#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 2.64 -2.90 1.61 -0.02 -1.26 -4.92 135.00 130.15 2k3g n PRO 29 Ca 0.00 0.97 -0.10 0.00 -2.02 0.00 0.00 63.50 62.35 2k3g n PRO 29 Cb 0.00 -2.88 -0.01 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 7.05 0.49 -2.53 -0.52 1.02 -1.26 -5.08 120.64 119.81 2k3g n GLU 30 Ca 0.21 -2.28 -0.41 0.00 -0.02 0.00 0.00 57.16 54.66 2k3g n GLU 30 Cb 0.37 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.46 6.52 -0.19 1.62 1.01 -1.26 -4.90 116.67 119.94 2k3g s ASP 31 Ca 0.31 -1.75 -0.09 0.00 0.71 0.00 0.00 52.55 51.73 2k3g s ASP 31 Cb 0.03 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.46 2k3g s ASP 31 CO -0.10 -1.49 0.42 -0.89 0.21 0.00 0.00 175.17 173.33 2k3g s THR 32 N 5.11 -0.28 -0.26 -1.27 2.01 -1.26 -5.13 115.64 114.55 2k3g s THR 32 Ca 0.50 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 2k3g s THR 32 Cb 0.01 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.88 2k3g s THR 32 CO -0.03 0.05 1.02 -0.76 -0.69 0.00 0.00 174.62 174.21 2k3g s LEU 33 N 1.91 4.05 0.39 4.42 1.43 -1.26 -4.96 118.68 124.66 2k3g s LEU 33 Ca -0.06 1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.98 2k3g s LEU 33 Cb -0.10 -3.49 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 2k3g s LEU 33 CO -0.13 -0.72 1.43 -2.84 0.23 0.00 0.00 176.35 174.32 2k3g s PRO 34 N 3.30 4.01 -0.38 1.29 0.02 -1.26 -4.87 135.00 137.11 2k3g s PRO 34 Ca 0.43 2.45 0.11 0.00 0.02 0.00 0.00 61.00 64.01 2k3g s PRO 34 Cb -0.14 -2.88 0.40 0.00 0.02 0.00 0.00 34.50 31.91 2k3g s PRO 34 CO 0.09 -0.57 1.33 1.97 -0.33 0.00 0.00 177.00 179.49 2k3g n PHE 35 N 0.29 -1.88 -3.36 6.54 -1.74 -1.25 -5.01 117.46 111.06 2k3g n PHE 35 Ca 0.02 -2.01 0.02 0.00 -0.56 0.00 0.00 57.45 54.92 2k3g n PHE 35 Cb 0.41 1.31 -0.02 0.00 1.52 0.00 0.00 39.48 42.69 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 -3.32 -1.20 -0.19 5.98 2.96 -1.23 -4.92 118.68 116.76 2k3g s LEU 36 Ca 0.21 1.11 -0.10 0.00 -0.22 0.00 0.00 54.13 55.14 2k3g s LEU 36 Cb 0.41 2.15 -0.05 0.00 0.50 0.00 0.00 46.19 49.20 2k3g s LEU 36 CO -0.08 -0.23 0.13 -0.75 -1.32 0.00 0.00 176.35 174.11 2k3g s LYS 37 N 2.86 4.08 -0.03 1.98 2.20 -1.26 -1.98 119.74 127.59 2k3g s LYS 37 Ca 0.08 -0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2k3g s LYS 37 Cb -0.13 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2k3g s LYS 37 CO -0.19 0.37 -0.20 0.00 -0.36 0.00 0.00 175.35 174.97 2k3g s TYR 39 N -0.69 3.77 -0.07 0.00 5.04 -1.26 -1.85 117.35 122.28 2k3g s TYR 39 Ca 0.11 1.62 0.03 0.00 -2.44 0.00 0.00 57.07 56.39 2k3g s TYR 39 Cb -0.10 -2.78 -0.02 0.00 0.35 0.00 0.00 41.96 39.41 2k3g s TYR 39 CO 0.00 0.37 -0.15 0.00 -1.34 0.00 0.00 175.55 174.43 2k3g s SER 41 N -0.39 2.60 0.00 0.00 0.01 -1.25 -4.86 113.70 109.81 2k3g s SER 41 Ca 0.04 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2k3g s SER 41 Cb -0.12 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2k3g s SER 41 