#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 2.44 -2.90 1.61 -0.02 -1.26 -4.91 135.00 129.96 2k3g n PRO 29 Ca 0.00 0.85 -0.09 0.00 -2.02 0.00 0.00 63.50 62.24 2k3g n PRO 29 Cb 0.00 -2.94 -0.01 0.00 -0.02 0.00 0.00 33.50 30.53 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 7.60 0.48 -2.50 -0.52 1.02 -1.26 -5.08 120.64 120.39 2k3g n GLU 30 Ca 0.24 -2.28 -0.40 0.00 -0.02 0.00 0.00 57.16 54.70 2k3g n GLU 30 Cb 0.38 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2k3g n GLU 30 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2k3g s ASP 31 N 0.49 6.38 -0.09 1.62 -1.08 -1.26 -4.91 116.67 117.81 2k3g s ASP 31 Ca 0.31 -1.56 -0.02 0.00 -0.52 0.00 0.00 52.55 50.76 2k3g s ASP 31 Cb 0.03 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.95 2k3g s ASP 31 CO -0.10 -1.62 0.04 -0.89 0.52 0.00 0.00 175.17 173.13 2k3g s THR 32 N 5.55 0.13 0.47 1.71 2.01 -1.26 -5.14 115.64 119.10 2k3g s THR 32 Ca 0.51 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.42 2k3g s THR 32 Cb 0.00 -0.46 -0.09 0.00 0.01 0.00 0.00 72.50 71.96 2k3g s THR 32 CO -0.05 0.08 0.98 -0.76 -0.69 0.00 0.00 174.62 174.18 2k3g s LEU 33 N 2.06 3.84 0.09 4.42 1.43 -1.26 -4.89 118.68 124.37 2k3g s LEU 33 Ca 0.04 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 54.56 2k3g s LEU 33 Cb -0.13 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.46 2k3g s LEU 33 CO -0.05 -0.55 1.64 -2.84 0.23 0.00 0.00 176.35 174.78 2k3g s PRO 34 N -3.40 4.20 -0.41 1.29 0.02 -1.26 -4.64 135.00 130.81 2k3g s PRO 34 Ca 0.63 2.35 0.09 0.00 0.02 0.00 0.00 61.00 64.09 2k3g s PRO 34 Cb -0.11 -3.49 0.38 0.00 0.02 0.00 0.00 34.50 31.30 2k3g s PRO 34 CO 0.19 -0.71 1.27 1.97 -0.33 0.00 0.00 177.00 179.39 2k3g n PHE 35 N 5.21 -2.24 -3.43 6.54 -1.74 -1.25 -5.01 117.46 115.54 2k3g n PHE 35 Ca 0.15 -2.07 -0.00 0.00 -0.56 0.00 0.00 57.45 54.97 2k3g n PHE 35 Cb 0.40 1.43 -0.04 0.00 1.52 0.00 0.00 39.48 42.79 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 -2.99 -1.16 -0.17 5.98 2.96 -1.22 -4.96 118.68 117.13 2k3g s LEU 36 Ca 0.23 1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 55.18 2k3g s LEU 36 Cb 0.38 2.07 -0.05 0.00 0.50 0.00 0.00 46.19 49.09 2k3g s LEU 36 CO -0.07 -0.24 0.14 -0.75 -1.32 0.00 0.00 176.35 174.11 2k3g s LYS 37 N 2.83 3.93 -0.01 1.98 2.20 -1.26 -1.74 119.74 127.66 2k3g s LYS 37 Ca 0.07 -0.17 0.08 0.00 -0.36 0.00 0.00 55.97 55.58 2k3g s LYS 37 Cb -0.13 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2k3g s LYS 37 CO -0.19 0.47 -0.25 0.00 -0.36 0.00 0.00 175.35 175.02 2k3g s TYR 39 N -0.60 3.77 -0.06 0.00 5.04 -1.26 -1.72 117.35 122.50 2k3g s TYR 39 Ca 0.10 1.67 0.04 0.00 -2.44 0.00 0.00 57.07 56.44 2k3g s TYR 39 Cb -0.10 -2.82 -0.02 0.00 0.35 0.00 0.00 41.96 39.37 2k3g s TYR 39 CO -0.01 0.34 -0.17 0.00 -1.34 0.00 0.00 175.55 174.37 2k3g s SER 41 N -0.38 2.60 0.00 0.00 0.15 -1.22 -4.86 113.70 109.99 2k3g s SER 41 Ca 0.04 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2k3g s SER 41 Cb -0.12 