#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 -1.34 1.61 -0.02 -1.26 -4.88 135.00 131.74 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 -0.04 0.00 -0.02 0.00 0.00 33.50 30.59 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 -2.45 -0.52 1.02 -1.26 -4.88 120.64 120.97 2k3g n GLU 30 Ca 0.19 -2.13 -0.39 0.00 -0.02 0.00 0.00 57.16 54.81 2k3g n GLU 30 Cb 0.36 -2.02 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 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 0.35 6.35 -0.13 1.62 1.01 -1.26 -4.87 116.67 119.75 2k3g s ASP 31 Ca 0.53 -2.06 -0.05 0.00 0.71 0.00 0.00 52.55 51.68 2k3g s ASP 31 Cb 0.35 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.76 2k3g s ASP 31 CO -0.16 -1.68 0.27 -0.89 0.21 0.00 0.00 175.17 172.92 2k3g s THR 32 N 5.97 -0.28 0.49 -1.27 2.01 -1.26 -5.15 115.64 116.14 2k3g s THR 32 Ca 0.56 0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.59 2k3g s THR 32 Cb 0.02 -0.44 -0.08 0.00 0.01 0.00 0.00 72.50 72.01 2k3g s THR 32 CO 0.06 0.09 1.01 -0.76 -0.69 0.00 0.00 174.62 174.34 2k3g s LEU 33 N 2.00 3.81 0.04 4.42 1.43 -1.26 -4.86 118.68 124.26 2k3g s LEU 33 Ca -0.03 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.59 2k3g s LEU 33 Cb -0.11 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.48 2k3g s LEU 33 CO -0.09 -0.71 1.74 -2.84 0.23 0.00 0.00 176.35 174.68 2k3g s PRO 34 N -3.39 4.17 -0.40 1.29 0.02 -1.26 -4.64 135.00 130.78 2k3g s PRO 34 Ca 0.65 2.39 0.09 0.00 0.02 0.00 0.00 61.00 64.15 2k3g s PRO 34 Cb -0.14 -3.79 0.38 0.00 0.02 0.00 0.00 34.50 30.96 2k3g s PRO 34 CO 0.21 -0.82 1.22 1.97 -0.33 0.00 0.00 177.00 179.25 2k3g n PHE 35 N 6.33 -2.03 -3.40 6.54 -1.74 -1.25 -5.01 117.46 116.90 2k3g n PHE 35 Ca 0.17 -2.17 -0.01 0.00 -0.56 0.00 0.00 57.45 54.88 2k3g n PHE 35 Cb 0.41 1.28 -0.04 0.00 1.52 0.00 0.00 39.48 42.65 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 -2.91 -1.10 -0.21 5.98 2.96 -1.21 -4.96 118.68 117.23 2k3g s LEU 36 Ca 0.23 1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 55.05 2k3g s LEU 36 Cb 0.38 1.94 -0.05 0.00 0.50 0.00 0.00 46.19 48.96 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 2.79 4.17 -0.03 1.98 2.20 -1.26 -1.81 119.74 127.78 2k3g s LYS 37 Ca 0.08 -0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.53 2k3g s LYS 37 Cb -0.14 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2k3g s LYS 37 CO -0.18 0.25 -0.19 0.00 -0.36 0.00 0.00 175.35 174.87 2k3g s TYR 39 N -0.69 3.57 0.24 0.00 5.04 -1.26 -1.58 117.35 122.66 2k3g s TYR 39 Ca 0.11 1.64 0.10 0.00 -2.44 0.00 0.00 57.07 56.48 2k3g s TYR 39 Cb -0.10 -2.83 -0.04 0.00 0.35 0.00 0.00 41.96 39.33 2k3g s TYR 39 CO 0.00 0.14 -0.10 0.00 -1.34 0.00 0.00 175.55 174.25 2k3g s SER 41 N -3.28 3.16 0.54 0.00 1.04 -1.22 -4.86 113.70 109.08 2k3g s SER 41 Ca 0.28 1.78 0.21 0.00 0.48 0.00 0.00 55.95 58.70 2k3g s SER 41 Cb -0.07 -2.39 1.13 0.00 0.10 0.00 0.00 66.02 64.79 2k3g s SER 41 CO 0.16 -2.88 1.60 1.23 0.98 0.00 0.00 173.24 174.33 2k3g h GLY 42 