#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3g n PRO 29 N 0.00 2.68 -1.32 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 7.10 2.24 -2.46 -0.52 1.02 -1.26 -4.88 120.64 121.88 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 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 2k3g n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k3g s ASP 31 N 0.30 6.37 -0.72 1.62 1.01 -1.26 -4.77 116.67 119.21 2k3g s ASP 31 Ca 0.52 -2.06 0.00 0.00 0.71 0.00 0.00 52.55 51.72 2k3g s ASP 31 Cb 0.35 -2.58 0.37 0.00 1.01 0.00 0.00 42.92 42.07 2k3g s ASP 31 CO -0.16 -1.65 1.73 0.41 0.21 0.00 0.00 175.17 175.71 2k3g n THR 32 N 6.81 3.28 -2.60 -1.27 -1.04 -1.26 -5.04 114.28 113.16 2k3g n THR 32 Ca 0.45 -4.55 -0.33 0.00 -2.04 0.00 0.00 64.05 57.57 2k3g n THR 32 Cb 0.47 -1.26 -0.05 0.00 -1.82 0.00 0.00 70.33 67.68 2k3g n THR 32 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k3g s LEU 33 N -3.91 3.83 0.02 -4.42 1.43 -1.26 -4.87 118.68 109.50 2k3g s LEU 33 Ca 0.50 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 2k3g s LEU 33 Cb 0.42 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 2k3g s LEU 33 CO -0.34 -0.61 1.74 -2.84 0.23 0.00 0.00 176.35 174.53 2k3g s PRO 34 N -3.39 4.17 -0.41 1.29 0.02 -1.26 -4.62 135.00 130.80 2k3g s PRO 34 Ca 0.64 2.37 0.09 0.00 0.02 0.00 0.00 61.00 64.11 2k3g s PRO 34 Cb -0.12 -3.86 0.37 0.00 0.02 0.00 0.00 34.50 30.91 2k3g s PRO 34 CO 0.20 -0.83 1.25 1.97 -0.33 0.00 0.00 177.00 179.25 2k3g n PHE 35 N 6.57 -2.33 -3.41 6.54 -1.74 -1.25 -5.01 117.46 116.84 2k3g n PHE 35 Ca 0.17 -2.09 -0.00 0.00 -0.56 0.00 0.00 57.45 54.97 2k3g n PHE 35 Cb 0.41 1.45 -0.04 0.00 1.52 0.00 0.00 39.48 42.83 2k3g n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2k3g s LEU 36 N -2.89 -1.16 -0.18 5.98 2.96 -1.22 -4.95 118.68 117.22 2k3g s LEU 36 Ca 0.23 1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 55.13 2k3g s LEU 36 Cb 0.37 2.04 -0.05 0.00 0.50 0.00 0.00 46.19 49.05 2k3g s LEU 36 CO -0.07 -0.25 0.14 -0.75 -1.32 0.00 0.00 176.35 174.11 2k3g s LYS 37 N 2.82 4.08 -0.02 1.98 2.20 -1.26 -1.68 119.74 127.85 2k3g s LYS 37 Ca 0.08 -0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.57 2k3g s LYS 37 Cb -0.14 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2k3g s LYS 37 CO -0.19 0.37 -0.22 0.00 -0.36 0.00 0.00 175.35 174.96 2k3g s TYR 39 N -0.67 3.57 -0.06 0.00 5.04 -1.26 -1.57 117.35 122.39 2k3g s TYR 39 Ca 0.11 1.56 0.04 0.00 -2.44 0.00 0.00 57.07 56.34 2k3g s TYR 39 Cb -0.10 -2.77 -0.02 0.00 0.35 0.00 0.00 41.96 39.42 2k3g s TYR 39 CO -0.00 0.17 -0.18 0.00 -1.34 0.00 0.00 175.55 174.20 2k3g s SER 41 N -0.38 2.72 0.00 0.00 0.15 -1.24 -4.85 113.70 110.10 2k3g s SER 41 Ca 0.04 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2k3g s SER 41 Cb -0.12 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 2k3g s SER 41 CO 0.02 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2k3g n GLY 42 N 3.05 