#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 2.66 -1.33 1.61 -0.02 -1.26 -4.89 135.00 131.78 2k3g n PRO 29 Ca 0.00 0.97 -0.24 0.00 -2.02 0.00 0.00 63.50 62.21 2k3g n PRO 29 Cb 0.00 -2.87 -0.03 0.00 -0.02 0.00 0.00 33.50 30.58 2k3g n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3g n GLU 30 N 6.20 2.25 -2.49 -0.52 1.02 -1.26 -4.87 120.64 120.97 2k3g n GLU 30 Ca 0.19 -2.14 -0.40 0.00 -0.02 0.00 0.00 57.16 54.79 2k3g n GLU 30 Cb 0.36 -2.01 -0.01 0.00 -0.02 0.00 0.00 31.44 29.76 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 0.31 6.51 -0.72 1.62 1.11 -1.26 -4.77 116.67 119.47 2k3g s ASP 31 Ca 0.52 -2.30 0.01 0.00 0.18 0.00 0.00 52.55 50.96 2k3g s ASP 31 Cb 0.35 -2.58 0.37 0.00 1.07 0.00 0.00 42.92 42.13 2k3g s ASP 31 CO -0.16 -1.51 1.67 0.41 1.18 0.00 0.00 175.17 176.76 2k3g n THR 32 N 6.66 3.35 -2.62 -1.27 -1.04 -1.26 -5.01 114.28 113.08 2k3g n THR 32 Ca 0.48 -4.67 -0.43 0.00 -2.04 0.00 0.00 64.05 57.39 2k3g n THR 32 Cb 0.46 -1.28 -0.02 0.00 -1.82 0.00 0.00 70.33 67.67 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 -3.90 4.11 0.18 -4.42 1.43 -1.26 -5.00 118.68 109.82 2k3g s LEU 33 Ca 0.50 1.42 -0.31 0.00 -1.03 0.00 0.00 54.13 54.71 2k3g s LEU 33 Cb 0.40 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 2k3g s LEU 33 CO -0.31 -0.69 1.50 -2.84 0.23 0.00 0.00 176.35 174.23 2k3g s PRO 34 N 3.27 4.25 -0.41 1.29 0.02 -1.26 -4.74 135.00 137.43 2k3g s PRO 34 Ca 0.46 2.29 0.09 0.00 0.02 0.00 0.00 61.00 63.86 2k3g s PRO 34 Cb -0.16 -3.16 0.38 0.00 0.02 0.00 0.00 34.50 31.58 2k3g s PRO 34 CO 0.08 -0.52 1.27 1.97 -0.33 0.00 0.00 177.00 179.47 2k3g n PHE 35 N 3.55 -2.27 -3.41 6.54 -1.74 -1.25 -5.03 117.46 113.85 2k3g n PHE 35 Ca 0.12 -2.06 -0.01 0.00 -0.56 0.00 0.00 57.45 54.94 2k3g n PHE 35 Cb 0.40 1.45 -0.04 0.00 1.52 0.00 0.00 39.48 42.81 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 -2.98 -1.14 -0.18 5.98 2.96 -1.22 -4.96 118.68 117.13 2k3g s LEU 36 Ca 0.23 1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 55.11 2k3g s LEU 36 Cb 0.38 2.02 -0.05 0.00 0.50 0.00 0.00 46.19 49.04 2k3g s LEU 36 CO -0.07 -0.25 0.14 -0.75 -1.32 0.00 0.00 176.35 174.10 2k3g s LYS 37 N 2.81 4.07 -0.04 1.98 2.20 -1.26 -1.67 119.74 127.84 2k3g s LYS 37 Ca 0.08 -0.19 0.05 0.00 -0.36 0.00 0.00 55.97 55.55 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 0.37 -0.17 0.00 -0.36 0.00 0.00 175.35 175.01 2k3g s TYR 39 N -0.72 3.83 -0.07 0.00 5.04 -1.26 -1.86 117.35 122.31 2k3g s TYR 39 Ca 0.11 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.34 2k3g s TYR 39 Cb -0.10 -2.72 -0.02 0.00 0.35 0.00 0.00 41.96 39.46 2k3g s TYR 39 CO 0.00 0.46 -0.16 0.00 -1.34 0.00 0.00 175.55 174.52 2k3g s SER 41 N -0.40 2.61 0.00 0.00 0.01 -1.26 -4.86 113.70 109.81 2k3g s SER 41 Ca 0.04 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2k3g s SER 41 Cb -0.12 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2k3g s SER 41 CO 0.02 