N -1.71 0.00 -6.68 7.32 0.00 -1.95 -3.27 103.07 96.78 2k3g h GLY 42 Ca -0.48 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.26 2k3g h GLY 42 CO 0.49 0.00 0.61 -1.58 0.00 0.00 0.00 176.54 176.06 2k3g s HIS 43 N -3.80 2.98 -0.01 5.60 5.65 -1.26 -5.04 115.29 119.41 2k3g s HIS 43 Ca -0.02 0.56 0.01 0.00 0.25 0.00 0.00 55.06 55.85 2k3g s HIS 43 Cb 0.06 -3.87 0.01 0.00 -1.18 0.00 0.00 32.58 27.60 2k3g s HIS 43 CO 0.19 -1.00 -0.01 0.00 -0.65 0.00 0.00 174.74 173.27 2k3g n PRO 45 N 3.46 0.47 0.18 0.00 -0.04 -1.26 -4.82 135.00 132.98 2k3g n PRO 45 Ca -0.18 0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2k3g n PRO 45 Cb 0.56 -2.23 0.55 0.00 -0.04 0.00 0.00 33.50 32.33 2k3g n PRO 45 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k3g h ASP 46 N -0.33 0.14 -0.39 3.54 3.58 -2.03 -1.04 116.42 119.89 2k3g h ASP 46 Ca -0.47 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2k3g h ASP 46 Cb 1.33 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2k3g h ASP 46 CO 0.47 0.14 0.00 -0.90 -2.88 0.00 0.00 179.24 176.06 2k3g n ASP 47 N -4.48 2.88 -4.91 2.28 5.75 -1.26 -4.95 116.55 111.86 2k3g n ASP 47 Ca -0.01 -2.22 -0.27 0.00 -0.01 0.00 0.00 54.79 52.27 2k3g n ASP 47 Cb 0.11 -0.42 0.01 0.00 -1.03 0.00 0.00 41.12 39.79 2k3g n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k3g s ALA 48 N -1.67 3.32 -0.01 2.12 0.00 -0.40 -5.09 121.76 120.03 2k3g s ALA 48 Ca 0.30 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.79 2k3g s ALA 48 Cb 0.19 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 2k3g s ALA 48 CO 0.15 -0.59 -0.23 0.42 0.00 0.00 0.00 175.76 175.50 2k3g s ILE 49 N -2.90 1.85 -1.73 0.00 1.01 -1.13 -4.76 121.20 113.54 2k3g s ILE 49 Ca 0.51 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 2k3g s ILE 49 Cb -0.10 -1.55 0.17 0.00 0.01 0.00 0.00 42.46 40.99 2k3g s ILE 49 CO 0.46 0.50 0.42 -0.46 0.00 0.00 0.00 174.94 175.86 2k3g n ASN 50 N 2.42 -1.03 -3.80 3.58 6.94 -1.26 -0.29 115.26 121.82 2k3g n ASN 50 Ca -0.16 -1.21 -0.27 0.00 -0.02 0.00 0.00 54.58 52.91 2k3g n ASN 50 Cb 0.52 -1.54 0.04 0.00 -2.36 0.00 0.00 39.78 36.44 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 -2.47 -4.59 -4.00 0.53 3.02 -1.26 -5.00 115.26 101.49 2k3g n ASN 51 Ca -0.00 -0.73 -0.10 0.00 -0.03 0.00 0.00 54.58 53.72 2k3g n ASN 51 Cb 0.50 -4.20 -0.11 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 0.24 0.28 3.41 -4.23 0.60 -2.84 115.64 109.74 2k3g s THR 52 Ca 0.54 -0.97 0.11 0.00 -1.18 0.00 0.00 61.69 60.20 2k3g s THR 52 Cb -0.26 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.15 2k3g s THR 52 CO 0.80 -0.47 -0.19 0.00 -0.54 0.00 0.00 174.62 174.22 2k3g s ILE 54 N -2.56 3.93 0.03 0.00 1.01 -1.26 -1.55 121.20 120.80 2k3g s ILE 54 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2k3g s ILE 54 Cb -0.04 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2k3g s ILE 54 CO 0.14 0.53 -0.00 0.28 0.00 0.00 0.00 174.94 175.89 2k3g s THR 55 N -0.03 0.15 -0.35 2.92 -1.32 -0.75 -5.01 115.64 