1.62 3.34 9.45 0.00 -1.26 -3.16 105.19 118.23 2k3g n GLY 42 Ca -0.18 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 2.92 -0.01 1.61 3.76 -1.26 -5.10 115.29 117.21 2k3g s HIS 43 Ca 0.00 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.12 2k3g s HIS 43 Cb 0.00 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.69 2k3g s HIS 43 CO 0.00 -0.40 -0.02 0.00 -0.85 0.00 0.00 174.74 173.47 2k3g s PRO 45 N 0.26 2.31 0.54 0.00 0.04 -1.26 -4.87 135.00 132.02 2k3g s PRO 45 Ca -0.02 1.96 0.21 0.00 0.04 0.00 0.00 61.00 63.19 2k3g s PRO 45 Cb -0.05 -1.83 1.47 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 0.14 0.00 -0.41 6.66 3.32 -2.02 -1.16 116.42 122.94 2k3g h ASP 46 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 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 3.08 -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 39.68 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 2.85 -0.03 2.12 0.00 -0.44 -5.07 121.76 119.50 2k3g s ALA 48 Ca 0.32 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.18 2k3g s ALA 48 Cb 0.20 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2k3g s ALA 48 CO 0.16 -1.06 -0.19 0.42 0.00 0.00 0.00 175.76 175.09 2k3g s ILE 49 N -3.21 1.56 -1.59 0.00 1.01 -1.12 -4.77 121.20 113.09 2k3g s ILE 49 Ca 0.57 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 2k3g s ILE 49 Cb -0.12 -1.32 0.15 0.00 0.01 0.00 0.00 42.46 41.18 2k3g s ILE 49 CO 0.54 0.44 0.37 -0.46 0.00 0.00 0.00 174.94 175.82 2k3g n ASN 50 N 2.92 -0.84 -3.77 3.58 0.23 -1.26 -0.26 115.26 115.86 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 0.04 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 -4.11 -4.12 0.53 5.03 -1.26 -4.99 115.26 104.10 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 -4.26 -0.10 0.00 -1.02 0.00 0.00 39.78 34.88 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 0.30 0.10 3.41 -4.23 0.64 -2.47 115.64 109.99 2k3g s THR 52 Ca 0.45 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2k3g s THR 52 Cb -0.22 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 2k3g s THR 52 CO 0.80 -0.89 -0.03 0.00 -0.54 0.00 0.00 174.62 173.96 2k3g s ILE 54 N -3.78 4.16 0.02 0.00 1.01 -1.26 -1.52 121.20 119.84 2k3g s ILE 54 Ca 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 2k3g s ILE 54 Cb 0.07 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 2k3g s ILE 54 CO -0.04 0.50 -0.03 0.28 0.00 0.00 0.00 174.94 175.65 2k3g s THR 55 N 0.15 0.13 -0.37 2.92 -1.32 -0.68 -5.01 115.64 111.47 2k3g s THR 55 Ca 0.00 -1.05 0.06 0.00 -1.21 0.00 0.00 61.69 59.49 2k3g s THR 55 Cb -0.13 -0.47 0.57 0.00 -1.51 0.00 0.00 72.50 70.95 2k3g s THR 55 CO 0.02 -0.58 1.65 -0.46 -2.21 0.00 0.00 174.62 173.04 2k3g n ASN 56 N 1.35 3.16 0.00 8.08 0.23 -1.26 -3.39 115.26 123.44 2k3g n ASN 56 Ca -0.22 -3.73 0.00 0.00 -0.53 0.00 0.00 54.58 50.10 2k3g n ASN 56 Cb 0.56 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 2k3g