CO 0.02 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2k3g n GLY 42 N 2.67 1.50 3.32 3.44 0.00 -1.26 -2.74 105.19 112.12 2k3g n GLY 42 Ca -0.16 -0.01 -0.34 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 2.88 -0.01 1.61 3.76 -1.26 -5.07 115.29 117.20 2k3g s HIS 43 Ca 0.00 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 54.05 2k3g s HIS 43 Cb 0.00 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.73 2k3g s HIS 43 CO 0.00 -0.41 -0.01 0.00 -0.85 0.00 0.00 174.74 173.46 2k3g s PRO 45 N 0.33 2.18 0.54 0.00 0.04 -1.26 -4.86 135.00 131.98 2k3g s PRO 45 Ca -0.03 1.94 0.21 0.00 0.04 0.00 0.00 61.00 63.16 2k3g s PRO 45 Cb -0.05 -1.82 1.47 0.00 0.04 0.00 0.00 34.50 34.13 2k3g s PRO 45 CO -0.01 -1.85 2.18 -0.44 0.04 0.00 0.00 177.00 176.93 2k3g h ASP 46 N -0.03 0.00 -0.40 6.66 3.32 -2.02 -1.14 116.42 122.80 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 0.00 179.24 177.14 2k3g n ASP 47 N -4.25 3.04 -4.88 6.45 5.68 -1.26 -4.97 116.55 116.37 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 0.03 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 3.00 -0.01 2.12 0.00 -0.43 -5.07 121.76 119.66 2k3g s ALA 48 Ca 0.31 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2k3g s ALA 48 Cb 0.20 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2k3g s ALA 48 CO 0.16 -0.90 -0.19 0.42 0.00 0.00 0.00 175.76 175.24 2k3g s ILE 49 N -3.26 1.49 -1.69 0.00 1.01 -1.11 -4.79 121.20 112.85 2k3g s ILE 49 Ca 0.56 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 2k3g s ILE 49 Cb -0.11 -1.24 0.17 0.00 0.01 0.00 0.00 42.46 41.29 2k3g s ILE 49 CO 0.53 0.41 0.42 -0.46 0.00 0.00 0.00 174.94 175.85 2k3g n ASN 50 N 2.60 -1.07 -3.79 3.58 6.94 -1.26 -0.29 115.26 121.98 2k3g n ASN 50 Ca -0.15 -1.18 -0.26 0.00 -0.02 0.00 0.00 54.58 52.97 2k3g n ASN 50 Cb 0.53 -1.50 0.04 0.00 -2.36 0.00 0.00 39.78 36.50 2k3g n ASN 50 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k3g n ASN 51 N -2.36 -4.19 -4.02 0.53 3.02 -1.26 -5.00 115.26 101.98 2k3g n ASN 51 Ca 0.01 -0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 53.74 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 -3.39 0.16 0.13 3.41 -4.23 0.61 -2.78 115.64 109.55 2k3g s THR 52 Ca 0.47 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2k3g s THR 52 Cb -0.23 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 2k3g s THR 52 CO 0.80 -0.73 0.05 0.00 -0.54 0.00 0.00 174.62 174.21 2k3g s ILE 54 N -4.01 2.56 0.04 0.00 1.01 -1.26 -1.59 121.20 117.95 2k3g s ILE 54 Ca 0.24 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2k3g s ILE 54 Cb 0.07 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 2k3g s ILE 54 CO 0.02 0.55 0.09 0.28 0.00 0.00 0.00 174.94 175.88 2k3g s THR 55 N 0.15 0.14 -0.36 2.92 -1.32 -0.84 -5.03 115.64 111.31 2k3g s THR 55 Ca -0.10 -1.16 0.07 0.00 -1.21 0.00 0.00 61.69 59.29 2k3g s THR 55 Cb -0.16 -0.98 0.56 0.00 -1.51 0.00 0.00 72.50 70.41 2k3g s THR 