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2k3g s SER 41 CO 0.02 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2k3g n GLY 42 N 3.11 1.67 3.31 9.45 0.00 -1.26 -2.81 105.19 118.65 2k3g n GLY 42 Ca -0.18 -0.02 -0.35 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 3.01 -0.01 1.61 5.65 -1.26 -5.09 115.29 119.20 2k3g s HIS 43 Ca 0.00 -1.01 0.01 0.00 0.25 0.00 0.00 55.06 54.31 2k3g s HIS 43 Cb 0.00 -2.13 0.01 0.00 -1.18 0.00 0.00 32.58 29.28 2k3g s HIS 43 CO 0.00 -0.57 -0.01 0.00 -0.65 0.00 0.00 174.74 173.51 2k3g s PRO 45 N 0.37 2.11 0.55 0.00 0.04 -1.26 -4.87 135.00 131.94 2k3g s PRO 45 Ca -0.03 1.80 0.23 0.00 0.04 0.00 0.00 61.00 63.04 2k3g s PRO 45 Cb -0.06 -1.82 1.53 0.00 0.04 0.00 0.00 34.50 34.18 2k3g s PRO 45 CO -0.01 -1.87 2.19 -0.44 0.04 0.00 0.00 177.00 176.92 2k3g h ASP 46 N -0.28 0.00 -0.41 6.66 5.19 -2.02 -1.28 116.42 124.27 2k3g h ASP 46 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2k3g h ASP 46 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2k3g h ASP 46 CO 0.50 0.01 0.00 -0.90 -3.12 0.00 0.00 179.24 175.72 2k3g n ASP 47 N -4.19 3.08 -4.85 6.45 5.75 -1.26 -4.97 116.55 116.56 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 0.09 -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 2.81 -0.04 2.12 0.00 -0.48 -5.07 121.76 119.41 2k3g s ALA 48 Ca 0.32 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2k3g s ALA 48 Cb 0.20 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2k3g s ALA 48 CO 0.16 -1.11 -0.20 0.42 0.00 0.00 0.00 175.76 175.03 2k3g s ILE 49 N -3.20 1.63 -1.56 0.00 1.01 -1.11 -4.75 121.20 113.21 2k3g s ILE 49 Ca 0.58 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 2k3g s ILE 49 Cb -0.12 -1.38 0.14 0.00 0.01 0.00 0.00 42.46 41.10 2k3g s ILE 49 CO 0.54 0.46 0.35 -0.46 0.00 0.00 0.00 174.94 175.83 2k3g n ASN 50 N 2.99 -0.79 -3.72 3.58 0.23 -1.26 -0.41 115.26 115.89 2k3g n ASN 50 Ca -0.17 -1.11 -0.25 0.00 -0.53 0.00 0.00 54.58 52.52 2k3g n ASN 50 Cb 0.53 -1.41 0.05 0.00 -2.08 0.00 0.00 39.78 36.87 2k3g n ASN 50 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k3g n ASN 51 N -2.22 -4.31 -4.12 0.53 5.15 -1.26 -5.01 115.26 104.02 2k3g n ASN 51 Ca -0.03 -0.69 -0.09 0.00 -0.60 0.00 0.00 54.58 53.17 2k3g n ASN 51 Cb 0.47 -4.42 -0.10 0.00 -0.53 0.00 0.00 39.78 35.20 2k3g n ASN 51 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2k3g s THR 52 N -3.38 0.13 0.14 -0.44 -4.23 0.45 -2.88 115.64 105.43 2k3g s THR 52 Ca 0.44 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2k3g s THR 52 Cb -0.21 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2k3g s THR 52 CO 0.78 -0.58 0.04 0.00 -0.54 0.00 0.00 174.62 174.32 2k3g s ILE 54 N -3.97 3.31 0.03 0.00 1.01 -1.26 -1.65 121.20 118.66 2k3g s ILE 54 Ca 0.23 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 2k3g s ILE 54 Cb 0.07 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 2k3g s ILE 54 CO 0.02 0.54 -0.01 0.28 0.00 0.00 0.00 174.94 175.77 2k3g s THR 