n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3g n GLY 57 N -1.12 0.92 3.52 4.83 0.00 -1.24 -4.52 105.19 107.58 2k3g n GLY 57 Ca 0.45 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 2k3g n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 58 N 0.58 0.62 -0.03 1.61 3.76 -1.18 -4.90 115.29 115.74 2k3g s HIS 58 Ca 0.00 -0.94 -0.13 0.00 -0.15 0.00 0.00 55.06 53.84 2k3g s HIS 58 Cb 0.00 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.68 2k3g s HIS 58 CO 0.00 -0.99 0.36 0.00 -0.85 0.00 0.00 174.74 173.26 2k3g s PHE 60 N -0.94 1.39 -0.11 0.00 -0.12 -1.11 -2.45 117.98 114.64 2k3g s PHE 60 Ca 0.22 -0.48 -0.15 0.00 -0.05 0.00 0.00 56.93 56.47 2k3g s PHE 60 Cb -0.16 -0.76 0.04 0.00 -0.63 0.00 0.00 43.02 41.51 2k3g s PHE 60 CO 0.11 0.12 0.39 0.00 -0.05 0.00 0.00 175.22 175.79 2k3g s ALA 61 N -1.49 -0.98 0.00 1.99 0.00 -1.05 -2.33 121.76 117.91 2k3g s ALA 61 Ca 0.03 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 2k3g s ALA 61 Cb -0.09 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 2k3g s ALA 61 CO 0.03 -0.22 0.11 -1.50 0.00 0.00 0.00 175.76 174.18 2k3g s ILE 62 N -0.30 0.08 0.02 0.00 2.07 -0.63 -1.52 121.20 120.92 2k3g s ILE 62 Ca -0.04 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.53 2k3g s ILE 62 Cb -0.03 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 2k3g s ILE 62 CO 0.02 -0.37 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.11 2k3g s ILE 63 N -1.31 0.43 -0.05 2.00 2.07 -0.26 -2.31 121.20 121.77 2k3g s ILE 63 Ca -0.14 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 58.34 2k3g s ILE 63 Cb -0.08 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.09 2k3g s ILE 63 CO 0.01 -0.16 0.27 -1.61 -1.91 0.00 0.00 174.94 171.54 2k3g s GLU 64 N -0.87 0.50 -0.31 3.50 2.02 -1.20 -1.66 118.70 120.67 2k3g s GLU 64 Ca -0.05 0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.84 2k3g s GLU 64 Cb -0.06 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 2k3g s GLU 64 CO 0.00 -0.11 0.19 -2.00 0.02 0.00 0.00 175.26 173.36 2k3g s GLU 65 N -0.73 3.60 0.76 1.61 -6.30 -1.14 -1.94 118.70 114.56 2k3g s GLU 65 Ca -0.08 -0.55 -0.06 0.00 -2.50 0.00 0.00 54.97 51.78 2k3g s GLU 65 Cb -0.04 -3.66 0.12 0.00 0.00 0.00 0.00 34.13 30.55 2k3g s GLU 65 CO 0.02 -0.34 1.06 0.16 0.02 0.00 0.00 175.26 176.18 2k3g s ASP 66 N 1.70 4.23 0.48 -1.70 -4.77 -1.02 -4.75 116.67 110.85 2k3g s ASP 66 Ca 0.06 0.01 0.32 0.00 -3.30 0.00 0.00 52.55 49.64 2k3g s ASP 66 Cb -0.17 -0.41 1.75 0.00 -1.09 0.00 0.00 42.92 43.00 2k3g s ASP 66 CO 0.09 -1.95 1.99 0.44 0.70 0.00 0.00 175.17 176.44 2k3g h ASP 67 N -0.77 0.00 0.47 2.11 3.32 -1.98 0.36 116.42 119.93 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 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 0.45 0.00 -0.69 0.00 -1.72 0.00 0.00 179.24 177.29 2k3g n GLN 68 N -2.64 0.10 -0.50 3.56 6.02 -1.26 -4.97 117.38 117.68 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 