55 CO 0.06 -0.64 1.62 -0.46 -2.21 0.00 0.00 174.62 172.99 2k3g n ASN 56 N 0.65 3.11 0.00 8.08 6.94 -1.26 -3.52 115.26 129.25 2k3g n ASN 56 Ca -0.18 -3.74 0.00 0.00 -0.02 0.00 0.00 54.58 50.64 2k3g n ASN 56 Cb 0.59 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 2k3g n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k3g n GLY 57 N -1.12 1.09 3.23 4.83 0.00 -1.23 -4.49 105.19 107.51 2k3g n GLY 57 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 2k3g n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 58 N 1.34 1.31 -0.02 1.61 3.76 -1.09 -4.83 115.29 117.38 2k3g s HIS 58 Ca 0.00 -1.42 -0.14 0.00 -0.15 0.00 0.00 55.06 53.34 2k3g s HIS 58 Cb 0.00 -0.62 -0.05 0.00 1.11 0.00 0.00 32.58 33.02 2k3g s HIS 58 CO 0.00 -0.66 0.38 0.00 -0.85 0.00 0.00 174.74 173.61 2k3g s PHE 60 N -0.95 1.33 -0.09 0.00 -0.12 -1.10 -2.38 117.98 114.66 2k3g s PHE 60 Ca 0.23 -0.45 -0.14 0.00 -0.05 0.00 0.00 56.93 56.51 2k3g s PHE 60 Cb -0.16 -0.74 0.03 0.00 -0.63 0.00 0.00 43.02 41.52 2k3g s PHE 60 CO 0.12 0.09 0.36 0.00 -0.05 0.00 0.00 175.22 175.74 2k3g s ALA 61 N -1.26 -0.89 0.00 1.99 0.00 -1.05 -2.36 121.76 118.19 2k3g s ALA 61 Ca -0.00 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 2k3g s ALA 61 Cb -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2k3g s ALA 61 CO 0.03 -0.21 0.12 -1.50 0.00 0.00 0.00 175.76 174.20 2k3g s ILE 62 N -0.38 0.08 -0.07 0.00 2.07 -0.70 -1.48 121.20 120.72 2k3g s ILE 62 Ca -0.05 -0.66 -0.02 0.00 -1.41 0.00 0.00 60.65 58.51 2k3g s ILE 62 Cb -0.03 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.19 2k3g s ILE 62 CO 0.02 -0.36 0.04 -0.51 -1.91 0.00 0.00 174.94 172.22 2k3g s ILE 63 N -1.28 0.10 0.00 2.00 2.07 -0.31 -2.49 121.20 121.29 2k3g s ILE 63 Ca -0.14 0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2k3g s ILE 63 Cb -0.07 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 2k3g s ILE 63 CO 0.01 0.15 0.06 -1.61 -1.91 0.00 0.00 174.94 171.65 2k3g s GLU 64 N 2.08 2.99 -0.31 3.50 2.02 -1.19 -1.63 118.70 126.16 2k3g s GLU 64 Ca 0.04 -0.53 -0.11 0.00 0.02 0.00 0.00 54.97 54.40 2k3g s GLU 64 Cb -0.13 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 2k3g s GLU 64 CO -0.05 0.64 0.19 -2.00 0.02 0.00 0.00 175.26 174.06 2k3g s GLU 65 N -1.75 3.52 0.80 1.61 -6.30 -1.11 -2.26 118.70 113.21 2k3g s GLU 65 Ca 0.23 -0.61 -0.08 0.00 -2.50 0.00 0.00 54.97 52.00 2k3g s GLU 65 Cb -0.12 -3.67 0.13 0.00 0.00 0.00 0.00 34.13 30.48 2k3g s GLU 65 CO 0.14 -0.38 1.12 0.16 0.02 0.00 0.00 175.26 176.32 2k3g s ASP 66 N 1.68 4.06 0.51 -1.70 1.47 -1.01 -4.75 116.67 116.93 2k3g s ASP 66 Ca 0.06 0.15 0.34 0.00 1.18 0.00 0.00 52.55 54.28 2k3g s ASP 66 Cb -0.17 -0.50 1.84 0.00 -0.34 0.00 0.00 42.92 43.75 2k3g s ASP 66 CO 0.09 -2.09 2.05 0.44 0.68 0.00 0.00 175.17 176.34 2k3g h ASP 67 N -0.96 0.00 0.38 2.11 3.32 -1.98 0.08 116.42 119.37 2k3g h ASP 67 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 