111.24 2k3g s THR 55 Ca 0.01 -1.21 0.07 0.00 -1.21 0.00 0.00 61.69 59.35 2k3g s THR 55 Cb -0.13 -0.76 0.57 0.00 -1.51 0.00 0.00 72.50 70.66 2k3g s THR 55 CO 0.03 -0.67 1.64 -0.46 -2.21 0.00 0.00 174.62 172.95 2k3g n ASN 56 N 0.99 2.97 0.00 8.08 0.23 -1.26 -3.32 115.26 122.95 2k3g n ASN 56 Ca -0.20 -3.73 0.00 0.00 -0.53 0.00 0.00 54.58 50.12 2k3g n ASN 56 Cb 0.57 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 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 -1.13 0.97 3.50 4.83 0.00 -1.20 -4.09 105.19 108.07 2k3g n GLY 57 Ca 0.44 -0.03 -0.11 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 0.68 0.66 -0.05 1.61 3.76 -0.86 -4.88 115.29 116.21 2k3g s HIS 58 Ca 0.00 -0.97 -0.12 0.00 -0.15 0.00 0.00 55.06 53.82 2k3g s HIS 58 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.64 2k3g s HIS 58 CO 0.00 -0.97 0.31 0.00 -0.85 0.00 0.00 174.74 173.22 2k3g s PHE 60 N -0.93 1.08 -0.10 0.00 -0.71 -1.10 -2.36 117.98 113.86 2k3g s PHE 60 Ca 0.20 -0.50 -0.17 0.00 -1.04 0.00 0.00 56.93 55.42 2k3g s PHE 60 Cb -0.15 -0.61 0.04 0.00 -1.21 0.00 0.00 43.02 41.09 2k3g s PHE 60 CO 0.09 0.02 0.43 0.00 -1.34 0.00 0.00 175.22 174.43 2k3g s ALA 61 N -1.47 -1.09 0.00 1.99 0.00 -1.02 -2.27 121.76 117.89 2k3g s ALA 61 Ca -0.02 0.96 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 2k3g s ALA 61 Cb -0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2k3g s ALA 61 CO 0.02 -0.25 0.09 -1.50 0.00 0.00 0.00 175.76 174.12 2k3g s ILE 62 N -0.47 0.08 0.02 0.00 2.07 -0.61 -1.63 121.20 120.66 2k3g s ILE 62 Ca -0.06 -0.70 0.02 0.00 -1.41 0.00 0.00 60.65 58.50 2k3g s ILE 62 Cb -0.03 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 2k3g s ILE 62 CO 0.03 -0.38 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.10 2k3g s ILE 63 N -1.30 0.47 -0.06 2.00 2.07 -0.46 -2.64 121.20 121.27 2k3g s ILE 63 Ca -0.14 -0.65 -0.14 0.00 -1.41 0.00 0.00 60.65 58.30 2k3g s ILE 63 Cb -0.08 -0.47 0.03 0.00 0.13 0.00 0.00 42.46 42.07 2k3g s ILE 63 CO 0.01 -0.14 0.34 -1.61 -1.91 0.00 0.00 174.94 171.63 2k3g s GLU 64 N -0.86 0.58 -0.31 3.50 2.02 -1.22 -2.08 118.70 120.33 2k3g s GLU 64 Ca -0.04 0.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.94 2k3g s GLU 64 Cb -0.06 0.26 -0.03 0.00 0.10 0.00 0.00 34.13 34.41 2k3g s GLU 64 CO 0.00 -0.13 0.19 -2.00 0.02 0.00 0.00 175.26 173.34 2k3g s GLU 65 N -0.70 3.62 0.77 1.61 -6.30 -1.21 -1.92 118.70 114.57 2k3g s GLU 65 Ca -0.08 -0.54 -0.06 0.00 -2.50 0.00 0.00 54.97 51.79 2k3g s GLU 65 Cb -0.04 -3.66 0.12 0.00 0.00 0.00 0.00 34.13 30.56 2k3g s GLU 65 CO 0.03 -0.33 1.07 0.16 0.02 0.00 0.00 175.26 176.21 2k3g s ASP 66 N 1.70 4.21 0.50 -1.70 1.47 -1.00 -4.87 116.67 116.98 2k3g s ASP 66 Ca 0.06 0.03 0.34 0.00 1.18 0.00 0.00 52.55 54.16 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 -1.98 2.04 0.44 0.68 0.00 0.00 175.17 176.44 2k3g h ASP 67 N -0.80 0.00 0.39 2.11 3.32 -1.98 0.32 116.42 119.78 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 0.46 0.00 -0.69 0.00 -1.72 0.00 