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2k3g n GLY 42 N 3.02 1.49 3.37 3.44 0.00 -1.26 -3.06 105.19 112.18 2k3g n GLY 42 Ca -0.18 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 3.03 -0.01 1.61 5.65 -1.26 -5.06 115.29 119.25 2k3g s HIS 43 Ca 0.00 -0.73 0.01 0.00 0.25 0.00 0.00 55.06 54.59 2k3g s HIS 43 Cb 0.00 -2.17 0.01 0.00 -1.18 0.00 0.00 32.58 29.23 2k3g s HIS 43 CO 0.00 -0.47 -0.02 0.00 -0.65 0.00 0.00 174.74 173.60 2k3g s PRO 45 N 0.29 2.25 0.54 0.00 0.04 -1.26 -4.86 135.00 131.99 2k3g s PRO 45 Ca -0.03 1.98 0.21 0.00 0.04 0.00 0.00 61.00 63.20 2k3g s PRO 45 Cb -0.05 -1.82 1.46 0.00 0.04 0.00 0.00 34.50 34.13 2k3g s PRO 45 CO -0.01 -1.81 2.18 -0.44 0.04 0.00 0.00 177.00 176.96 2k3g h ASP 46 N 0.08 0.00 -0.41 6.66 5.19 -2.02 -1.12 116.42 124.79 2k3g h ASP 46 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2k3g h ASP 46 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2k3g h ASP 46 CO 0.51 0.01 0.00 -0.90 -3.12 0.00 0.00 179.24 175.74 2k3g n ASP 47 N -4.25 3.09 -4.86 6.45 5.75 -1.26 -4.97 116.55 116.49 2k3g n ASP 47 Ca -0.03 -2.25 -0.31 0.00 -0.01 0.00 0.00 54.79 52.20 2k3g n ASP 47 Cb 0.10 -0.44 0.04 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 -1.69 2.85 -0.01 2.12 0.00 -0.43 -5.07 121.76 119.53 2k3g s ALA 48 Ca 0.32 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2k3g s ALA 48 Cb 0.20 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2k3g s ALA 48 CO 0.16 -1.06 -0.18 0.42 0.00 0.00 0.00 175.76 175.10 2k3g s ILE 49 N -3.21 1.44 -1.68 0.00 1.01 -1.11 -4.79 121.20 112.85 2k3g s ILE 49 Ca 0.57 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 2k3g s ILE 49 Cb -0.12 -1.20 0.16 0.00 0.01 0.00 0.00 42.46 41.31 2k3g s ILE 49 CO 0.53 0.38 0.41 -0.46 0.00 0.00 0.00 174.94 175.80 2k3g n ASN 50 N 2.56 -1.01 -3.79 3.58 6.94 -1.26 -0.30 115.26 121.98 2k3g n ASN 50 Ca -0.15 -1.18 -0.27 0.00 -0.02 0.00 0.00 54.58 52.97 2k3g n ASN 50 Cb 0.54 -1.49 0.04 0.00 -2.36 0.00 0.00 39.78 36.51 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 -2.36 -4.26 -4.01 0.53 3.02 -1.26 -5.00 115.26 101.92 2k3g n ASN 51 Ca -0.00 -0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 53.73 2k3g n ASN 51 Cb 0.48 -4.20 -0.09 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 -3.38 0.17 0.11 3.41 -4.23 0.59 -2.69 115.64 109.61 2k3g s THR 52 Ca 0.49 -1.58 -0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2k3g s THR 52 Cb -0.24 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 2k3g s THR 52 CO 0.80 -0.75 -0.00 0.00 -0.54 0.00 0.00 174.62 174.13 2k3g s ILE 54 N -3.87 3.96 0.03 0.00 1.01 -1.26 -1.54 121.20 119.53 2k3g s ILE 54 Ca 0.16 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2k3g s ILE 54 Cb 0.07 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2k3g s ILE 54 CO -0.03 0.52 -0.04 0.28 0.00 0.00 0.00 174.94 175.67 2k3g s THR 55 N 0.04 0.27 -0.34 2.92 -1.32 -0.67 -5.00 115.64 111.54 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 -0.60 0.56 0.00 -1.51 0.00 0.00 72.50 70.81 2k3g s THR 55 CO 0.03 -0.56 1.61 -0.46 -2.21 0.00 0.00 174.62 173.02 2k3g n ASN 56 N 1.27 2.89 0.00 8.08 6.94 -1.26 -3.45 115.26 129.72 2k3g n ASN 56 Ca -0.22 -3.72 0.00 0.00 -0.02 0.00 0.00 54.58 50.62 2k3g n ASN 56 Cb 0.56 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.12 0.81 3.48 4.83 0.00 -1.22 -4.43 105.19 107.54 2k3g n GLY 57 Ca 0.41 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.33 0.70 -0.01 1.61 3.76 -1.14 -4.89 115.29 115.65 2k3g s HIS 58 Ca 0.00 -1.00 -0.15 0.00 -0.15 0.00 0.00 55.06 53.76 2k3g s HIS 58 Cb 0.00 -0.03 -0.06 0.00 1.11 0.00 0.00 32.58 33.60 2k3g s HIS 58 CO 0.00 -0.95 0.41 0.00 -0.85 0.00 0.00 174.74 173.34 2k3g s PHE 60 N -0.95 1.30 -0.10 0.00 -0.12 -1.09 -2.15 117.98 114.88 2k3g s PHE 60 Ca 0.24 -0.49 -0.15 0.00 -0.05 0.00 0.00 56.93 56.48 2k3g s PHE 60 Cb -0.16 -0.72 0.04 0.00 -0.63 0.00 0.00 43.02 41.54 2k3g s PHE 60 CO 0.13 0.09 0.38 0.00 -0.05 0.00 0.00 175.22 175.77 2k3g s ALA 61 N -1.53 -0.96 0.00 1.99 0.00 -0.93 -2.31 121.76 118.03 2k3g s ALA 61 Ca 0.02 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 52.80 2k3g s ALA 61 Cb -0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2k3g s ALA 61 CO 0.03 -0.22 0.11 -1.50 0.00 0.00 0.00 175.76 174.17 2k3g s ILE 62 N -0.35 0.08 0.03 0.00 2.07 -0.62 -1.55 121.20 120.86 2k3g s ILE 62 Ca -0.05 -0.68 0.03 0.00 -1.41 0.00 0.00 60.65 58.54 2k3g s ILE 62 Cb -0.03 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 2k3g s ILE 62 CO 0.02 -0.37 -0.09 -0.51 -1.91 0.00 0.00 174.94 172.08 2k3g s ILE 63 N -1.29 0.70 -0.05 2.00 2.07 -0.30 -2.48 121.20 121.85 2k3g s ILE 63 Ca -0.14 -0.78 -0.10 0.00 -1.41 0.00 0.00 60.65 58.23 2k3g s ILE 63 Cb -0.08 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 41.86 2k3g s ILE 63 CO 0.01 -0.08 0.23 -1.61 -1.91 0.00 0.00 174.94 171.58 2k3g s GLU 64 N -0.95 0.43 -0.30 3.50 2.02 -1.19 -1.67 118.70 120.55 2k3g s GLU 64 Ca -0.02 0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.87 2k3g s GLU 64 Cb -0.07 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.33 2k3g s GLU 64 CO 0.00 -0.09 0.18 -2.00 0.02 0.00 0.00 175.26 173.37 2k3g s GLU 65 N -0.64 3.70 0.76 1.61 -6.30 -1.18 -1.87 118.70 114.78 2k3g s GLU 65 Ca -0.07 -0.49 -0.06 0.00 -2.50 0.00 0.00 54.97 51.85 2k3g s GLU 65 Cb -0.04 -3.63 0.12 0.00 0.00 0.00 0.00 34.13 30.58 2k3g s GLU 65 CO 0.02 -0.28 1.06 0.16 0.02 0.00 0.00 175.26 176.24 2k3g s ASP 66 N 1.71 4.23 0.53 -1.70 1.47 -0.97 -4.75 116.67 117.18 2k3g s ASP 66 Ca 0.06 0.02 0.35 0.00 1.18 0.00 0.00 52.55 54.17 2k3g s ASP 66 Cb -0.16 -0.42 1.91 0.00 -0.34 0.00 0.00 42.92 43.90 2k3g s ASP 66 CO 0.09 -1.96 2.08 0.44 0.68 0.00 0.00 175.17 176.50 2k3g h ASP 67 N -0.78 0.00 0.33 2.11 3.32 -1.98 0.11 116.42 119.53 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 -0.65 0.00 -1.72 0.00 0.00 179.24 177.32 2k3g n GLN 68 N -2.75 0.03 -0.58 3.56 1.13 -1.26 -4.97 117.38 112.54 