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 0.00 179.24 177.30 2k3g n GLN 68 N -2.72 0.04 -0.52 3.56 1.13 -1.26 -4.97 117.38 112.65 2k3g n GLN 68 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2k3g n GLN 68 Cb 0.07 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 28.90 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 1.48 0.69 3.89 1.08 0.00 0.01 -5.08 105.19 107.26 2k3g n GLY 69 Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.94 3.68 -0.09 1.61 2.02 -1.26 -4.88 118.70 118.84 2k3g s GLU 70 Ca 0.00 0.04 -0.14 0.00 0.02 0.00 0.00 54.97 54.89 2k3g s GLU 70 Cb 0.00 -2.79 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 2k3g s GLU 70 CO 0.00 0.43 0.34 0.95 0.02 0.00 0.00 175.26 177.00 2k3g s THR 71 N -1.69 5.21 -0.39 3.63 -4.23 -1.26 -2.41 115.64 114.50 2k3g s THR 71 Ca 0.43 0.67 -0.13 0.00 -1.18 0.00 0.00 61.69 61.48 2k3g s THR 71 Cb -0.12 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.08 2k3g s THR 71 CO 0.23 0.48 0.25 0.42 -0.54 0.00 0.00 174.62 175.46 2k3g s THR 72 N -0.27 4.93 -0.14 3.99 -4.23 -0.96 -4.96 115.64 114.00 2k3g s THR 72 Ca 0.20 -0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 59.87 2k3g s THR 72 Cb -0.15 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 2k3g s THR 72 CO 0.08 -0.25 0.25 -0.76 -0.54 0.00 0.00 174.62 173.40 2k3g s LEU 73 N 1.62 4.29 -0.06 4.79 1.02 -1.26 -3.18 118.68 125.90 2k3g s LEU 73 Ca 0.04 0.50 -0.11 0.00 0.02 0.00 0.00 54.13 54.57 2k3g s LEU 73 Cb -0.19 -2.29 0.02 0.00 0.02 0.00 0.00 46.19 43.75 2k3g s LEU 73 CO 0.08 0.19 0.27 0.00 0.02 0.00 0.00 176.35 176.92 2k3g s ALA 74 N 0.02 -0.68 0.17 4.21 0.00 -1.04 -4.45 121.76 120.00 2k3g s ALA 74 Ca 0.15 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 2k3g s ALA 74 Cb -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2k3g s ALA 74 CO 0.04 -0.19 0.19 -1.54 0.00 0.00 0.00 175.76 174.26 2k3g s SER 75 N -0.65 0.14 0.00 0.00 1.04 -1.11 -1.73 113.70 111.40 2k3g s SER 75 Ca -0.07 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.24 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 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2k3g n GLY 76 N -0.21 -0.86 3.76 7.32 0.00 -1.00 -3.80 105.19 110.40 2k3g n GLY 76 Ca -0.04 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 3.94 0.98 0.00 1.75 -0.80 -4.95 119.30 120.27 2k3g s MET 78 Ca 0.17 -0.33 -0.12 0.00 -1.25 0.00 0.00 55.69 54.16 2k3g s MET 78 Cb -0.13 -3.55 0.18 0.00 2.84 0.00 0.00 34.83 34.17 2k3g s MET 78 CO 0.05 -0.09 1.08 -1.59 -0.65 0.00 0.00 175.02 173.83 2k3g s LYS 79 N 1.46 0.59 0.51 4.11 -2.85 -1.26 -2.68 119.74 119.62 2k3g s LYS 79 Ca 0.07 0.89 -0.22 0.00 -1.00 0.00 0.00 55.97 55.71 2k3g s LYS 79 Cb -0.15 -1.73 -0.06 0.00 -2.06 0.00 0.00 37.83 33.84 2k3g s LYS 79 CO 0.07 -2.72 1.24 -0.47 0.10 0.00 0.00 175.35 173.57 2k3g s TYR 80 N -2.78 2.58 0.00 1.78 6.14 -1.26 -4.67 117.35 119.14 2k3g s TYR 80 Ca 0.65 1.47 0.00 0.00 0.64 0.00 0.00 