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 1.45 0.77 3.88 1.08 0.00 0.12 -5.08 105.19 107.41 2k3g n GLY 69 Ca 0.04 -0.49 -0.35 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 -1.05 3.58 -0.22 1.61 2.02 -1.26 -4.89 118.70 118.49 2k3g s GLU 70 Ca 0.00 -0.06 -0.15 0.00 0.02 0.00 0.00 54.97 54.78 2k3g s GLU 70 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2k3g s GLU 70 CO 0.00 0.67 0.38 0.95 0.02 0.00 0.00 175.26 177.28 2k3g s THR 71 N -1.26 5.20 -0.36 3.63 -4.23 -1.26 -2.43 115.64 114.93 2k3g s THR 71 Ca 0.26 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.28 2k3g s THR 71 Cb -0.13 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 69.99 2k3g s THR 71 CO 0.15 0.24 0.35 0.42 -0.54 0.00 0.00 174.62 175.23 2k3g s THR 72 N 1.44 5.19 -0.19 3.99 -4.23 -0.82 -4.88 115.64 116.13 2k3g s THR 72 Ca 0.18 -0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 2k3g s THR 72 Cb -0.15 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 2k3g s THR 72 CO 0.08 -0.16 0.25 -0.76 -0.54 0.00 0.00 174.62 173.48 2k3g s LEU 73 N 1.95 4.20 -0.01 4.79 1.02 -1.26 -3.27 118.68 126.09 2k3g s LEU 73 Ca 0.10 0.37 -0.06 0.00 0.02 0.00 0.00 54.13 54.55 2k3g s LEU 73 Cb -0.17 -2.28 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2k3g s LEU 73 CO 0.12 0.08 0.13 0.00 0.02 0.00 0.00 176.35 176.70 2k3g s ALA 74 N 0.69 -0.31 0.16 4.21 0.00 -0.98 -4.45 121.76 121.07 2k3g s ALA 74 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 2k3g s ALA 74 Cb -0.13 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2k3g s ALA 74 CO 0.03 -0.18 0.18 -1.54 0.00 0.00 0.00 175.76 174.25 2k3g s SER 75 N -1.08 0.16 0.00 0.00 1.04 -1.19 -1.61 113.70 111.02 2k3g s SER 75 Ca -0.12 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2k3g s SER 75 Cb -0.06 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2k3g s SER 75 CO 0.01 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2k3g n GLY 76 N -0.18 0.55 3.76 7.32 0.00 -0.98 -3.66 105.19 111.99 2k3g n GLY 76 Ca -0.05 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 0.13 4.02 0.95 0.00 1.75 -0.90 -4.96 119.30 120.29 2k3g s MET 78 Ca 0.16 -0.18 -0.12 0.00 -1.25 0.00 0.00 55.69 54.31 2k3g s MET 78 Cb -0.13 -3.61 0.16 0.00 2.84 0.00 0.00 34.83 34.09 2k3g s MET 78 CO 0.04 -0.12 1.09 -1.59 -0.65 0.00 0.00 175.02 173.79 2k3g s LYS 79 N 1.59 0.78 0.09 4.11 -2.85 -1.26 -3.13 119.74 119.07 2k3g s LYS 79 Ca 0.10 0.92 -0.31 0.00 -1.00 0.00 0.00 55.97 55.68 2k3g s LYS 79 Cb -0.15 -1.75 -0.09 0.00 -2.06 0.00 0.00 37.83 33.79 2k3g s LYS 79 CO 0.09 -2.60 1.62 1.52 0.10 0.00 0.00 175.35 176.08 2k3g s TYR 80 N -2.80 2.59 0.00 1.78 -0.85 -1.26 -4.67 117.35 112.13 2k3g s TYR 80 Ca 0.65 0.42 0.00 0.00 -0.52 0.00 0.00 57.07 57.62 2k3g s TYR 80 Cb -0.20 -3.94 0.00 0.00 0.38 0.00 0.00 41.96 38.20 2k3g s TYR 80 CO 0.59 -3.68 0.00 0.39 -1.52 0.00 0.00 175.55 171.33 2k3g n GLU 81 N 5.21 0.00 0.00 -3.49 1.02 -1.26 -5.06 120.64 117.06 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 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 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 3.08 2.50 3.69 0.62 0.00 -1.26 -5.11 105.19 108.71 2k3g n GLY 82 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.08 6.87 0.05 1.61 1.04 -1.26 -4.93 113.70 117.01 2k3g s SER 83 Ca 0.00 2.08 -0.16 0.00 0.48 0.00 0.00 55.95 58.35 2k3g s SER 83 Cb 0.00 -2.56 -0.23 0.00 0.10 0.00 0.00 66.02 63.33 2k3g s SER 83 CO 0.00 -0.70 1.16 -0.78 0.98 0.00 0.00 173.24 173.90 2k3g h ASP 84 N 7.80 0.79 -0.04 7.02 3.58 -2.02 -3.41 116.42 130.14 2k3g h ASP 84 Ca -0.37 -0.74 -0.16 0.00 0.42 0.00 0.00 57.03 56.17 2k3g h ASP 84 Cb 1.18 -0.24 -0.19 0.00 1.72 0.00 0.00 39.33 41.79 2k3g h ASP 84 CO 0.90 1.43 -0.45 0.33 -2.88 0.00 0.00 179.24 178.57 2k3g n PHE 85 N -3.98 -0.62 -2.37 0.28 7.35 -1.26 -5.02 117.46 111.85 2k3g n PHE 85 Ca -0.11 -1.09 -0.37 0.00 -0.76 0.00 0.00 57.45 55.12 2k3g n PHE 85 Cb 0.81 0.73 -0.03 0.00 0.35 0.00 0.00 39.48 41.35 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 -0.33 3.33 -0.17 -4.13 -0.21 -1.26 -4.63 119.66 112.27 2k3g s GLN 86 Ca 0.10 -1.40 0.14 0.00 0.02 0.00 0.00 55.36 54.22 2k3g s GLN 86 Cb 0.24 -5.37 0.41 0.00 1.00 0.00 0.00 33.01 29.29 2k3g s GLN 86 CO -0.07 -2.86 1.21 0.00 -2.12 0.00 0.00 175.29 171.44 2k3g n LYS 88 N -0.82 -0.32 -3.53 0.00 5.02 -1.26 -4.84 118.16 112.41 2k3g n LYS 88 Ca 0.16 -1.34 -0.10 0.00 -2.02 0.00 0.00 58.31 55.01 2k3g n LYS 88 Cb 0.77 -0.60 -0.10 0.00 -0.02 0.00 0.00 35.03 35.09 2k3g n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k3g s ASP 89 N -3.56 0.16 0.68 4.39 1.01 -1.26 -5.09 116.67 112.99 2k3g s ASP 89 Ca 0.40 0.54 -0.11 0.00 0.71 0.00 0.00 52.55 54.10 2k3g s ASP 89 Cb -0.02 1.08 -0.00 0.00 1.01 0.00 0.00 42.92 44.99 2k3g s ASP 89 CO 0.28 -0.27 1.05 -0.44 0.21 0.00 0.00 175.17 176.01 2k3g s SER 90 N 2.53 5.58 -0.95 0.27 0.01 -1.26 -4.93 113.70 114.95 2k3g s SER 90 Ca 0.05 1.53 -0.07 0.00 1.31 0.00 0.00 55.95 58.78 2k3g s SER 90 Cb -0.14 -2.45 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 2k3g s SER 90 CO -0.13 -1.31 2.96 -0.81 0.41 0.00 0.00 173.24 174.37 2k3g n PRO 91 N -3.04 3.27 -1.48 12.44 -0.04 -1.26 -3.65 135.00 141.24 2k3g n PRO 91 Ca 0.07 -2.22 -0.04 0.00 -0.04 0.00 0.00 63.50 61.27 2k3g n PRO 91 Cb 0.54 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 2k3g n PRO 91 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2k3g n LYS 92 N 2.41 0.34 -0.23 0.54 2.85 -1.26 -5.16 118.16 117.65 2k3g n LYS 92 Ca 0.61 -1.