2k3g n ASN 108 Ca -0.02 0.25 -0.01 0.00 1.68 0.00 0.00 54.58 56.48 2k3g n ASN 108 Cb 0.16 0.72 0.17 0.00 -1.54 0.00 0.00 39.78 39.29 2k3g n ASN 108 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2k3g h GLN 109 N 0.00 1.12 -0.62 3.52 4.15 -1.76 -2.04 115.11 119.49 2k3g h GLN 109 Ca -0.11 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2k3g h GLN 109 Cb 1.32 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2k3g h GLN 109 CO 0.02 0.78 0.00 0.66 -1.93 0.00 0.00 178.83 178.36 2k3g n TYR 110 N -4.38 1.63 -3.88 3.99 4.01 -1.25 -4.92 117.16 112.36 2k3g n TYR 110 Ca 0.09 -0.65 -0.35 0.00 -0.16 0.00 0.00 57.90 56.83 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 -2.11 3.22 -0.26 7.72 2.96 -0.77 -5.08 118.68 124.36 2k3g s LEU 111 Ca 0.52 -0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 53.68 2k3g s LEU 111 Cb 0.35 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2k3g s LEU 111 CO 0.22 -0.09 0.34 -1.58 -1.32 0.00 0.00 176.35 173.91 2k3g s GLN 112 N 1.44 4.02 0.43 1.98 2.00 -1.26 -4.94 119.66 123.33 2k3g s GLN 112 Ca 0.03 -0.02 -0.24 0.00 -2.00 0.00 0.00 55.36 53.14 2k3g s GLN 112 Cb -0.16 -3.64 -0.08 0.00 0.80 0.00 0.00 33.01 29.93 2k3g s GLN 112 CO -0.02 -0.22 1.17 -1.25 -0.50 0.00 0.00 175.29 174.47 2k3g s PRO 113 N 1.91 3.90 0.02 1.67 0.04 -1.26 -5.06 135.00 136.22 2k3g s PRO 113 Ca 0.14 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2k3g s PRO 113 Cb -0.16 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 2k3g s PRO 113 CO 0.10 -0.44 -0.03 0.95 0.04 0.00 0.00 177.00 177.61 2k3g s THR 114 N -1.48 0.16 0.63 1.26 -4.23 -1.26 -5.01 115.64 105.71 2k3g s THR 114 Ca 0.60 -0.68 -0.15 0.00 -1.18 0.00 0.00 61.69 60.28 2k3g s THR 114 Cb -0.30 -0.25 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 2k3g s THR 114 CO 0.37 -0.33 1.08 -0.76 -0.54 0.00 0.00 174.62 174.44 2k3g s LEU 115 N -1.05 3.44 0.54 4.79 1.43 -1.26 -4.80 118.68 121.76 2k3g s LEU 115 Ca -0.10 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 54.69 2k3g s LEU 115 Cb -0.07 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.55 2k3g s LEU 115 CO -0.01 -1.40 1.17 -2.16 0.23 0.00 0.00 176.35 174.19 2k3g s PRO 116 N -4.11 3.34 0.33 1.29 0.04 -1.26 -4.97 135.00 129.67 2k3g s PRO 116 Ca 0.65 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 2k3g s PRO 116 Cb -0.18 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2k3g s PRO 116 CO 0.40 -0.89 1.26 -1.25 0.04 0.00 0.00 177.00 176.56 2k3g s PRO 117 N -3.12 4.36 0.73 0.56 0.04 -1.26 -5.02 135.00 131.28 2k3g s PRO 117 Ca 0.72 2.12 -0.11 0.00 0.04 0.00 0.00 61.00 63.76 2k3g s PRO 117 Cb -0.28 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.25 2k3g s PRO 117 CO 0.32 -0.15 1.11 0.08 0.04 0.00 0.00 177.00 178.40 2k3g s VAL 118 N -1.17 3.13 -0.16 -0.36 1.01 -1.26 -5.03 120.40 116.56 2k3g s VAL 118 Ca 0.49 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.62 2k3g s VAL 118 Cb -0.38 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2k3g s VAL 118 CO 0.50 -0.47 0.63 -0.69 0.00 0.00 0.00 175.10 175.07 2k3g s VAL 119 N -3.41 5.04 -0.30 2.92 1.01 -1.26 -5.04 120.40 119.37 2k3g s VAL 119 Ca 0.59 1.22 -0.19 0.00 0.00 0.00 0.00 61.98 63.60 2k3g s VAL 119 Cb -0.11 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2k3g s VAL 119 CO 0.51 0.16 0.57 -0.63 0.00 0.00 0.00 175.10 175.72 2k3g s ILE 120 N 1.53 4.99 0.00 2.22 1.01 -1.26 -4.64 121.20 125.05 2k3g s ILE 120 Ca 0.30 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2k3g s ILE 120 Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2k3g s ILE 120 CO 0.12 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2k3g n GLY 121 N 4.47 0.73 2.38 6.18 0.00 -1.26 -5.11 105.19 112.59 2k3g n GLY 121 Ca -0.03 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 -3.82 -3.26 1.61 -0.02 -1.26 -5.06 135.00 123.20 2k3g n PRO 122 Ca 0.00 -1.03 -0.05 0.00 -2.02 0.00 0.00 63.50 60.40 2k3g n PRO 122 Cb 0.00 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.81 -1.25 0.59 6.00 5.36 -1.26 -5.15 117.98 120.46 2k3g s PHE 123 Ca 0.47 0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 56.49 2k3g s PHE 123 Cb -0.08 0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.59 2k3g s PHE 123 CO 0.40 -1.06 1.07 -0.06 -1.46 0.00 0.00 175.22 174.10 2k3g s PHE 124 N 2.15 2.90 0.06 10.12 0.08 -1.26 -4.98 117.98 127.05 2k3g s PHE 124 Ca 0.13 1.53 -0.01 0.00 0.12 0.00 0.00 56.93 58.69 2k3g s PHE 124 Cb -0.10 -3.06 -0.27 0.00 -0.57 0.00 0.00 43.02 39.02 2k3g s PHE 124 CO -0.17 -1.22 1.06 -0.44 -0.10 0.00 0.00 175.22 174.36 2k3g h ASP 125 N 0.51 0.33 -4.36 1.36 3.32 -2.08 -3.50 116.42 112.00 2k3g h ASP 125 Ca -0.47 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.19 2k3g h ASP 125 Cb 1.23 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2k3g h ASP 125 CO 0.57 1.31 0.00 0.61 -1.72 0.00 0.00 179.24 180.01 2k3g n GLY 126 N 1.54 -0.82 3.86 2.75 0.00 -1.26 -4.97 105.19 106.30 2k3g n GLY 126 Ca -0.10 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.97 6.38 -0.02 1.61 0.01 -1.26 -5.05 113.70 112.40 2k3g s SER 127 Ca 0.00 1.42 -0.19 0.00 1.31 0.00 0.00 55.95 58.49 2k3g s SER 127 Cb 0.00 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2k3g s SER 127 CO 0.00 -0.73 0.55 -0.63 0.41 0.00 0.00 173.24 172.85 2k3g s ILE 128 N -2.92 4.97 -2.48 1.44 1.01 -1.26 -5.31 121.20 116.65 2k3g s ILE 128 Ca 0.56 1.15 0.28 0.00 0.00 0.00 0.00 60.65 62.64 2k3g s ILE 128 Cb -0.11 -3.89 0.56 0.00 0.01 0.00 0.00 42.46 39.04 2k3g s ILE 128 CO 0.44 0.42 1.76 -1.14 0.00 0.00 0.00 174.94 176.43