57.07 59.84 2k3g s TYR 80 Cb -0.20 -3.55 0.00 0.00 0.42 0.00 0.00 41.96 38.63 2k3g s TYR 80 CO 0.59 -2.12 0.00 0.39 0.64 0.00 0.00 175.55 175.05 2k3g n GLU 81 N -0.88 0.00 0.00 4.97 1.02 -1.26 -5.05 120.64 119.45 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 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 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 1.17 2.60 3.68 0.62 0.00 -1.26 -5.11 105.19 106.89 2k3g n GLY 82 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 6.87 0.06 1.61 0.01 -1.26 -4.92 113.70 116.06 2k3g s SER 83 Ca 0.00 2.05 -0.15 0.00 1.31 0.00 0.00 55.95 59.16 2k3g s SER 83 Cb 0.00 -2.56 -0.28 0.00 0.21 0.00 0.00 66.02 63.40 2k3g s SER 83 CO 0.00 -0.72 1.12 0.44 0.41 0.00 0.00 173.24 174.49 2k3g h ASP 84 N 7.95 0.88 -0.03 2.44 3.32 -2.04 -3.41 116.42 125.53 2k3g h ASP 84 Ca -0.36 -0.80 -0.16 0.00 0.02 0.00 0.00 57.03 55.72 2k3g h ASP 84 Cb 1.17 -0.28 -0.19 0.00 0.22 0.00 0.00 39.33 40.25 2k3g h ASP 84 CO 0.91 1.59 -0.46 0.49 -1.72 0.00 0.00 179.24 180.05 2k3g n PHE 85 N -3.82 -0.48 -1.25 4.55 3.72 -1.26 -4.98 117.46 113.94 2k3g n PHE 85 Ca -0.13 -0.97 -0.37 0.00 -0.05 0.00 0.00 57.45 55.93 2k3g n PHE 85 Cb 0.96 0.65 -0.03 0.00 -0.94 0.00 0.00 39.48 40.12 2k3g n PHE 85 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2k3g n GLN 86 N -0.41 2.52 -0.87 -1.08 1.13 -1.26 -4.53 117.38 112.87 2k3g n GLN 86 Ca -0.18 -2.04 -0.07 0.00 -1.94 0.00 0.00 57.00 52.78 2k3g n GLN 86 Cb 0.82 -2.88 0.19 0.00 0.11 0.00 0.00 30.24 28.49 2k3g n GLN 86 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k3g n LYS 88 N -1.13 -0.73 -3.53 0.00 4.76 -1.26 -4.70 118.16 111.57 2k3g n LYS 88 Ca 0.36 -2.09 -0.16 0.00 -2.87 0.00 0.00 58.31 53.55 2k3g n LYS 88 Cb 1.09 -0.99 -0.13 0.00 -1.84 0.00 0.00 35.03 33.17 2k3g n LYS 88 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2k3g s ASP 89 N -5.11 0.99 0.46 4.39 -4.77 -1.26 -5.01 116.67 106.37 2k3g s ASP 89 Ca 0.65 0.04 -0.19 0.00 -3.30 0.00 0.00 52.55 49.75 2k3g s ASP 89 Cb -0.02 0.52 -0.09 0.00 -1.09 0.00 0.00 42.92 42.23 2k3g s ASP 89 CO 0.45 -0.30 0.96 -0.44 0.70 0.00 0.00 175.17 176.53 2k3g s SER 90 N 2.37 6.79 -0.91 2.11 0.01 -1.26 -4.96 113.70 117.85 2k3g s SER 90 Ca 0.06 1.61 -0.07 0.00 1.31 0.00 0.00 55.95 58.86 2k3g s SER 90 Cb -0.15 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 2k3g s SER 90 CO -0.11 -0.46 3.04 -0.81 0.41 0.00 0.00 173.24 175.31 2k3g n PRO 91 N -1.06 3.16 -2.69 12.44 -0.04 -1.26 -4.26 135.00 141.28 2k3g n PRO 91 Ca 0.07 -2.08 -0.06 0.00 -0.04 0.00 0.00 63.50 61.39 2k3g n PRO 91 Cb 0.54 -2.43 0.10 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.53 1.24 -1.12 0.54 4.81 -1.26 -5.13 118.16 119.77 2k3g n LYS 92 Ca 0.61 -2.04 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 2k3g n LYS 92 Cb 0.49 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.31 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k3g n ALA 93 N -0.67 