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.55 2k3g n LYS 92 Cb 0.46 0.30 0.00 0.00 -0.65 0.00 0.00 35.03 35.14 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3g n ALA 93 N -0.24 0.00 -1.00 0.58 0.00 -1.24 -5.08 120.51 113.53 2k3g n ALA 93 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k3g n ALA 93 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.99 -1.20 -0.81 0.00 7.27 -1.26 -4.98 117.38 115.41 2k3g n GLN 94 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 2k3g n GLN 94 Cb 0.00 0.00 0.19 0.00 2.41 0.00 0.00 30.24 32.84 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 0.00 1.79 0.28 1.69 2.96 -1.26 -4.81 118.68 119.33 2k3g s LEU 95 Ca 0.00 1.66 -0.29 0.00 -0.22 0.00 0.00 54.13 55.28 2k3g s LEU 95 Cb 0.00 -3.85 -0.10 0.00 0.50 0.00 0.00 46.19 42.74 2k3g s LEU 95 CO 0.00 -3.42 1.31 -0.13 -1.32 0.00 0.00 176.35 172.79 2k3g s ARG 96 N -4.67 4.38 0.19 1.98 0.52 -1.26 -4.85 118.95 115.24 2k3g s ARG 96 Ca 0.66 2.15 -0.23 0.00 -0.52 0.00 0.00 55.73 57.79 2k3g s ARG 96 Cb -0.22 -3.12 0.05 0.00 0.52 0.00 0.00 34.95 32.18 2k3g s ARG 96 CO 0.60 -0.20 0.72 -0.98 0.02 0.00 0.00 175.30 175.46 2k3g s ARG 97 N -1.12 1.44 0.07 3.54 1.70 -1.26 -2.87 118.95 120.45 2k3g s ARG 97 Ca 0.52 -0.69 0.06 0.00 -0.47 0.00 0.00 55.73 55.15 2k3g s ARG 97 Cb -0.39 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2k3g s ARG 97 CO 0.47 -0.65 -0.16 0.99 -1.08 0.00 0.00 175.30 174.86 2k3g s THR 98 N -3.71 1.31 0.04 4.99 2.01 -0.67 -4.99 115.64 114.63 2k3g s THR 98 Ca 0.07 -1.32 -0.04 0.00 0.31 0.00 0.00 61.69 60.70 2k3g s THR 98 Cb -0.03 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2k3g s THR 98 CO -0.03 -0.12 0.07 -0.51 -0.69 0.00 0.00 174.62 173.34 2k3g s ILE 99 N -1.16 0.15 0.02 1.82 2.07 -1.26 -1.10 121.20 121.74 2k3g s ILE 99 Ca 0.01 -1.23 -0.06 0.00 -1.41 0.00 0.00 60.65 57.97 2k3g s ILE 99 Cb -0.10 -1.01 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 2k3g s ILE 99 CO 0.03 -0.68 0.10 -1.61 -1.91 0.00 0.00 174.94 170.87 2k3g s GLU 100 N -2.90 0.50 -0.02 3.50 2.02 -0.57 -5.01 118.70 116.20 2k3g s GLU 100 Ca -0.02 -0.55 -0.03 0.00 0.02 0.00 0.00 54.97 54.39 2k3g s GLU 100 Cb 0.01 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.44 2k3g s GLU 100 CO -0.06 -0.12 0.07 0.00 0.02 0.00 0.00 175.26 175.17 2k3g n ARG 103 N 3.07 3.09 -3.95 0.00 0.63 -1.26 -1.87 116.66 116.36 2k3g n ARG 103 Ca -0.15 -3.87 -0.09 0.00 -0.92 0.00 0.00 57.85 52.82 2k3g n ARG 103 Cb 0.56 -2.27 -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 -5.06 0.12 0.24 5.15 -4.23 -1.26 -5.04 115.64 105.57 2k3g s THR 104 Ca 0.54 -0.99 -0.31 0.00 -1.18 0.00 0.00 61.69 59.75 2k3g s THR 104 Cb 0.44 -0.57 -0.11 0.00 1.34 0.00 0.00 72.50 73.60 2k3g s THR 104 CO -0.18 -0.55 1.61 0.54 -0.54 0.00 0.00 174.62 175.50 2k3g s ASN 105 N -1.74 6.45 -1.19 3.99 4.22 -1.26 -1.79 114.94 123.62 2k3g s ASN 105 Ca -0.11 2.83 0.00 0.00 -2.14 0.00 0.00 52.86 53.44 2k3g s ASN 105 Cb -0.06 -2.62 0.00 0.00 1.28 0.00 0.00 41.25 39.86 2k3g s ASN 105 CO -0.02 -0.89 0.00 0.18 -2.04 0.00 0.00 177.10 174.33 2k3g n LEU 106 N 3.06 -1.11 0.30 3.54 4.77 -0.78 -4.82 117.00 121.95 2k3g n LEU 106 Ca 0.11 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.50 2k3g n LEU 106 Cb 0.37 -2.12 0.94 0.00 -2.33 0.00 0.00 43.42 40.29 