55 N 0.01 0.13 -0.35 2.92 -1.32 -0.71 -5.00 115.64 111.32 2k3g s THR 55 Ca -0.03 -1.11 0.07 0.00 -1.21 0.00 0.00 61.69 59.42 2k3g s THR 55 Cb -0.14 -0.60 0.56 0.00 -1.51 0.00 0.00 72.50 70.81 2k3g s THR 55 CO 0.04 -0.61 1.61 -0.46 -2.21 0.00 0.00 174.62 172.99 2k3g n ASN 56 N 1.19 2.87 0.00 8.08 6.94 -1.26 -3.42 115.26 129.66 2k3g n ASN 56 Ca -0.21 -3.74 0.00 0.00 -0.02 0.00 0.00 54.58 50.61 2k3g n ASN 56 Cb 0.57 -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 -1.14 0.86 3.46 4.83 0.00 -1.18 -4.07 105.19 107.96 2k3g n GLY 57 Ca 0.42 -0.02 -0.11 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 0.48 0.74 -0.02 1.61 3.76 -0.88 -4.87 115.29 116.11 2k3g s HIS 58 Ca 0.00 -1.03 -0.14 0.00 -0.15 0.00 0.00 55.06 53.73 2k3g s HIS 58 Cb 0.00 -0.08 -0.05 0.00 1.11 0.00 0.00 32.58 33.56 2k3g s HIS 58 CO 0.00 -0.93 0.39 0.00 -0.85 0.00 0.00 174.74 173.35 2k3g s PHE 60 N -0.91 1.33 -0.08 0.00 -0.12 -1.11 -2.19 117.98 114.90 2k3g s PHE 60 Ca 0.23 -0.51 -0.15 0.00 -0.05 0.00 0.00 56.93 56.45 2k3g s PHE 60 Cb -0.16 -0.72 0.03 0.00 -0.63 0.00 0.00 43.02 41.54 2k3g s PHE 60 CO 0.12 0.10 0.37 0.00 -0.05 0.00 0.00 175.22 175.77 2k3g s ALA 61 N -1.70 -0.94 0.01 1.99 0.00 -1.01 -2.39 121.76 117.73 2k3g s ALA 61 Ca 0.04 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2k3g s ALA 61 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2k3g s ALA 61 CO 0.03 -0.23 0.05 -1.50 0.00 0.00 0.00 175.76 174.10 2k3g s ILE 62 N -0.61 0.09 0.02 0.00 2.07 -0.57 -1.60 121.20 120.60 2k3g s ILE 62 Ca -0.07 -0.75 0.02 0.00 -1.41 0.00 0.00 60.65 58.43 2k3g s ILE 62 Cb -0.04 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 2k3g s ILE 62 CO 0.03 -0.41 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.08 2k3g s ILE 63 N -1.32 0.42 -0.13 2.00 2.07 -0.45 -2.57 121.20 121.22 2k3g s ILE 63 Ca -0.14 -0.64 -0.11 0.00 -1.41 0.00 0.00 60.65 58.34 2k3g s ILE 63 Cb -0.08 -0.44 0.04 0.00 0.13 0.00 0.00 42.46 42.11 2k3g s ILE 63 CO 0.00 -0.16 0.34 -1.61 -1.91 0.00 0.00 174.94 171.60 2k3g s GLU 64 N -0.86 0.39 -0.32 3.50 2.02 -1.22 -2.05 118.70 120.16 2k3g s GLU 64 Ca -0.05 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.34 2k3g s GLU 64 Cb -0.06 0.15 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 2k3g s GLU 64 CO 0.00 -0.06 0.19 -2.00 0.02 0.00 0.00 175.26 173.41 2k3g s GLU 65 N 0.36 3.53 0.77 1.61 -6.30 -1.21 -1.91 118.70 115.56 2k3g s GLU 65 Ca -0.01 -0.60 -0.06 0.00 -2.50 0.00 0.00 54.97 51.79 2k3g s GLU 65 Cb -0.03 -3.68 0.12 0.00 0.00 0.00 0.00 34.13 30.54 2k3g s GLU 65 CO -0.01 -0.37 1.08 0.16 0.02 0.00 0.00 175.26 176.13 2k3g s ASP 66 N 1.69 4.18 0.48 -1.70 -4.77 -1.04 -4.78 116.67 110.73 2k3g s ASP 66 Ca 0.06 0.05 0.33 0.00 -3.30 0.00 0.00 52.55 49.68 2k3g s ASP 66 Cb -0.17 -0.43 1.76 0.00 -1.09 0.00 0.00 42.92 42.99 2k3g s ASP 66 CO 0.09 -2.00 2.00 0.44 0.70 0.00 0.00 175.17 176.40 2k3g h ASP 67 N -0.82 0.00 0.46 2.11 3.32 -1.98 0.39 116.42 119.90 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 -0.68 0.00 -1.72 0.00 0.00 179.24 177.30 2k3g n GLN 68 N -2.65 0.09 -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 1.46 0.78 3.86 1.08 0.00 0.13 -5.08 105.19 107.42 2k3g n GLY 69 Ca 0.04 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 3.66 -0.19 1.61 2.02 -1.26 -4.89 118.70 118.61 2k3g s GLU 70 Ca 0.00 0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.94 2k3g s GLU 70 Cb 0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2k3g s GLU 70 CO 0.00 0.71 0.37 0.95 0.02 0.00 0.00 175.26 177.31 2k3g s THR 71 N -1.12 5.23 -0.35 3.63 -4.23 -1.26 -2.48 115.64 115.05 2k3g s THR 71 Ca 0.22 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.24 2k3g s THR 71 Cb -0.14 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 2k3g s THR 71 CO 0.11 0.29 0.33 0.42 -0.54 0.00 0.00 174.62 175.23 2k3g s THR 72 N 1.07 5.20 -0.19 3.99 -4.23 -0.80 -4.91 115.64 115.76 2k3g s THR 72 Ca 0.18 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.46 2k3g s THR 72 Cb -0.14 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 2k3g s THR 72 CO 0.07 -0.12 0.27 -0.76 -0.54 0.00 0.00 174.62 173.54 2k3g s LEU 73 N 1.93 4.19 -0.03 4.79 1.43 -1.26 -3.38 118.68 126.35 2k3g s LEU 73 Ca 0.10 0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 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 0.06 0.15 0.00 0.23 0.00 0.00 176.35 176.91 2k3g s ALA 74 N 0.79 -0.37 0.16 4.21 0.00 -1.06 -4.45 121.76 121.03 2k3g s ALA 74 Ca 0.14 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2k3g s ALA 74 Cb -0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2k3g s ALA 74 CO 0.04 -0.14 0.18 -1.54 0.00 0.00 0.00 175.76 174.30 2k3g s SER 75 N -0.65 0.15 0.00 0.00 1.04 -1.12 -1.52 113.70 111.60 2k3g s SER 75 Ca -0.07 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2k3g s SER 75 Cb -0.04 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2k3g s SER 75 CO 0.01 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2k3g n GLY 76 N -0.19 -0.99 3.77 7.32 0.00 -1.01 -3.43 105.19 110.66 2k3g n GLY 76 Ca -0.05 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.00 3.74 0.71 0.00 1.75 -0.83 -4.96 119.30 119.71 2k3g s MET 78 Ca 0.15 -0.44 -0.14 0.00 -1.25 0.00 0.00 55.69 54.02 2k3g s MET 78 Cb -0.13 -3.34 0.02 0.00 2.84 0.00 0.00 34.83 34.22 2k3g s MET 78 CO 0.04 -0.11 1.12 -1.59 -0.65 0.00 0.00 175.02 173.82 2k3g s LYS 79 N 1.42 2.51 0.31 4.11 -2.85 -1.26 -2.07 119.74 121.92 2k3g s LYS 79 Ca 0.06 1.38 -0.29 0.00 -1.00 0.00 0.00 55.97 56.12 2k3g s LYS 79 Cb -0.15 -1.91 -0.10 0.00 -2.06 0.00 0.00 37.83 33.61 2k3g s LYS 79 CO 0.04 -1.47 1.26 -0.47 0.10 0.00 0.00 175.35 174.81 2k3g s TYR 80 N -2.46 3.17 0.19 1.78 6.14 -1.26 -4.67 117.35 120.23 2k3g s TYR 80 Ca 0.66 1.46 0.00 0.00 0.64 0.00 0.00 57.07 59.84 2k3g s TYR 80 Cb -0.21 -3.59 0.00 0.00 0.42 0.00 0.00 41.96 38.58 2k3g s TYR 80 CO 0.46 -1.59 0.00 0.39 0.64 0.00 0.00 175.55 175.45 2k3g n GLU 81 N 0.97 0.00 -3.45 4.97 1.02 -1.26 -5.00 