2k3g n GLN 68 Ca -0.02 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 2k3g n GLN 68 Cb 0.06 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.91 2k3g n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k3g n GLY 69 N 1.50 0.72 3.88 1.08 0.00 0.02 -5.08 105.19 107.31 2k3g n GLY 69 Ca 0.05 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.21 3.60 -0.19 1.61 0.41 -1.26 -4.88 118.70 116.78 2k3g s GLU 70 Ca 0.00 -0.04 -0.15 0.00 -0.41 0.00 0.00 54.97 54.37 2k3g s GLU 70 Cb 0.00 -3.08 -0.04 0.00 -1.78 0.00 0.00 34.13 29.23 2k3g s GLU 70 CO 0.00 0.64 0.37 0.95 -0.49 0.00 0.00 175.26 176.74 2k3g s THR 71 N -1.29 5.23 -0.25 3.63 -4.23 -1.26 -2.28 115.64 115.18 2k3g s THR 71 Ca 0.28 0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 61.32 2k3g s THR 71 Cb -0.13 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 2k3g s THR 71 CO 0.16 0.28 0.26 0.42 -0.54 0.00 0.00 174.62 175.20 2k3g s THR 72 N 1.12 5.27 -0.19 3.99 -4.23 -0.78 -4.89 115.64 115.92 2k3g s THR 72 Ca 0.18 0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.93 2k3g s THR 72 Cb -0.14 -3.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.05 2k3g s THR 72 CO 0.07 0.26 0.27 -0.76 -0.54 0.00 0.00 174.62 173.92 2k3g s LEU 73 N 1.51 4.19 -0.02 4.79 1.43 -1.26 -3.19 118.68 126.13 2k3g s LEU 73 Ca 0.11 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2k3g s LEU 73 Cb -0.15 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2k3g s LEU 73 CO 0.08 0.06 0.09 0.00 0.23 0.00 0.00 176.35 176.82 2k3g s ALA 74 N 0.78 -0.22 0.17 4.21 0.00 -1.04 -4.39 121.76 121.27 2k3g s ALA 74 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 2k3g s ALA 74 Cb -0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2k3g s ALA 74 CO 0.04 -0.11 0.20 -1.54 0.00 0.00 0.00 175.76 174.35 2k3g s SER 75 N -0.57 0.14 0.00 0.00 1.04 -1.17 -1.59 113.70 111.55 2k3g s SER 75 Ca -0.06 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2k3g s SER 75 Cb -0.04 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.47 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 0.67 3.77 7.32 0.00 -0.98 -4.21 105.19 111.55 2k3g n GLY 76 Ca -0.04 -0.76 -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 0.02 4.13 1.16 0.00 1.75 -0.76 -4.94 119.30 120.66 2k3g s MET 78 Ca 0.15 -0.25 -0.15 0.00 -1.25 0.00 0.00 55.69 54.19 2k3g s MET 78 Cb -0.13 -3.38 0.27 0.00 2.84 0.00 0.00 34.83 34.44 2k3g s MET 78 CO 0.04 0.28 1.04 -1.59 -0.65 0.00 0.00 175.02 174.13 2k3g s LYS 79 N 0.41 -0.91 0.34 4.11 -2.85 -1.26 -2.88 119.74 116.70 2k3g s LYS 79 Ca 0.07 0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 55.26 2k3g s LYS 79 Cb -0.11 -1.58 -0.11 0.00 -2.06 0.00 0.00 37.83 33.97 2k3g s LYS 79 CO -0.01 -3.63 1.36 1.52 0.10 0.00 0.00 175.35 174.69 2k3g s TYR 80 N -2.66 2.91 0.00 1.78 -0.85 -1.26 -4.52 117.35 112.75 2k3g s TYR 80 Ca 0.68 1.33 0.00 0.00 -0.52 0.00 0.00 57.07 58.56 2k3g s TYR 80 Cb -0.20 -3.79 0.00 0.00 0.38 0.00 0.00 