0.00 179.24 177.29 2k3g n GLN 68 N -2.70 0.05 -0.49 3.56 6.02 -1.26 -4.97 117.38 117.59 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 0.07 -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 0.70 3.89 1.08 0.00 0.10 -5.08 105.19 107.36 2k3g n GLY 69 Ca 0.05 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.96 3.59 -0.15 1.61 2.02 -1.26 -4.88 118.70 118.66 2k3g s GLU 70 Ca 0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.77 2k3g s GLU 70 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 2k3g s GLU 70 CO 0.00 0.63 0.35 0.95 0.02 0.00 0.00 175.26 177.21 2k3g s THR 71 N -1.34 5.27 -0.34 3.63 -4.23 -1.26 -2.37 115.64 114.99 2k3g s THR 71 Ca 0.29 0.67 -0.14 0.00 -1.18 0.00 0.00 61.69 61.33 2k3g s THR 71 Cb -0.13 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 2k3g s THR 71 CO 0.17 0.36 0.33 0.42 -0.54 0.00 0.00 174.62 175.36 2k3g s THR 72 N 0.59 5.20 -0.22 3.99 -4.23 -0.81 -4.91 115.64 115.25 2k3g s THR 72 Ca 0.19 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 2k3g s THR 72 Cb -0.14 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 2k3g s THR 72 CO 0.06 -0.05 0.28 -0.76 -0.54 0.00 0.00 174.62 173.60 2k3g s LEU 73 N 1.94 4.13 -0.02 4.79 1.43 -1.26 -3.43 118.68 126.26 2k3g s LEU 73 Ca 0.10 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2k3g s LEU 73 Cb -0.17 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.75 2k3g s LEU 73 CO 0.11 -0.01 0.11 0.00 0.23 0.00 0.00 176.35 176.79 2k3g s ALA 74 N 1.21 -0.26 0.17 4.21 0.00 -1.08 -4.89 121.76 121.12 2k3g s ALA 74 Ca 0.13 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 2k3g s ALA 74 Cb -0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2k3g s ALA 74 CO 0.06 -0.11 0.19 -1.54 0.00 0.00 0.00 175.76 174.37 2k3g s SER 75 N -0.49 0.14 0.00 0.00 1.04 -1.26 -1.57 113.70 111.56 2k3g s SER 75 Ca -0.06 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2k3g s SER 75 Cb -0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2k3g s SER 75 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2k3g n GLY 76 N -0.21 -0.86 3.76 7.32 0.00 -0.96 -3.42 105.19 110.82 2k3g n GLY 76 Ca -0.04 -0.77 -0.36 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 0.04 3.76 1.14 0.00 1.75 -0.60 -4.95 119.30 120.44 2k3g s MET 78 Ca 0.12 -0.28 -0.15 0.00 -1.25 0.00 0.00 55.69 54.14 2k3g s MET 78 Cb -0.12 -3.19 0.26 0.00 2.84 0.00 0.00 34.83 34.62 2k3g s MET 78 CO 0.01 0.46 1.05 -1.59 -0.65 0.00 0.00 175.02 174.30 2k3g s LYS 79 N -0.13 -0.74 0.52 4.11 -2.85 -1.26 -2.03 119.74 117.36 2k3g s LYS 79 Ca 0.08 0.47 -0.22 0.00 -1.00 0.00 0.00 55.97 55.30 2k3g s LYS 79 Cb -0.12 -1.60 -0.05 0.00 -2.06 0.00 0.00 37.83 33.99 2k3g s LYS 79 CO 0.01 -3.51 1.26 -0.47 0.10 0.00 0.00 175.35 172.74 2k3g s TYR 80 N -2.72 2.52 0.00 1.78 5.04 -1.26 -4.31 117.35 118.40 2k3g s TYR 80 Ca 0.68 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.77 2k3g s TYR 80 Cb -0.19 -3.58 0.00 0.00 0.35 0.00 0.00 41.96 38.54 2k3g s TYR 80 CO 0.60 -2.25 0.00 0.39 -1.34 0.00 0.00 175.55 172.95 2k3g n GLU 81 N -0.94 0.00 0.00 4.97 1.02 -1.26 -4.99 120.64 119.43 2k3g n GLU 81 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2k3g n GLU 81 Cb 0.47 -0.