120.64 117.90 2k3g n GLU 81 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2k3g n GLU 81 Cb 0.42 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.73 2k3g n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k3g s GLY 82 N -2.30 0.02 0.00 0.62 0.00 -1.26 -5.00 107.32 99.40 2k3g s GLY 82 Ca 0.00 -0.38 0.29 0.00 0.00 0.00 0.00 44.72 44.62 2k3g s GLY 82 CO 0.00 2.44 1.89 1.44 0.00 0.00 0.00 173.10 178.86 2k3g n SER 83 N 5.30 0.19 0.05 1.64 7.64 -1.26 -3.89 113.62 123.30 2k3g n SER 83 Ca -0.04 -0.09 -0.08 0.00 1.01 0.00 0.00 58.87 59.67 2k3g n SER 83 Cb 0.46 -0.23 -0.13 0.00 -1.01 0.00 0.00 64.21 63.31 2k3g n SER 83 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k3g h ASP 84 N 0.16 0.05 -1.26 6.43 5.19 -2.07 -3.42 116.42 121.51 2k3g h ASP 84 Ca 0.00 -0.06 -0.25 0.00 -0.62 0.00 0.00 57.03 56.10 2k3g h ASP 84 Cb 0.39 -0.02 -0.21 0.00 0.18 0.00 0.00 39.33 39.68 2k3g h ASP 84 CO 0.00 1.05 -0.60 2.22 -3.12 0.00 0.00 179.24 178.79 2k3g n PHE 85 N -3.33 -3.18 -2.69 4.55 -1.74 -1.25 -5.00 117.46 104.82 2k3g n PHE 85 Ca -0.04 -1.81 -0.07 0.00 -0.56 0.00 0.00 57.45 54.98 2k3g n PHE 85 Cb 0.97 1.21 0.10 0.00 1.52 0.00 0.00 39.48 43.28 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 2.85 1.22 -2.70 3.97 6.02 -1.25 -4.97 117.38 122.52 2k3g n GLN 86 Ca 0.20 -2.11 -0.08 0.00 -0.01 0.00 0.00 57.00 55.01 2k3g n GLN 86 Cb 0.55 -0.29 0.10 0.00 1.02 0.00 0.00 30.24 31.61 2k3g n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k3g n LYS 88 N -0.41 0.04 -4.47 0.00 4.76 -1.26 -4.95 118.16 111.87 2k3g n LYS 88 Ca 0.01 -0.10 -0.21 0.00 -2.87 0.00 0.00 58.31 55.13 2k3g n LYS 88 Cb 0.83 0.11 -0.14 0.00 -1.84 0.00 0.00 35.03 34.00 2k3g n LYS 88 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2k3g s ASP 89 N -1.09 1.66 0.33 4.39 -1.08 -1.26 -5.06 116.67 114.56 2k3g s ASP 89 Ca 0.01 -0.37 -0.26 0.00 -0.52 0.00 0.00 52.55 51.41 2k3g s ASP 89 Cb -0.00 -0.14 -0.10 0.00 -1.46 0.00 0.00 42.92 41.22 2k3g s ASP 89 CO 0.01 0.09 0.98 -0.55 0.52 0.00 0.00 175.17 176.22 2k3g s SER 90 N -0.79 7.23 -1.51 -0.34 0.15 -1.26 -4.94 113.70 112.24 2k3g s SER 90 Ca 0.03 1.92 -0.10 0.00 0.70 0.00 0.00 55.95 58.51 2k3g s SER 90 Cb -0.07 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.58 2k3g s SER 90 CO 0.01 -0.15 2.77 -0.81 1.20 0.00 0.00 173.24 176.25 2k3g n PRO 91 N 0.54 3.38 -2.70 5.44 -0.04 -1.26 -4.22 135.00 136.14 2k3g n PRO 91 Ca 0.02 -2.13 -0.04 0.00 -0.04 0.00 0.00 63.50 61.30 2k3g n PRO 91 Cb 0.49 -2.80 0.11 0.00 -0.04 0.00 0.00 33.50 31.26 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 3.96 1.32 -3.68 0.54 4.81 -1.26 -5.11 118.16 118.73 2k3g n LYS 92 Ca 0.71 -1.93 -0.13 0.00 -0.87 0.00 0.00 58.31 56.09 2k3g n LYS 92 Cb 0.23 -0.17 -0.09 0.00 0.02 0.00 0.00 35.03 35.03 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 -0.65 -1.39 -1.05 3.14 0.00 -1.26 -5.07 121.76 115.47 2k3g s ALA 93 Ca 0.18 1.60 -0.02 0.00 0.00 0.00 0.00 51.96 53.73 2k3g s ALA 93 Cb 0.42 -0.93 0.31 0.00 0.00 0.00 0.00 23.12 22.91 2k3g s ALA 93 CO -0.09 -0.27 1.80 1.04 0.00 0.00 0.00 175.76 178.24 2k3g n GLN 94 N 2.88 5.25 -3.86 0.00 6.02 -1.26 -4.95 117.38 121.45 2k3g n GLN 94 Ca -0.14 -4.59 -0.11 0.00 -0.01 0.00 0.00 57.00 52.14 2k3g n GLN 94 Cb 0.56 -2.