41.96 38.36 2k3g s TYR 80 CO 0.61 -2.22 0.00 0.39 -1.52 0.00 0.00 175.55 172.81 2k3g n GLU 81 N 0.72 0.00 -0.03 -3.49 1.02 -1.26 -5.03 120.64 112.57 2k3g n GLU 81 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k3g n GLU 81 Cb 0.41 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 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 2.19 1.29 3.07 0.62 0.00 -1.26 -5.10 105.19 106.00 2k3g n GLY 82 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.01 -0.60 -0.11 1.61 1.04 -1.26 -5.05 113.70 107.32 2k3g s SER 83 Ca 0.00 0.62 -0.26 0.00 0.48 0.00 0.00 55.95 56.78 2k3g s SER 83 Cb 0.00 1.66 -0.28 0.00 0.10 0.00 0.00 66.02 67.51 2k3g s SER 83 CO 0.00 -0.27 0.81 0.44 0.98 0.00 0.00 173.24 175.19 2k3g h ASP 84 N 8.09 0.17 1.84 7.02 5.19 -2.01 -3.36 116.42 133.36 2k3g h ASP 84 Ca -0.21 -0.98 -0.03 0.00 -0.62 0.00 0.00 57.03 55.20 2k3g h ASP 84 Cb 1.15 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.61 2k3g h ASP 84 CO 0.25 1.15 -0.13 0.15 -3.12 0.00 0.00 179.24 177.55 2k3g h PHE 85 N -0.77 0.00 -0.73 4.55 3.57 -1.99 -3.42 116.94 118.14 2k3g h PHE 85 Ca -0.06 0.00 -0.44 0.00 3.53 0.00 0.00 57.97 61.01 2k3g h PHE 85 Cb 1.24 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 2k3g h PHE 85 CO 0.25 0.13 1.28 -0.65 -2.23 0.00 0.00 178.31 177.08 2k3g s GLN 86 N -3.16 3.00 -0.09 1.11 -1.52 -1.26 -4.52 119.66 113.22 2k3g s GLN 86 Ca 0.06 -1.07 0.24 0.00 -1.95 0.00 0.00 55.36 52.64 2k3g s GLN 86 Cb 0.06 -5.27 0.46 0.00 -0.22 0.00 0.00 33.01 28.03 2k3g s GLN 86 CO 0.69 -3.15 1.15 0.00 -0.25 0.00 0.00 175.29 173.73 2k3g s LYS 88 N -1.35 2.11 -0.29 0.00 1.02 -1.26 -4.78 119.74 115.19 2k3g s LYS 88 Ca 0.32 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 56.31 2k3g s LYS 88 Cb 0.37 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2k3g s LYS 88 CO -0.12 -1.46 0.07 -0.51 -0.92 0.00 0.00 175.35 172.40 2k3g s ASP 89 N -4.54 5.05 0.43 2.83 1.11 -1.26 -5.07 116.67 115.21 2k3g s ASP 89 Ca 0.61 -0.74 -0.21 0.00 0.18 0.00 0.00 52.55 52.39 2k3g s ASP 89 Cb -0.11 -1.86 -0.10 0.00 1.07 0.00 0.00 42.92 41.92 2k3g s ASP 89 CO 0.48 -0.19 0.98 -0.44 1.18 0.00 0.00 175.17 177.19 2k3g s SER 90 N 1.48 6.78 -1.05 0.27 0.01 -1.26 -4.95 113.70 114.99 2k3g s SER 90 Ca 0.02 1.80 -0.08 0.00 1.31 0.00 0.00 55.95 59.01 2k3g s SER 90 Cb -0.17 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.41 2k3g s SER 90 CO 0.02 -0.47 3.06 -0.81 0.41 0.00 0.00 173.24 175.44 2k3g n PRO 91 N -0.58 3.27 -2.69 12.44 -0.04 -1.26 -4.29 135.00 141.84 2k3g n PRO 91 Ca 0.07 -2.06 -0.07 0.00 -0.04 0.00 0.00 63.50 61.41 2k3g n PRO 91 Cb 0.53 -2.51 0.10 0.00 -0.04 0.00 0.00 33.50 31.58 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 2.82 1.21 -1.16 0.54 2.85 -1.26 -5.13 118.16 118.02 2k3g n LYS 92 Ca 0.64 -2.09 0.00 0.00 -1.05 0.00 0.00 58.31 55.82 2k3g n LYS 92 Cb 0.45 -0.27 0.00 0.00 -0.65 0.00 0.00 35.03 34.56 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 -0.57 0.00 -1.00 