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 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 1.72 4.57 0.00 0.62 0.00 -1.26 -4.98 105.19 105.86 2k3g n GLY 82 Ca 0.00 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.48 2k3g n GLY 82 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k3g n SER 83 N 0.00 0.00 0.08 1.61 2.88 -1.26 -3.42 113.62 113.52 2k3g n SER 83 Ca 0.00 -0.94 -0.09 0.00 -1.33 0.00 0.00 58.87 56.52 2k3g n SER 83 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2k3g n SER 83 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2k3g h ASP 84 N 0.00 0.19 -1.06 -3.46 3.32 -2.06 -3.41 116.42 109.95 2k3g h ASP 84 Ca 0.00 -0.18 -0.26 0.00 0.02 0.00 0.00 57.03 56.61 2k3g h ASP 84 Cb 0.00 -0.06 -0.20 0.00 0.22 0.00 0.00 39.33 39.28 2k3g h ASP 84 CO 0.00 1.04 -0.60 2.22 -1.72 0.00 0.00 179.24 180.17 2k3g n PHE 85 N -3.56 -3.08 -1.25 4.55 -1.74 -1.22 -5.05 117.46 106.11 2k3g n PHE 85 Ca -0.03 -1.88 -0.37 0.00 -0.56 0.00 0.00 57.45 54.61 2k3g n PHE 85 Cb 0.87 1.20 -0.03 0.00 1.52 0.00 0.00 39.48 43.04 2k3g n PHE 85 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 2k3g n GLN 86 N 2.56 3.50 -3.65 3.97 6.02 -1.22 -4.75 117.38 123.81 2k3g n GLN 86 Ca 0.18 -2.12 -0.05 0.00 -0.01 0.00 0.00 57.00 55.00 2k3g n GLN 86 Cb 0.56 -2.77 -0.07 0.00 1.02 0.00 0.00 30.24 28.98 2k3g n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k3g s LYS 88 N 2.74 4.13 -0.23 0.00 -0.14 -1.26 -5.00 119.74 119.98 2k3g s LYS 88 Ca -0.03 1.20 -0.03 0.00 -1.36 0.00 0.00 55.97 55.74 2k3g s LYS 88 Cb -0.12 -3.71 0.12 0.00 -1.68 0.00 0.00 37.83 32.43 2k3g s LYS 88 CO -0.15 -0.82 0.34 -0.51 -0.76 0.00 0.00 175.35 173.44 2k3g s ASP 89 N 1.58 0.49 -0.36 2.83 1.01 -1.26 -5.01 116.67 115.95 2k3g s ASP 89 Ca 0.46 0.17 -0.28 0.00 0.71 0.00 0.00 52.55 53.61 2k3g s ASP 89 Cb -0.14 0.94 0.02 0.00 1.01 0.00 0.00 42.92 44.75 2k3g s ASP 89 CO 0.13 -0.30 1.03 -0.44 0.21 0.00 0.00 175.17 175.80 2k3g s SER 90 N 2.49 6.79 -1.23 0.27 0.01 -1.26 -4.93 113.70 115.84 2k3g s SER 90 Ca 0.10 0.79 -0.10 0.00 1.31 0.00 0.00 55.95 58.06 2k3g s SER 90 Cb -0.15 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 2k3g s SER 90 CO -0.14 -0.93 2.44 -0.81 0.41 0.00 0.00 173.24 174.20 2k3g n PRO 91 N 6.99 2.73 -2.70 12.44 -0.04 -1.26 -4.12 135.00 149.04 2k3g n PRO 91 Ca 0.10 -1.88 -0.03 0.00 -0.04 0.00 0.00 63.50 61.65 2k3g n PRO 91 Cb 0.48 -2.70 0.11 0.00 -0.04 0.00 0.00 33.50 31.34 2k3g n PRO 91 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k3g n LYS 92 N 4.38 1.37 -3.66 0.54 4.81 -1.26 -5.11 118.16 119.23 2k3g n LYS 92 Ca 0.59 -1.83 -0.06 0.00 -0.87 0.00 0.00 58.31 56.14 2k3g n LYS 92 Cb 0.22 -0.09 -0.07 0.00 0.02 0.00 0.00 35.03 35.10 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 -0.64 -1.53 -0.66 3.14 0.00 -1.26 -5.06 121.76 115.75 2k3g s ALA 93 Ca 0.16 1.89 0.02 0.00 0.00 0.00 0.00 51.96 54.04 2k3g s ALA 93 Cb 0.42 -1.46 0.37 0.00 0.00 0.00 0.00 23.12 22.45 2k3g s ALA 93 CO -0.10 -0.74 1.45 0.94 0.00 0.00 0.00 175.76 177.32 2k3g n GLN 94 N 5.20 3.45 -4.99 0.00 7.27 -1.26 -5.01 117.38 122.04 2k3g n GLN 94 Ca -0.12 -4.29 -0.30 0.00 0.07 0.00 0.00 57.00 52.35 2k3g n GLN 94 Cb 0.51 -2.28 -0.15 0.00 2.41 0.00 0.00 30.24 30.73 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 -3.79 2.14 -0.21 1.69 0.20 -1.26 -5.09 118.68 112.36 2k3g s LEU 95 Ca 0.48 -0.56 -0.29 0.00 0.69 0.00 0.00 54.13 54.45 2k3g s LEU 95 Cb 0.37 -1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 44.81 2k3g s LEU 95 CO -0.24 0.27 1.65 -0.60 -0.29 0.00 0.00 176.35 177.14 2k3g s ARG 96 N -1.09 3.77 0.19 1.98 3.52 -1.26 -4.94 118.95 121.12 2k3g s ARG 96 Ca 0.11 1.70 -0.23 0.00 -0.13 0.00 0.00 55.73 57.19 2k3g s ARG 96 Cb -0.10 -4.06 0.05 0.00 -1.56 0.00 0.00 34.95 29.29 2k3g s ARG 96 CO 0.01 -1.33 0.72 -0.98 -0.81 0.00 0.00 175.30 172.91 2k3g s ARG 97 N 4.75 1.43 0.05 5.12 1.70 -1.26 -3.33 118.95 127.41 2k3g s ARG 97 Ca 0.73 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 55.34 2k3g s ARG 97 Cb -0.26 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 2k3g s ARG 97 CO 0.30 -0.64 -0.10 0.99 -1.08 0.00 0.00 175.30 174.77 2k3g s THR 98 N -3.71 0.74 0.04 4.99 2.01 -0.88 -4.95 115.64 113.89 2k3g s THR 98 Ca 0.07 -1.10 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 2k3g s THR 98 Cb -0.03 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 2k3g s THR 98 CO -0.03 -0.29 0.07 -0.51 -0.69 0.00 0.00 174.62 173.18 2k3g s ILE 99 N -1.25 0.15 -0.01 1.82 2.07 -1.26 -1.36 121.20 121.36 2k3g s ILE 99 Ca -0.06 -1.23 -0.04 0.00 -1.41 0.00 0.00 60.65 57.90 2k3g s ILE 99 Cb -0.09 -1.02 -0.00 0.00 0.13 0.00 0.00 42.46 41.47 2k3g s ILE 99 CO 0.01 -0.68 0.08 -1.61 -1.91 0.00 0.00 174.94 170.83 2k3g s GLU 100 N -2.92 0.32 -0.05 3.50 2.02 -0.65 -5.02 118.70 115.90 2k3g s GLU 100 Ca -0.02 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 2k3g s GLU 100 Cb 0.01 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.38 2k3g s GLU 100 CO -0.06 -0.06 0.12 0.00 0.02 0.00 0.00 175.26 175.27 2k3g n ARG 103 N 3.72 3.44 -3.94 0.00 0.63 -1.26 -1.78 116.66 117.47 2k3g n ARG 103 Ca -0.18 -4.09 -0.10 0.00 -0.92 0.00 0.00 57.85 52.57 2k3g n ARG 103 Cb 0.57 -2.30 -0.10 0.00 0.45 0.00 0.00 32.46 31.08 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 -5.01 0.11 0.23 5.15 -4.23 -1.26 -5.03 115.64 105.60 2k3g s THR 104 Ca 0.48 -0.94 -0.31 0.00 -1.18 0.00 0.00 61.69 59.74 2k3g s THR 104 Cb 0.37 -0.53 -0.11 0.00 1.34 0.00 0.00 72.50 73.57 2k3g s THR 104 CO -0.29 -0.52 1.64 0.54 -0.54 0.00 0.00 174.62 175.46 2k3g s ASN 105 N -1.67 6.43 -1.17 3.99 2.20 -1.26 -1.69 114.94 121.76 2k3g s ASN 105 Ca -0.12 2.84 0.00 0.00 -0.94 0.00 0.00 52.86 54.64 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 -0.92 0.00 0.18 -2.94 0.00 0.00 177.10 173.41 2k3g n