0.00 -1.00 3.14 0.00 -1.26 -5.17 120.51 115.54 2k3g n ALA 93 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 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 -1.31 -1.36 0.00 -0.06 -1.26 -4.90 117.38 108.49 2k3g n GLN 94 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.67 2k3g n GLN 94 Cb 0.00 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 26.28 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2k3g s LEU 95 N 0.00 3.23 0.29 1.69 0.20 -1.26 -4.86 118.68 117.98 2k3g s LEU 95 Ca 0.00 2.22 -0.29 0.00 0.69 0.00 0.00 54.13 56.75 2k3g s LEU 95 Cb 0.00 -4.57 -0.10 0.00 -0.43 0.00 0.00 46.19 41.09 2k3g s LEU 95 CO 0.00 -2.26 1.28 -0.13 -0.29 0.00 0.00 176.35 174.95 2k3g s ARG 96 N -4.14 4.41 0.19 1.98 0.52 -1.26 -4.91 118.95 115.73 2k3g s ARG 96 Ca 0.71 2.12 -0.23 0.00 -0.52 0.00 0.00 55.73 57.80 2k3g s ARG 96 Cb -0.25 -3.12 0.05 0.00 0.52 0.00 0.00 34.95 32.15 2k3g s ARG 96 CO 0.47 -0.14 0.72 -0.98 0.02 0.00 0.00 175.30 175.39 2k3g s ARG 97 N -1.33 1.42 0.09 3.54 1.70 -1.26 -2.74 118.95 120.38 2k3g s ARG 97 Ca 0.50 -0.68 0.07 0.00 -0.47 0.00 0.00 55.73 55.15 2k3g s ARG 97 Cb -0.38 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 2k3g s ARG 97 CO 0.47 -0.64 -0.09 0.99 -1.08 0.00 0.00 175.30 174.95 2k3g s THR 98 N -3.70 3.42 0.04 4.99 2.01 -0.65 -4.98 115.64 116.77 2k3g s THR 98 Ca 0.07 -1.20 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 2k3g s THR 98 Cb -0.03 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 2k3g s THR 98 CO -0.03 0.15 0.08 -0.51 -0.69 0.00 0.00 174.62 173.62 2k3g s ILE 99 N -1.19 0.14 0.01 1.82 2.07 -1.26 -1.17 121.20 121.62 2k3g s ILE 99 Ca 0.21 -1.13 -0.05 0.00 -1.41 0.00 0.00 60.65 58.27 2k3g s ILE 99 Cb -0.11 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 2k3g s ILE 99 CO 0.13 -0.62 0.08 -1.61 -1.91 0.00 0.00 174.94 171.00 2k3g s GLU 100 N -2.63 0.42 -0.03 3.50 2.02 -0.55 -4.95 118.70 116.49 2k3g s GLU 100 Ca -0.05 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 2k3g s GLU 100 Cb -0.01 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.40 2k3g s GLU 100 CO -0.05 -0.09 0.07 0.00 0.02 0.00 0.00 175.26 175.21 2k3g n ARG 103 N 4.08 2.91 -4.06 0.00 0.63 -1.26 -1.63 116.66 117.33 2k3g n ARG 103 Ca -0.20 -3.70 -0.12 0.00 -0.92 0.00 0.00 57.85 52.91 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 -5.11 0.49 0.23 5.15 -4.23 -1.26 -5.02 115.64 105.89 2k3g s THR 104 Ca 0.53 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 2k3g s THR 104 Cb 0.44 -0.71 -0.11 0.00 1.34 0.00 0.00 72.50 73.46 2k3g s THR 104 CO -0.30 -0.47 1.62 0.54 -0.54 0.00 0.00 174.62 175.47 2k3g s ASN 105 N -1.78 6.46 -1.16 3.99 4.22 -1.26 -1.74 114.94 123.67 2k3g s ASN 105 Ca -0.08 2.81 0.00 0.00 -2.14 0.00 0.00 52.86 53.45 2k3g s ASN 105 Cb -0.08 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.84 2k3g s ASN 105 CO -0.01 -0.89 0.00 0.18 -2.04 0.00 0.00 177.10 174.34 2k3g n LEU 106 N 