0.58 0.00 -1.26 -5.17 120.51 113.09 2k3g n ALA 93 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k3g n ALA 93 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 -1.34 -0.71 0.00 7.27 -1.26 -4.96 117.38 116.37 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 0.25 0.00 2.41 0.00 0.00 30.24 32.90 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 0.37 0.53 1.69 2.96 -1.26 -4.87 118.68 118.10 2k3g s LEU 95 Ca 0.00 1.10 -0.20 0.00 -0.22 0.00 0.00 54.13 54.81 2k3g s LEU 95 Cb 0.00 -2.89 -0.06 0.00 0.50 0.00 0.00 46.19 43.75 2k3g s LEU 95 CO 0.00 -4.34 1.17 -0.13 -1.32 0.00 0.00 176.35 171.73 2k3g s ARG 96 N -4.88 3.36 0.19 1.98 0.52 -1.26 -4.86 118.95 113.99 2k3g s ARG 96 Ca 0.68 1.73 -0.23 0.00 -0.52 0.00 0.00 55.73 57.40 2k3g s ARG 96 Cb -0.18 -2.10 0.05 0.00 0.52 0.00 0.00 34.95 33.24 2k3g s ARG 96 CO 0.60 -0.88 0.72 -0.98 0.02 0.00 0.00 175.30 174.79 2k3g s ARG 97 N -3.13 1.43 0.09 3.54 1.70 -1.26 -3.09 118.95 118.24 2k3g s ARG 97 Ca 0.72 -0.69 0.08 0.00 -0.47 0.00 0.00 55.73 55.37 2k3g s ARG 97 Cb -0.27 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 2k3g s ARG 97 CO 0.31 -0.65 -0.21 0.99 -1.08 0.00 0.00 175.30 174.67 2k3g s THR 98 N -3.70 1.71 0.04 4.99 2.01 -0.67 -4.99 115.64 115.02 2k3g s THR 98 Ca 0.07 -1.49 -0.05 0.00 0.31 0.00 0.00 61.69 60.54 2k3g s THR 98 Cb -0.03 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 2k3g s THR 98 CO -0.03 -0.01 0.07 -0.51 -0.69 0.00 0.00 174.62 173.46 2k3g s ILE 99 N -1.10 0.14 0.04 1.82 2.07 -1.26 -1.14 121.20 121.76 2k3g s ILE 99 Ca 0.07 -1.12 -0.10 0.00 -1.41 0.00 0.00 60.65 58.09 2k3g s ILE 99 Cb -0.10 -0.86 0.01 0.00 0.13 0.00 0.00 42.46 41.64 2k3g s ILE 99 CO 0.04 -0.62 0.21 -1.61 -1.91 0.00 0.00 174.94 171.06 2k3g s GLU 100 N -2.55 0.71 0.02 3.50 2.02 -0.59 -5.00 118.70 116.81 2k3g s GLU 100 Ca -0.06 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.29 2k3g s GLU 100 Cb -0.02 0.30 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 2k3g s GLU 100 CO -0.04 -0.21 0.08 0.00 0.02 0.00 0.00 175.26 175.10 2k3g n ARG 103 N 3.60 3.00 -3.91 0.00 0.63 -1.26 -1.96 116.66 116.76 2k3g n ARG 103 Ca -0.18 -3.87 -0.10 0.00 -0.92 0.00 0.00 57.85 52.78 2k3g n ARG 103 Cb 0.57 -2.26 -0.10 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 -5.22 0.10 0.23 5.15 -4.23 -1.26 -5.05 115.64 105.37 2k3g s THR 104 Ca 0.51 -0.87 -0.31 0.00 -1.18 0.00 0.00 61.69 59.85 2k3g s THR 104 Cb 0.43 -0.54 -0.11 0.00 1.34 0.00 0.00 72.50 73.62 2k3g s THR 104 CO -0.31 -0.48 1.59 0.54 -0.54 0.00 0.00 174.62 175.42 2k3g s ASN 105 N -1.63 6.48 -1.17 3.99 2.20 -1.26 -1.75 114.94 121.79 2k3g s ASN 105 Ca -0.12 2.80 0.00 0.00 -0.94 0.00 0.00 52.86 54.60 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 -0.87 0.00 0.18 -2.94 0.00 0.00 177.10 173.46 2k3g n LEU 106 N 3.10 -1.13 0.29 3.54 4.77 -0.83 -4.83 117.00 121.92 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 -2.13 0.90 0.00 -2.33 0.00 0.00 43.42 40.23 