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.23 2k3g n GLN 94 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2k3g s LEU 95 N -3.96 1.52 -0.23 1.08 2.96 -1.26 -5.15 118.68 113.65 2k3g s LEU 95 Ca 0.38 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 2k3g s LEU 95 Cb 0.17 0.69 -0.03 0.00 0.50 0.00 0.00 46.19 47.51 2k3g s LEU 95 CO -0.09 -0.35 0.08 -0.13 -1.32 0.00 0.00 176.35 174.54 2k3g s ARG 96 N -1.28 3.78 0.19 1.98 0.52 -1.26 -5.08 118.95 117.81 2k3g s ARG 96 Ca -0.14 -0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 54.42 2k3g s ARG 96 Cb -0.07 -3.31 0.05 0.00 0.52 0.00 0.00 34.95 32.14 2k3g s ARG 96 CO 0.02 -0.03 0.72 -0.98 0.02 0.00 0.00 175.30 175.05 2k3g s ARG 97 N 1.20 1.42 0.05 3.54 1.70 -1.26 -3.32 118.95 122.28 2k3g s ARG 97 Ca 0.05 -0.68 0.03 0.00 -0.47 0.00 0.00 55.73 54.66 2k3g s ARG 97 Cb -0.14 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2k3g s ARG 97 CO 0.04 -0.64 -0.10 0.99 -1.08 0.00 0.00 175.30 174.50 2k3g s THR 98 N -3.69 0.78 0.04 4.99 2.01 -0.87 -4.96 115.64 113.94 2k3g s THR 98 Ca 0.07 -1.13 -0.04 0.00 0.31 0.00 0.00 61.69 60.89 2k3g s THR 98 Cb -0.03 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 2k3g s THR 98 CO -0.03 -0.28 0.07 -0.51 -0.69 0.00 0.00 174.62 173.18 2k3g s ILE 99 N -1.27 0.15 0.02 1.82 2.07 -1.26 -1.34 121.20 121.39 2k3g s ILE 99 Ca -0.06 -1.23 -0.06 0.00 -1.41 0.00 0.00 60.65 57.90 2k3g s ILE 99 Cb -0.10 -1.01 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 2k3g s ILE 99 CO 0.01 -0.68 0.10 -1.61 -1.91 0.00 0.00 174.94 170.85 2k3g s GLU 100 N -2.89 0.50 -0.02 3.50 0.41 -0.63 -4.98 118.70 114.59 2k3g s GLU 100 Ca -0.03 -0.58 -0.04 0.00 -0.41 0.00 0.00 54.97 53.91 2k3g s GLU 100 Cb 0.01 0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.56 2k3g s GLU 100 CO -0.06 -0.12 0.10 0.00 -0.49 0.00 0.00 175.26 174.69 2k3g n ARG 103 N 3.70 2.97 -4.02 0.00 0.63 -1.26 -1.78 116.66 116.90 2k3g n ARG 103 Ca -0.18 -3.76 -0.09 0.00 -0.92 0.00 0.00 57.85 52.90 2k3g n ARG 103 Cb 0.57 -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 -5.09 0.20 0.23 5.15 -4.23 -1.26 -5.02 115.64 105.62 2k3g s THR 104 Ca 0.54 -1.13 -0.31 0.00 -1.18 0.00 0.00 61.69 59.61 2k3g s THR 104 Cb 0.44 -0.58 -0.11 0.00 1.34 0.00 0.00 72.50 73.59 2k3g s THR 104 CO -0.25 -0.59 1.64 0.54 -0.54 0.00 0.00 174.62 175.42 2k3g s ASN 105 N -1.79 6.43 -1.19 3.99 4.22 -1.26 -1.74 114.94 123.59 2k3g s ASN 105 Ca -0.10 2.84 0.00 0.00 -2.14 0.00 0.00 52.86 53.46 2k3g s ASN 105 Cb -0.06 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.86 2k3g s ASN 105 CO -0.03 -0.91 0.00 0.18 -2.04 0.00 0.00 177.10 174.30 2k3g n LEU 106 N 3.31 -1.10 0.30 3.54 4.77 -0.74 -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 40.30 2k3g n LEU 106 CO 0.63 -0.33 1.09 0.00 -1.33 0.00 0.00 177.39 177.45 2k3g n ASN 108 N -3.37 0.72 -0.21 0.00 4.13 -1.26 -4.02 115.26 111.25 2k3g n ASN 108 Ca -0.02 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2k3g n ASN 108 Cb 0.15 0.54 0.24 0.00 -1.54 0.00 0.00 39.78 39.17 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 0.98 -0.60 3.52 4.15 -1.78 -1.38 115.11 120.00 2k3g h GLN 109 Ca -0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2k3g h GLN 109 Cb 1.30 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2k3g h GLN 109 CO 0.02 0.66 0.00 0.66 -1.93 0.00 0.00 178.83 178.24 2k3g n TYR 110 N -4.41 1.57 -3.82 3.99 4.01 -1.25 -4.91 117.16 112.33 2k3g n TYR 110 Ca 0.08 -0.65 -0.37 0.00 -0.16 0.00 0.00 57.90 56.80 2k3g n TYR 110 Cb 0.05 -0.31 -0.13 0.00 -0.31 0.00 0.00 39.34 38.64 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 4.11 -0.26 7.72 2.96 -0.52 -5.08 118.68 125.50 2k3g s LEU 111 Ca 0.51 -1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 53.11 2k3g s LEU 111 Cb 0.35 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2k3g s LEU 111 CO 0.21 -0.29 0.31 -1.58 -1.32 0.00 0.00 176.35 173.68 2k3g s GLN 112 N 1.35 4.01 0.50 1.98 0.74 -1.26 -4.93 119.66 122.04 2k3g s GLN 112 Ca -0.03 -0.07 -0.21 0.00 0.05 0.00 0.00 55.36 55.11 2k3g s GLN 112 Cb -0.19 -3.64 -0.07 0.00 1.10 0.00 0.00 33.01 30.20 2k3g s GLN 112 CO 0.01 -0.21 1.09 -1.25 -0.55 0.00 0.00 175.29 174.38 2k3g s PRO 113 N 1.86 3.65 -0.01 1.67 0.04 -1.26 -5.07 135.00 135.89 2k3g s PRO 113 Ca 0.13 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2k3g s PRO 113 Cb -0.16 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2k3g s PRO 113 CO 0.10 -0.58 -0.00 0.95 0.04 0.00 0.00 177.00 177.50 2k3g s THR 114 N -1.83 0.08 0.51 1.26 -4.23 -1.26 -5.02 115.64 105.14 2k3g s THR 114 Ca 0.68 -0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.99 2k3g s THR 114 Cb -0.21 -0.10 -0.07 0.00 1.34 0.00 0.00 72.50 73.46 2k3g s THR 114 CO 0.25 0.04 1.08 -0.76 -0.54 0.00 0.00 174.62 174.69 2k3g s LEU 115 N 0.21 3.82 0.69 4.79 1.43 -1.26 -4.87 118.68 123.50 2k3g s LEU 115 Ca -0.02 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 2k3g s LEU 115 Cb -0.03 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.66 2k3g s LEU 115 CO -0.01 -0.96 1.10 -2.16 0.23 0.00 0.00 176.35 174.55 2k3g s PRO 116 N -3.20 2.66 0.73 1.29 0.04 -1.26 -5.01 135.00 130.25 2k3g s PRO 116 Ca 0.69 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2k3g s PRO 116 Cb -0.20 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.44 2k3g s PRO 116 CO 0.24 -1.35 1.18 -2.14 0.04 0.00 0.00 177.00 174.97 2k3g s PRO 117 N -4.41 2.18 0.18 0.56 0.02 -1.26 -5.06 135.00 127.21 2k3g s PRO 117 Ca 0.64 1.64 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 2k3g s PRO 117 Cb -0.19 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2k3g s PRO 117 CO 0.47 -1.77 0.37 0.08 -0.33 0.00 0.00 177.00 175.81 2k3g s