LEU 106 N 3.36 -1.10 0.30 3.54 4.77 -0.80 -4.82 117.00 122.25 2k3g n LEU 106 Ca 0.13 0.23 0.18 0.00 -0.03 0.00 0.00 56.01 56.52 2k3g n LEU 106 Cb 0.37 -2.11 0.96 0.00 -2.33 0.00 0.00 43.42 40.31 2k3g n LEU 106 CO 0.63 -0.30 1.09 0.00 -1.33 0.00 0.00 177.39 177.48 2k3g n ASN 108 N -3.35 0.86 -0.28 0.00 4.13 -1.26 -4.02 115.26 111.34 2k3g n ASN 108 Ca -0.02 0.36 -0.02 0.00 1.68 0.00 0.00 54.58 56.57 2k3g n ASN 108 Cb 0.16 0.29 0.15 0.00 -1.54 0.00 0.00 39.78 38.84 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 1.14 -0.64 3.52 4.15 -1.72 -1.61 115.11 119.94 2k3g h GLN 109 Ca -0.08 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2k3g h GLN 109 Cb 1.30 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2k3g h GLN 109 CO 0.02 0.81 0.00 0.66 -1.93 0.00 0.00 178.83 178.40 2k3g n TYR 110 N -4.36 1.69 -3.86 3.99 4.01 -1.25 -4.90 117.16 112.48 2k3g n TYR 110 Ca 0.09 -0.65 -0.36 0.00 -0.16 0.00 0.00 57.90 56.82 2k3g n TYR 110 Cb 0.08 -0.33 -0.13 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 -2.12 3.84 -0.26 7.72 2.96 -0.61 -5.08 118.68 125.12 2k3g s LEU 111 Ca 0.53 -1.07 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 2k3g s LEU 111 Cb 0.36 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2k3g s LEU 111 CO 0.23 -0.24 0.33 -1.58 -1.32 0.00 0.00 176.35 173.77 2k3g s GLN 112 N 1.34 4.02 0.28 1.98 0.74 -1.26 -4.93 119.66 121.84 2k3g s GLN 112 Ca -0.02 -0.02 -0.29 0.00 0.05 0.00 0.00 55.36 55.07 2k3g s GLN 112 Cb -0.19 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.19 2k3g s GLN 112 CO -0.00 -0.22 1.20 -1.25 -0.55 0.00 0.00 175.29 174.47 2k3g s PRO 113 N 1.89 4.51 0.02 1.67 0.04 -1.26 -5.05 135.00 136.82 2k3g s PRO 113 Ca 0.14 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2k3g s PRO 113 Cb -0.16 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 2k3g s PRO 113 CO 0.10 0.01 -0.04 0.95 0.04 0.00 0.00 177.00 178.05 2k3g s THR 114 N -0.94 0.20 -0.35 1.26 -4.23 -1.26 -5.00 115.64 105.32 2k3g s THR 114 Ca 0.48 -0.95 -0.29 0.00 -1.18 0.00 0.00 61.69 59.75 2k3g s THR 114 Cb -0.35 -0.34 -0.00 0.00 1.34 0.00 0.00 72.50 73.15 2k3g s THR 114 CO 0.44 -0.48 1.49 -0.76 -0.54 0.00 0.00 174.62 174.77 2k3g s LEU 115 N -1.49 3.67 0.57 4.79 1.43 -1.26 -4.80 118.68 121.59 2k3g s LEU 115 Ca -0.15 1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.86 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 -1.39 1.16 -2.16 0.23 0.00 0.00 176.35 174.18 2k3g s PRO 116 N 4.88 3.15 0.52 1.29 0.04 -1.26 -4.98 135.00 138.63 2k3g s PRO 116 Ca 0.65 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 63.14 2k3g s PRO 116 Cb -0.17 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2k3g s PRO 116 CO 0.31 -1.03 1.30 -2.14 0.04 0.00 0.00 177.00 175.47 2k3g s PRO 117 N -3.39 3.34 0.18 0.56 0.02 -1.26 -5.04 135.00 129.41 2k3g s PRO 117 Ca 0.74 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 63.72 2k3g s PRO 117 Cb -0.26 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2k3g s