2k3g n LEU 106 CO 0.63 -0.28 1.07 0.00 -1.33 0.00 0.00 177.39 177.48 2k3g h ASN 108 N 0.00 0.00 -0.83 0.00 4.21 -1.88 -3.31 115.58 113.77 2k3g h ASN 108 Ca -0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2k3g h ASN 108 Cb 0.17 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.33 2k3g h ASN 108 CO 0.01 0.68 0.42 -0.61 -1.29 0.00 0.00 177.43 176.63 2k3g h GLN 109 N 0.00 1.19 -0.62 0.81 4.15 -1.77 -2.00 115.11 116.87 2k3g h GLN 109 Ca -0.01 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2k3g h GLN 109 Cb 1.21 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.68 2k3g h GLN 109 CO 0.09 0.90 0.00 0.66 -1.93 0.00 0.00 178.83 178.55 2k3g n TYR 110 N -4.31 1.61 -3.88 3.99 4.01 -1.25 -4.89 117.16 112.43 2k3g n TYR 110 Ca 0.08 -0.65 -0.35 0.00 -0.16 0.00 0.00 57.90 56.82 2k3g n TYR 110 Cb 0.13 -0.31 -0.13 0.00 -0.31 0.00 0.00 39.34 38.71 2k3g n TYR 110 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2k3g s LEU 111 N -2.10 4.06 -0.27 7.72 2.96 -0.75 -5.08 118.68 125.22 2k3g s LEU 111 Ca 0.52 -1.34 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 2k3g s LEU 111 Cb 0.35 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2k3g s LEU 111 CO 0.22 -0.29 0.26 -1.58 -1.32 0.00 0.00 176.35 173.64 2k3g s GLN 112 N 1.25 4.00 0.38 1.98 0.74 -1.26 -4.94 119.66 121.81 2k3g s GLN 112 Ca -0.04 -0.16 -0.26 0.00 0.05 0.00 0.00 55.36 54.96 2k3g s GLN 112 Cb -0.20 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.18 2k3g s GLN 112 CO -0.01 -0.18 1.16 -1.25 -0.55 0.00 0.00 175.29 174.46 2k3g s PRO 113 N 1.77 4.16 0.02 1.67 0.04 -1.26 -5.06 135.00 136.35 2k3g s PRO 113 Ca 0.11 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2k3g s PRO 113 Cb -0.16 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 2k3g s PRO 113 CO 0.10 -0.23 -0.04 0.95 0.04 0.00 0.00 177.00 177.82 2k3g s THR 114 N -1.38 0.20 0.61 1.26 -4.23 -1.26 -4.98 115.64 105.86 2k3g s THR 114 Ca 0.55 -0.95 -0.17 0.00 -1.18 0.00 0.00 61.69 59.95 2k3g s THR 114 Cb -0.31 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 2k3g s THR 114 CO 0.39 -0.48 1.11 -0.76 -0.54 0.00 0.00 174.62 174.34 2k3g s LEU 115 N -1.49 3.53 0.69 4.79 1.43 -1.26 -4.84 118.68 121.53 2k3g s LEU 115 Ca -0.15 2.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 2k3g s LEU 115 Cb -0.10 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.58 2k3g s LEU 115 CO -0.01 -1.41 1.13 -2.16 0.23 0.00 0.00 176.35 174.13 2k3g s PRO 116 N -3.82 2.59 1.12 1.29 0.04 -1.26 -5.01 135.00 129.95 2k3g s PRO 116 Ca 0.68 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2k3g s PRO 116 Cb -0.21 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 32.67 2k3g s PRO 116 CO 0.36 -1.42 1.05 -2.14 0.04 0.00 0.00 177.00 174.88 2k3g s PRO 117 N -4.11 -0.56 0.74 0.56 0.02 -1.26 -5.02 135.00 125.37 2k3g s PRO 117 Ca 0.68 0.