2k3g n LEU 106 CO 0.63 -0.31 1.08 0.00 -1.33 0.00 0.00 177.39 177.46 2k3g n ASN 108 N -3.36 0.77 -0.23 0.00 4.13 -1.26 -4.00 115.26 111.31 2k3g n ASN 108 Ca -0.02 0.32 -0.01 0.00 1.68 0.00 0.00 54.58 56.55 2k3g n ASN 108 Cb 0.16 0.44 0.20 0.00 -1.54 0.00 0.00 39.78 39.04 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 1.02 -0.64 3.52 4.15 -1.74 -1.56 115.11 119.86 2k3g h GLN 109 Ca -0.09 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2k3g h GLN 109 Cb 1.31 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2k3g h GLN 109 CO 0.02 0.73 0.00 0.66 -1.93 0.00 0.00 178.83 178.31 2k3g n TYR 110 N -4.38 1.68 -3.90 3.99 4.01 -1.25 -4.91 117.16 112.41 2k3g n TYR 110 Ca 0.08 -0.64 -0.35 0.00 -0.16 0.00 0.00 57.90 56.82 2k3g n TYR 110 Cb 0.08 -0.32 -0.14 0.00 -0.31 0.00 0.00 39.34 38.65 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 3.62 -0.26 7.72 2.96 -0.59 -5.08 118.68 124.93 2k3g s LEU 111 Ca 0.53 -1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.28 2k3g s LEU 111 Cb 0.36 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 2k3g s LEU 111 CO 0.23 -0.20 0.34 -1.58 -1.32 0.00 0.00 176.35 173.81 2k3g s GLN 112 N 1.33 4.02 0.29 1.98 0.74 -1.26 -4.92 119.66 121.83 2k3g s GLN 112 Ca -0.02 -0.02 -0.29 0.00 0.05 0.00 0.00 55.36 55.08 2k3g s GLN 112 Cb -0.18 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.19 2k3g s GLN 112 CO -0.02 -0.22 1.20 -1.25 -0.55 0.00 0.00 175.29 174.45 2k3g s PRO 113 N 1.90 4.51 0.02 1.67 0.04 -1.26 -5.05 135.00 136.83 2k3g s PRO 113 Ca 0.14 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2k3g s PRO 113 Cb -0.16 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 2k3g s PRO 113 CO 0.10 0.01 -0.04 0.95 0.04 0.00 0.00 177.00 178.06 2k3g s THR 114 N -1.00 0.20 -0.36 1.26 -4.23 -1.26 -4.99 115.64 105.26 2k3g s THR 114 Ca 0.47 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.76 2k3g s THR 114 Cb -0.35 -0.33 -0.00 0.00 1.34 0.00 0.00 72.50 73.15 2k3g s THR 114 CO 0.45 -0.47 1.52 -0.76 -0.54 0.00 0.00 174.62 174.82 2k3g s LEU 115 N -1.48 3.63 0.57 4.79 1.43 -1.26 -4.83 118.68 121.53 2k3g s LEU 115 Ca -0.15 1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 2k3g s LEU 115 Cb -0.10 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2k3g s LEU 115 CO -0.01 -1.44 1.15 -2.16 0.23 0.00 0.00 176.35 174.12 2k3g s PRO 116 N 5.00 3.17 0.68 1.29 0.04 -1.26 -5.00 135.00 138.92 2k3g s PRO 116 Ca 0.67 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 63.21 2k3g s PRO 116 Cb -0.18 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2k3g s PRO 116 CO 0.31 -1.00 1.12 -1.25 0.04 0.00 0.00 177.00 176.22 2k3g s PRO 117 N -3.40 2.65 0.73 0.56 0.04 -1.26 -5.03 135.00 129.29 2k3g s PRO 117 Ca 0.73 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 2k3g s PRO 117 Cb -0.25 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.39 2k3g s PRO 117 CO 0.30 -1.38 1.11 0.08 0.04 0.00 0.00 177.00 