VAL 118 N -2.16 0.05 -0.07 3.83 1.01 -1.26 -5.18 120.40 116.62 2k3g s VAL 118 Ca 0.71 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 2k3g s VAL 118 Cb -0.26 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2k3g s VAL 118 CO 0.46 -0.22 0.43 0.54 0.00 0.00 0.00 175.10 176.31 2k3g s VAL 119 N -3.95 0.03 -0.47 2.92 0.11 -1.26 -5.09 120.40 112.69 2k3g s VAL 119 Ca 0.16 -0.23 0.06 0.00 -2.93 0.00 0.00 61.98 59.04 2k3g s VAL 119 Cb 0.02 -0.70 0.22 0.00 -1.53 0.00 0.00 36.38 34.39 2k3g s VAL 119 CO 0.00 -0.13 0.73 0.00 -3.33 0.00 0.00 175.10 172.38 2k3g n ILE 120 N 1.68 -0.25 0.00 7.04 3.06 -1.26 -5.01 119.36 124.62 2k3g n ILE 120 Ca -0.18 -2.05 0.00 0.00 -2.50 0.00 0.00 62.75 58.01 2k3g n ILE 120 Cb 0.56 0.42 0.00 0.00 0.54 0.00 0.00 39.64 41.17 2k3g n ILE 120 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2k3g n GLY 121 N 2.01 2.25 3.75 4.50 0.00 -1.26 -5.07 105.19 111.37 2k3g n GLY 121 Ca 0.15 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2k3g n GLY 121 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k3g s PRO 122 N 0.00 3.11 0.36 1.61 0.02 -1.26 -5.00 135.00 133.83 2k3g s PRO 122 Ca 0.00 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 62.84 2k3g s PRO 122 Cb 0.00 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 2k3g s PRO 122 CO 0.00 -1.14 0.80 -0.06 -0.33 0.00 0.00 177.00 176.27 2k3g s PHE 123 N -1.46 3.36 -1.02 6.54 0.08 -1.26 -4.94 117.98 119.28 2k3g s PHE 123 Ca 0.74 1.31 -0.14 0.00 0.12 0.00 0.00 56.93 58.96 2k3g s PHE 123 Cb -0.34 -2.62 -0.08 0.00 -0.57 0.00 0.00 43.02 39.41 2k3g s PHE 123 CO 0.39 0.02 2.15 0.34 -0.10 0.00 0.00 175.22 178.02 2k3g n PHE 124 N -0.53 2.00 0.05 0.36 -0.00 -1.26 -4.51 117.46 113.57 2k3g n PHE 124 Ca 0.04 -2.19 -0.16 0.00 -0.00 0.00 0.00 57.45 55.15 2k3g n PHE 124 Cb 0.53 -1.91 -0.14 0.00 -0.00 0.00 0.00 39.48 37.96 2k3g n PHE 124 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 2k3g h ASP 125 N 6.72 0.35 -2.12 -2.13 3.04 -2.04 -3.41 116.42 116.83 2k3g h ASP 125 Ca 0.52 -0.51 -0.55 0.00 -3.24 0.00 0.00 57.03 53.25 2k3g h ASP 125 Cb 0.44 -0.11 -0.41 0.00 -1.04 0.00 0.00 39.33 38.21 2k3g h ASP 125 CO 1.75 1.43 -0.91 0.61 -2.04 0.00 0.00 179.24 180.07 2k3g n GLY 126 N 1.67 4.23 3.31 7.15 0.00 -1.26 -5.07 105.19 115.21 2k3g n GLY 126 Ca -0.17 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.55 2k3g n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3g s SER 127 N -2.46 -0.26 0.00 1.61 0.01 -1.26 -5.15 113.70 106.19 2k3g s SER 127 Ca 0.41 0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.46 2k3g s SER 127 Cb 0.25 0.40 -0.05 0.00 0.21 0.00 0.00 66.02 66.84 2k3g s SER 127 CO -0.09 -0.63 0.66 -0.63 0.41 0.00 0.00 173.24 172.97 2k3g s ILE 128 N -2.28 4.87 -2.49 1.44 1.01 -1.26 -5.12 121.20 117.37 2k3g s ILE 128 Ca -0.07 1.40 0.28 0.00 0.00 0.00 0.00 60.65 62.26 2k3g s ILE 128 Cb -0.01 -4.01 0.56 0.00 0.01 0.00 0.00 42.46 39.01 2k3g s ILE 128 CO -0.01 0.38 1.76 -1.14 0.00 0.00 0.00 174.94 175.93