3.27 -1.09 0.30 3.54 4.77 -0.70 -4.82 117.00 122.27 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 -2.10 0.96 0.00 -2.33 0.00 0.00 43.42 40.32 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 -3.33 0.79 -0.25 0.00 4.13 -1.26 -4.03 115.26 111.32 2k3g n ASN 108 Ca -0.02 0.33 -0.01 0.00 1.68 0.00 0.00 54.58 56.55 2k3g n ASN 108 Cb 0.16 0.41 0.19 0.00 -1.54 0.00 0.00 39.78 39.00 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 1.06 -0.62 3.52 4.15 -1.74 -1.61 115.11 119.88 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 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2k3g h GLN 109 CO 0.02 0.76 0.00 0.66 -1.93 0.00 0.00 178.83 178.34 2k3g n TYR 110 N -4.37 1.64 -3.87 3.99 4.01 -1.25 -4.91 117.16 112.40 2k3g n TYR 110 Ca 0.08 -0.65 -0.36 0.00 -0.16 0.00 0.00 57.90 56.81 2k3g n TYR 110 Cb 0.08 -0.32 -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 -2.13 3.75 -0.26 7.72 2.96 -0.61 -5.08 118.68 125.04 2k3g s LEU 111 Ca 0.52 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 2k3g s LEU 111 Cb 0.35 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2k3g s LEU 111 CO 0.22 -0.22 0.34 -1.58 -1.32 0.00 0.00 176.35 173.79 2k3g s GLN 112 N 1.34 4.03 0.39 1.98 0.74 -1.26 -4.93 119.66 121.95 2k3g s GLN 112 Ca -0.02 0.00 -0.26 0.00 0.05 0.00 0.00 55.36 55.14 2k3g s GLN 112 Cb -0.18 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.20 2k3g s GLN 112 CO -0.01 -0.22 1.16 -1.25 -0.55 0.00 0.00 175.29 174.42 2k3g s PRO 113 N 1.90 4.13 0.03 1.67 0.04 -1.26 -5.05 135.00 136.44 2k3g s PRO 113 Ca 0.14 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2k3g s PRO 113 Cb -0.16 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 2k3g s PRO 113 CO 0.10 -0.25 -0.04 0.95 0.04 0.00 0.00 177.00 177.79 2k3g s THR 114 N -1.40 0.21 0.52 1.26 -4.23 -1.26 -5.02 115.64 105.71 2k3g s THR 114 Ca 0.56 -0.95 -0.20 0.00 -1.18 0.00 0.00 61.69 59.92 2k3g s THR 114 Cb -0.30 -0.34 -0.07 0.00 1.34 0.00 0.00 72.50 73.12 2k3g s THR 114 CO 0.39 -0.48 1.09 -0.76 -0.54 0.00 0.00 174.62 174.32 2k3g s LEU 115 N -1.49 3.78 0.61 4.79 1.43 -1.26 -4.85 118.68 121.68 2k3g s LEU 115 Ca -0.15 2.07 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 2k3g s LEU 115 Cb -0.10 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.53 2k3g s LEU 115 CO -0.01 -1.04 1.13 -2.16 0.23 0.00 0.00 176.35 174.50 2k3g s PRO 116 N -3.28 3.01 0.26 1.29 0.04 -1.26 -4.97 135.00 130.08 2k3g s PRO 116 Ca 0.70 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2k3g s PRO 116 Cb -0.21 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 2k3g s PRO 116 CO 0.24 -1.11 1.32 -1.25 0.04 0.00 0.00 177.00 176.24 2k3g s PRO 117 N -3.71 4.37 0.07 0.56 0.04 -1.26 -4.94 135.00 130.14 2k3g s PRO 117 Ca 0.70 2.