177.15 2k3g s VAL 118 N -2.33 3.25 -0.07 -0.36 1.01 -1.26 -5.03 120.40 115.60 2k3g s VAL 118 Ca 0.68 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.86 2k3g s VAL 118 Cb -0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2k3g s VAL 118 CO 0.43 -0.53 0.56 -0.69 0.00 0.00 0.00 175.10 174.87 2k3g s VAL 119 N -3.35 5.08 -0.33 2.92 1.01 -1.26 -5.04 120.40 119.43 2k3g s VAL 119 Ca 0.59 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 63.51 2k3g s VAL 119 Cb -0.12 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 2k3g s VAL 119 CO 0.52 0.34 0.64 -0.63 0.00 0.00 0.00 175.10 175.96 2k3g s ILE 120 N 0.42 4.91 0.00 2.22 1.01 -1.26 -4.93 121.20 123.58 2k3g s ILE 120 Ca 0.30 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.69 2k3g s ILE 120 Cb -0.17 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2k3g s ILE 120 CO 0.14 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.47 2k3g n GLY 121 N 4.53 -0.92 3.69 6.18 0.00 -1.26 -4.82 105.19 112.59 2k3g n GLY 121 Ca -0.01 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.25 1.17 -2.70 1.61 -0.02 -1.26 -4.99 135.00 128.57 2k3g n PRO 122 Ca 0.00 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.61 2k3g n PRO 122 Cb 0.00 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.02 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 -1.40 3.43 0.12 6.00 -0.12 -1.26 -5.08 117.98 119.66 2k3g s PHE 123 Ca 0.78 1.32 -0.19 0.00 -0.05 0.00 0.00 56.93 58.79 2k3g s PHE 123 Cb -0.40 -2.65 0.05 0.00 -0.63 0.00 0.00 43.02 39.38 2k3g s PHE 123 CO 0.44 -0.19 0.47 -0.59 -0.05 0.00 0.00 175.22 175.31 2k3g s PHE 124 N -2.40 -0.33 -0.05 3.49 -0.71 -1.26 -5.07 117.98 111.65 2k3g s PHE 124 Ca 0.56 0.10 -0.17 0.00 -1.04 0.00 0.00 56.93 56.39 2k3g s PHE 124 Cb -0.10 0.35 -0.31 0.00 -1.21 0.00 0.00 43.02 41.75 2k3g s PHE 124 CO 0.27 -0.73 0.77 0.22 -1.34 0.00 0.00 175.22 174.41 2k3g h ASP 125 N 2.35 0.55 -5.39 1.98 1.82 -2.07 -3.49 116.42 112.16 2k3g h ASP 125 Ca -0.33 -0.91 -0.18 0.00 -0.39 0.00 0.00 57.03 55.21 2k3g h ASP 125 Cb 1.26 -0.18 -0.08 0.00 0.68 0.00 0.00 39.33 41.02 2k3g h ASP 125 CO 0.44 1.60 -0.14 -0.83 -1.61 0.00 0.00 179.24 178.70 2k3g s GLY 126 N -4.76 1.09 -0.15 -0.78 0.00 -1.26 -5.18 107.32 96.28 2k3g s GLY 126 Ca -0.15 -1.26 -0.21 0.00 0.00 0.00 0.00 44.72 43.10 2k3g s GLY 126 CO 0.84 -0.84 0.54 -0.45 0.00 0.00 0.00 173.10 173.19 2k3g s SER 127 N -3.15 -0.54 0.05 1.64 0.15 -1.26 -5.16 113.70 105.43 2k3g s SER 127 Ca 0.27 0.89 -0.18 0.00 0.70 0.00 0.00 55.95 57.63 2k3g s SER 127 Cb -0.01 0.90 -0.06 0.00 -1.71 0.00 0.00 66.02 65.14 2k3g s SER 127 CO 0.16 -0.31 0.53 -0.63 1.20 0.00 0.00 173.24 174.19 2k3g s ILE 128 N -0.22 4.82 -2.47 6.45 1.01 -1.26 -5.29 121.20 124.24 2k3g s ILE 128 Ca -0.04 1.13 0.28 0.00 0.00 0.00 0.00 60.65 62.02 2k3g s ILE 128 Cb -0.03 -3.86 0.57 0.00 0.01 0.00 0.00 42.46 39.15 2k3g s ILE 128 CO 0.03 0.55 1.77 -1.14 0.00 0.00 0.00 174.94 176.15