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.28 2k3g s PRO 117 Cb -0.22 -1.61 0.04 0.00 0.02 0.00 0.00 34.50 32.73 2k3g s PRO 117 CO 0.43 -3.44 1.10 0.08 -0.33 0.00 0.00 177.00 174.84 2k3g s VAL 118 N -2.64 3.25 -0.10 3.83 1.01 -1.26 -5.09 120.40 119.41 2k3g s VAL 118 Ca 0.67 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 63.01 2k3g s VAL 118 Cb -0.23 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 32.88 2k3g s VAL 118 CO 0.62 -0.53 0.24 -0.69 0.00 0.00 0.00 175.10 174.74 2k3g s VAL 119 N -3.31 -0.04 -0.19 2.92 1.01 -1.26 -5.13 120.40 114.40 2k3g s VAL 119 Ca 0.59 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 2k3g s VAL 119 Cb -0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2k3g s VAL 119 CO 0.52 0.05 0.60 -0.51 0.00 0.00 0.00 175.10 175.77 2k3g s ILE 120 N 1.11 5.05 0.02 2.22 1.10 -1.26 -4.99 121.20 124.45 2k3g s ILE 120 Ca -0.08 1.13 -0.27 0.00 -0.51 0.00 0.00 60.65 60.92 2k3g s ILE 120 Cb -0.09 -3.92 -0.16 0.00 0.15 0.00 0.00 42.46 38.43 2k3g s ILE 120 CO -0.07 0.14 1.29 1.23 -2.11 0.00 0.00 174.94 175.42 2k3g h GLY 121 N 8.02 -0.68 -1.97 1.50 0.00 -2.07 -3.43 103.07 104.43 2k3g h GLY 121 Ca -0.33 0.25 -0.55 0.00 0.00 0.00 0.00 47.33 46.71 2k3g h GLY 121 CO 0.76 -0.25 0.33 -1.05 0.00 0.00 0.00 176.54 176.34 2k3g n PRO 122 N -5.28 0.62 -3.59 4.80 -0.02 -1.26 -5.05 135.00 125.23 2k3g n PRO 122 Ca -0.11 0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2k3g n PRO 122 Cb 0.31 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.76 -0.27 0.33 6.00 -0.12 -1.26 -5.19 117.98 115.71 2k3g s PHE 123 Ca 0.77 -0.02 -0.13 0.00 -0.05 0.00 0.00 56.93 57.49 2k3g s PHE 123 Cb -0.34 0.33 0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2k3g s PHE 123 CO 0.47 -0.75 0.65 -0.59 -0.05 0.00 0.00 175.22 174.95 2k3g s PHE 124 N -3.80 0.31 -0.50 3.49 -0.71 -1.26 -5.12 117.98 110.40 2k3g s PHE 124 Ca 0.03 -0.79 -0.29 0.00 -1.04 0.00 0.00 56.93 54.84 2k3g s PHE 124 Cb 0.01 0.49 0.03 0.00 -1.21 0.00 0.00 43.02 42.34 2k3g s PHE 124 CO -0.12 -1.30 1.15 0.16 -1.34 0.00 0.00 175.22 173.77 2k3g s ASP 125 N -3.07 6.59 -0.42 1.98 -4.77 -1.26 -4.87 116.67 110.85 2k3g s ASP 125 Ca 0.19 0.37 0.09 0.00 -3.30 0.00 0.00 52.55 49.90 2k3g s ASP 125 Cb -0.03 -2.55 0.33 0.00 -1.09 0.00 0.00 42.92 39.57 2k3g s ASP 125 CO 0.12 -1.31 0.91 0.61 0.70 0.00 0.00 175.17 176.20 2k3g n GLY 126 N 4.91 2.03 3.74 2.12 0.00 -1.26 -5.13 105.19 111.60 2k3g n GLY 126 Ca 0.11 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.81 7.58 -0.02 1.61 0.01 -1.26 -5.04 113.70 114.77 2k3g s SER 127 Ca 0.31 1.88 -0.18 0.00 1.31 0.00 0.00 55.95 59.27 2k3g s SER 127 Cb 0.31 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2k3g s SER 127 CO -0.07 0.05 0.50 -0.63 0.41 0.00 0.00 173.24 173.50 2k3g s ILE 128 N -0.63 4.99 0.00 1.44 1.01 -1.26 -5.32 121.20 121.43 2k3g s ILE 128 Ca 0.44 1.04 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2k3g s ILE 128 Cb -0.25 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2k3g s ILE 128 CO 0.31 0.46 0.00 -1.14 0.00 0.00 0.00 174.94 174.57