PRO 117 CO 0.31 -0.98 0.37 0.08 -0.33 0.00 0.00 177.00 176.44 2k3g s VAL 118 N -1.38 0.05 -0.08 3.83 1.01 -1.26 -5.15 120.40 117.42 2k3g s VAL 118 Ca 0.69 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 2k3g s VAL 118 Cb -0.37 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2k3g s VAL 118 CO 0.43 -0.23 0.53 -0.69 0.00 0.00 0.00 175.10 175.14 2k3g s VAL 119 N -3.94 5.10 -0.22 2.92 1.01 -1.26 -5.06 120.40 118.96 2k3g s VAL 119 Ca 0.15 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 2k3g s VAL 119 Cb 0.02 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.64 2k3g s VAL 119 CO -0.01 0.36 0.45 -0.51 0.00 0.00 0.00 175.10 175.38 2k3g s ILE 120 N 0.34 -0.70 0.29 2.22 2.07 -1.26 -5.13 121.20 119.03 2k3g s ILE 120 Ca 0.28 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 2k3g s ILE 120 Cb -0.16 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.70 2k3g s ILE 120 CO 0.13 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 2k3g n GLY 121 N 5.40 -2.36 3.72 1.50 0.00 -1.26 -4.76 105.19 107.42 2k3g n GLY 121 Ca -0.08 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.58 2.61 -2.99 1.61 -0.02 -1.26 -4.96 135.00 126.41 2k3g n PRO 122 Ca -0.02 0.93 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 2k3g n PRO 122 Cb 0.40 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 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 0.58 3.52 0.13 6.00 5.36 -1.26 -5.03 117.98 127.27 2k3g s PHE 123 Ca 0.71 1.24 -0.31 0.00 -0.96 0.00 0.00 56.93 57.61 2k3g s PHE 123 Cb -0.54 -2.88 -0.08 0.00 -0.34 0.00 0.00 43.02 39.19 2k3g s PHE 123 CO 0.41 -0.04 1.34 -0.59 -1.46 0.00 0.00 175.22 174.88 2k3g s PHE 124 N 1.31 3.28 0.68 10.12 -0.12 -1.26 -5.02 117.98 126.97 2k3g s PHE 124 Ca 0.38 1.08 -0.09 0.00 -0.05 0.00 0.00 56.93 58.24 2k3g s PHE 124 Cb -0.17 -3.62 0.02 0.00 -0.63 0.00 0.00 43.02 38.62 2k3g s PHE 124 CO 0.16 -2.07 1.04 0.16 -0.05 0.00 0.00 175.22 174.46 2k3g s ASP 125 N 0.88 5.36 -0.62 1.98 1.47 -1.26 -4.27 116.67 120.21 2k3g s ASP 125 Ca 0.61 0.91 -0.02 0.00 1.18 0.00 0.00 52.55 55.24 2k3g s ASP 125 Cb -0.36 -1.74 0.00 0.00 -0.34 0.00 0.00 42.92 40.49 2k3g s ASP 125 CO 0.32 -1.32 0.25 0.61 0.68 0.00 0.00 175.17 175.71 2k3g n GLY 126 N -2.89 0.21 3.73 2.12 0.00 -1.26 -5.00 105.19 102.10 2k3g n GLY 126 Ca 0.06 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2k3g n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3g s SER 127 N -2.90 7.33 -0.10 1.61 0.15 -1.26 -5.04 113.70 113.49 2k3g s SER 127 Ca 0.13 1.60 -0.19 0.00 0.70 0.00 0.00 55.95 58.18 2k3g s SER 127 Cb -0.06 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2k3g s SER 127 CO 0.16 -0.08 0.52 -0.63 1.20 0.00 0.00 173.24 174.40 2k3g s ILE 128 N 0.24 5.14 0.00 6.45 1.01 -1.26 -5.23 121.20 127.55 2k3g s ILE 128 Ca 0.44 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2k3g s ILE 128 Cb -0.21 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2k3g s ILE 128 CO 0.26 0.33 0.00 -1.14 0.00 0.00 0.00 174.94 174.39