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.77 2k3g s PRO 117 Cb -0.23 -3.13 -0.25 0.00 0.04 0.00 0.00 34.50 30.93 2k3g s PRO 117 CO 0.35 -0.23 1.16 0.28 0.04 0.00 0.00 177.00 178.60 2k3g h VAL 118 N 3.40 1.32 -3.27 -0.36 2.07 -2.00 -3.44 116.25 113.97 2k3g h VAL 118 Ca -0.47 -2.49 -0.57 0.00 0.82 0.00 0.00 66.70 63.99 2k3g h VAL 118 Cb 1.22 2.63 -0.06 0.00 -1.52 0.00 0.00 31.29 33.56 2k3g h VAL 118 CO 0.72 0.75 -0.05 -0.69 0.02 0.00 0.00 177.57 178.32 2k3g s VAL 119 N -3.04 4.95 -0.38 2.57 1.01 -1.26 -5.04 120.40 119.20 2k3g s VAL 119 Ca -0.08 1.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 2k3g s VAL 119 Cb 0.06 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.56 2k3g s VAL 119 CO 0.92 0.43 0.68 -0.63 0.00 0.00 0.00 175.10 176.50 2k3g s ILE 120 N -0.24 4.82 -1.88 2.22 1.01 -1.26 -4.90 121.20 120.96 2k3g s ILE 120 Ca 0.29 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.53 2k3g s ILE 120 Cb -0.18 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.15 2k3g s ILE 120 CO 0.16 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.30 2k3g n GLY 121 N 4.71 0.57 3.67 6.18 0.00 -1.26 -5.08 105.19 113.98 2k3g n GLY 121 Ca 0.00 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.21 0.68 -3.73 1.61 -0.02 -1.26 -5.04 135.00 127.03 2k3g n PRO 122 Ca 0.00 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.68 2k3g n PRO 122 Cb 0.00 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.08 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 -1.70 -0.11 -0.23 6.00 -0.12 -1.26 -5.07 117.98 115.49 2k3g s PHE 123 Ca 0.77 -0.23 -0.13 0.00 -0.05 0.00 0.00 56.93 57.29 2k3g s PHE 123 Cb -0.35 0.37 0.07 0.00 -0.63 0.00 0.00 43.02 42.47 2k3g s PHE 123 CO 0.47 -0.89 0.56 0.12 -0.05 0.00 0.00 175.22 175.42 2k3g s PHE 124 N -3.87 -0.83 -0.13 3.49 5.36 -1.26 -5.05 117.98 115.70 2k3g s PHE 124 Ca 0.09 1.71 0.10 0.00 -0.96 0.00 0.00 56.93 57.87 2k3g s PHE 124 Cb -0.01 0.44 0.24 0.00 -0.34 0.00 0.00 43.02 43.35 2k3g s PHE 124 CO -0.03 -0.43 1.21 -0.40 -1.46 0.00 0.00 175.22 174.10 2k3g n ASP 125 N 4.17 -0.61 -0.02 6.13 5.75 -1.26 -4.95 116.55 125.77 2k3g n ASP 125 Ca -0.21 -2.07 -0.06 0.00 -0.01 0.00 0.00 54.79 52.44 2k3g n ASP 125 Cb 0.57 0.26 0.14 0.00 -1.03 0.00 0.00 41.12 41.06 2k3g n ASP 125 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2k3g h GLY 126 N 0.71 0.64 -4.22 6.12 0.00 -2.09 -3.43 103.07 100.80 2k3g h GLY 126 Ca -0.44 -0.56 -0.52 0.00 0.00 0.00 0.00 47.33 45.81 2k3g h GLY 126 CO -0.16 0.51 0.31 -0.45 0.00 0.00 0.00 176.54 176.76 2k3g s SER 127 N -6.81 7.43 -0.04 0.19 0.15 -1.26 -5.04 113.70 108.33 2k3g s SER 127 Ca -0.08 1.71 -0.18 0.00 0.70 0.00 0.00 55.95 58.10 2k3g s SER 127 Cb 0.13 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 2k3g s SER 127 CO 0.81 -0.05 0.52 -0.63 1.20 0.00 0.00 173.24 175.09 2k3g s ILE 128 N 0.00 5.02 -2.50 6.45 1.01 -1.26 -5.22 121.20 124.70 2k3g s ILE 128 Ca 0.45 1.06 0.28 0.00 0.00 0.00 0.00 60.65 62.44 2k3g s ILE 128 Cb -0.23 -3.85 0.55 0.00 0.01 0.00 0.00 42.46 38.95 2k3g s ILE 128 CO 0.28 0.43 1.75 -1.14 0.00 0.00 0.00 174.94 176.26