#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 -2.90 1.61 -0.02 -1.26 -4.92 135.00 130.17 2k3g n PRO 29 Ca 0.00 0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 62.36 2k3g n PRO 29 Cb 0.00 -2.89 -0.01 0.00 -0.02 0.00 0.00 33.50 30.57 2k3g n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2k3g n GLU 30 N 7.10 0.49 -2.52 -0.52 1.02 -1.26 -5.08 120.64 119.87 2k3g n GLU 30 Ca 0.21 -2.27 -0.40 0.00 -0.02 0.00 0.00 57.16 54.67 2k3g n GLU 30 Cb 0.37 -1.50 -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 0.34 1.18 0.00 0.00 177.13 178.65 2k3g s ASP 31 N 0.41 6.48 -0.43 1.62 2.15 -1.26 -4.79 116.67 120.85 2k3g s ASP 31 Ca 0.31 -1.68 0.09 0.00 0.43 0.00 0.00 52.55 51.70 2k3g s ASP 31 Cb 0.03 -2.57 0.30 0.00 -0.30 0.00 0.00 42.92 40.38 2k3g s ASP 31 CO -0.10 -1.53 0.67 0.41 -0.17 0.00 0.00 175.17 174.45 2k3g n THR 32 N 6.84 0.22 -2.67 1.71 -1.04 -1.26 -5.12 114.28 112.97 2k3g n THR 32 Ca 0.38 -4.53 -0.33 0.00 -2.04 0.00 0.00 64.05 57.53 2k3g n THR 32 Cb 0.49 -1.26 -0.05 0.00 -1.82 0.00 0.00 70.33 67.69 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 -2.04 3.86 -0.01 -4.42 1.43 -1.26 -4.89 118.68 111.35 2k3g s LEU 33 Ca 0.39 1.73 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 2k3g s LEU 33 Cb 0.25 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.86 2k3g s LEU 33 CO -0.09 -0.52 1.75 -2.84 0.23 0.00 0.00 176.35 174.88 2k3g s PRO 34 N -3.36 4.17 -0.41 1.29 0.02 -1.26 -4.60 135.00 130.85 2k3g s PRO 34 Ca 0.63 2.33 0.09 0.00 0.02 0.00 0.00 61.00 64.07 2k3g s PRO 34 Cb -0.11 -3.99 0.37 0.00 0.02 0.00 0.00 34.50 30.80 2k3g s PRO 34 CO 0.18 -0.86 1.24 1.97 -0.33 0.00 0.00 177.00 179.20 2k3g n PHE 35 N 7.05 -2.30 -3.39 6.54 -1.74 -1.25 -5.01 117.46 117.35 2k3g n PHE 35 Ca 0.18 -2.10 -0.01 0.00 -0.56 0.00 0.00 57.45 54.97 2k3g n PHE 35 Cb 0.42 1.44 -0.04 0.00 1.52 0.00 0.00 39.48 42.82 2k3g n PHE 35 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2k3g s LEU 36 N -2.89 -1.14 -0.19 5.98 2.96 -1.22 -4.97 118.68 117.21 2k3g s LEU 36 Ca 0.23 1.04 -0.10 0.00 -0.22 0.00 0.00 54.13 55.08 2k3g s LEU 36 Cb 0.37 1.99 -0.05 0.00 0.50 0.00 0.00 46.19 49.00 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 4.16 -0.04 1.98 2.20 -1.26 -1.71 119.74 127.88 2k3g s LYS 37 Ca 0.09 -0.19 0.05 0.00 -0.36 0.00 0.00 55.97 55.55 2k3g s LYS 37 Cb -0.14 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 2k3g s LYS 37 CO -0.19 0.32 -0.17 0.00 -0.36 0.00 0.00 175.35 174.96 2k3g s TYR 39 N -0.72 3.75 -0.07 0.00 5.04 -1.26 -1.70 117.35 122.38 2k3g s TYR 39 Ca 0.11 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 56.31 2k3g s TYR 39 Cb -0.10 -2.72 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 2k3g s TYR 39 CO 0.01 0.38 -0.16 0.00 -1.34 0.00 0.00 175.55 174.43 2k3g s SER 41 N -0.42 2.60 0.00 0.00 0.01 -1.25 -4.86 113.70 109.78 2k3g s SER 41 Ca 0.05 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2k3g s SER 41 Cb -0.12 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.73 2k3g s SER 41 CO 0.02 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2k3g n GLY 42 N 2.64 1.50 3.31 3.44 0.00 -1.26 -2.78 105.19 112.03 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 -1.58 0.00 0.00 0.00 173.32 171.74 2k3g s HIS 43 N 0.00 2.87 -0.01 1.61 5.65 -1.26 -5.07 115.29 119.08 2k3g s HIS 43 Ca 0.00 -0.93 0.01 0.00 0.25 0.00 0.00 55.06 54.39 2k3g s HIS 43 Cb 0.00 -1.97 0.01 0.00 -1.18 0.00 0.00 32.58 29.44 2k3g s HIS 43 CO 0.00 -0.45 -0.02 0.00 -0.65 0.00 0.00 174.74 173.62 2k3g s PRO 45 N 0.27 2.27 0.54 0.00 0.04 -1.26 -4.87 135.00 131.99 2k3g s PRO 45 Ca -0.02 1.96 0.20 0.00 0.04 0.00 0.00 61.00 63.18 2k3g s PRO 45 Cb -0.05 -1.82 1.41 0.00 0.04 0.00 0.00 34.50 34.08 2k3g s PRO 45 CO -0.01 -1.79 2.17 -0.44 0.04 0.00 0.00 177.00 176.98 2k3g h ASP 46 N 0.09 0.00 -0.40 6.66 3.32 -2.02 -1.19 116.42 122.88 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 0.51 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.14 2k3g n ASP 47 N -4.31 3.02 -4.85 6.45 5.75 -1.26 -4.97 116.55 116.38 2k3g n ASP 47 Ca -0.03 -2.24 -0.31 0.00 -0.01 0.00 0.00 54.79 52.20 2k3g n ASP 47 Cb 0.10 -0.44 0.05 0.00 -1.03 0.00 0.00 41.12 39.80 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 2.77 -0.04 2.12 0.00 -0.45 -5.07 121.76 119.40 2k3g s ALA 48 Ca 0.31 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2k3g s ALA 48 Cb 0.20 -3.10 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 2k3g s ALA 48 CO 0.16 -1.15 -0.19 0.42 0.00 0.00 0.00 175.76 174.99 2k3g s ILE 49 N -3.18 1.58 -1.59 0.00 1.01 -1.11 -4.77 121.20 113.14 2k3g s ILE 49 Ca 0.58 -0.82 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 2k3g s ILE 49 Cb -0.12 -1.34 0.15 0.00 0.01 0.00 0.00 42.46 41.15 2k3g s ILE 49 CO 0.54 0.45 0.37 -0.46 0.00 0.00 0.00 174.94 175.84 2k3g n ASN 50 N 2.95 -0.86 -3.75 3.58 0.23 -1.26 -0.30 115.26 115.84 2k3g n ASN 50 Ca -0.17 -1.12 -0.25 0.00 -0.53 0.00 0.00 54.58 52.51 2k3g n ASN 50 Cb 0.53 -1.42 0.04 0.00 -2.08 0.00 0.00 39.78 36.85 2k3g n ASN 50 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k3g n ASN 51 N -2.23 -3.91 -4.10 0.53 3.02 -1.26 -4.99 115.26 102.31 2k3g n ASN 51 Ca -0.02 -0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 53.73 2k3g n ASN 51 Cb 0.47 -4.27 -0.10 0.00 -0.61 0.00 0.00 39.78 35.27 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 -3.41 0.26 0.12 3.41 -4.23 0.59 -2.49 115.64 109.89 2k3g s THR 52 Ca 0.41 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2k3g s THR 52 Cb -0.20 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 2k3g s THR 52 CO 0.80 -0.93 0.03 0.00 -0.54 0.00 0.00 174.62 173.97 2k3g s ILE 54 N -3.96 3.96 0.02 0.00 1.01 -1.26 -1.51 121.20 119.46 2k3g s ILE 54 Ca 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 2k3g s ILE 54 Cb 0.07 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2k3g s ILE 54 CO -0.01 0.52 -0.02 0.28 0.00 0.00 0.00 174.94 175.71 2k3g s THR 55 N 0.09 0.13 -0.35 2.92 -1.32 -0.69 -5.00 115.64 111.41 2k3g s THR 55 Ca -0.00 -1.04 0.07 0.00 -1.21 0.00 0.00 61.69 59.51 2k3g s THR 55 Cb -0.13 -0.47 0.56 0.00 -1.51 0.00 0.00 72.50 70.94 2k3g s THR 55 CO 0.03 -0.57 1.62 -0.46 -2.21 0.00 0.00 174.62 173.02 2k3g n ASN 56 N 1.35 2.99 0.00 8.08 0.23 -1.26 -3.40 115.26 123.24 2k3g n ASN 56 Ca -0.22 -3.74 0.00 0.00 -0.53 0.00 0.00 54.58 50.09 2k3g n ASN 56 Cb 0.56 -0.70 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 0.82 3.52 4.83 0.00 -1.21 -4.32 105.19 107.71 2k3g n GLY 57 Ca 0.43 -0.02 -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 0.39 0.62 0.00 1.61 3.76 -1.01 -4.90 115.29 115.77 2k3g s HIS 58 Ca 0.00 -0.94 -0.16 0.00 -0.15 0.00 0.00 55.06 53.81 2k3g s HIS 58 Cb 0.00 0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.68 2k3g s HIS 58 CO 0.00 -0.99 0.44 0.00 -0.85 0.00 0.00 174.74 173.34 2k3g s PHE 60 N -0.93 1.21 -0.13 0.00 -0.12 -1.09 -2.19 117.98 114.73 2k3g s PHE 60 Ca 0.25 -0.48 -0.16 0.00 -0.05 0.00 0.00 56.93 56.49 2k3g s PHE 60 Cb -0.17 -0.68 0.04 0.00 -0.63 0.00 0.00 43.02 41.58 2k3g s PHE 60 CO 0.14 0.06 0.43 0.00 -0.05 0.00 0.00 175.22 175.80 2k3g s ALA 61 N -1.42 -1.06 0.00 1.99 0.00 -0.94 -2.27 121.76 118.06 2k3g s ALA 61 Ca -0.01 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 2k3g s ALA 61 Cb -0.09 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 2k3g s ALA 61 CO 0.02 -0.23 0.10 -1.50 0.00 0.00 0.00 175.76 174.16 2k3g s ILE 62 N -0.15 0.08 0.02 0.00 2.07 -0.69 -1.62 121.20 120.90 2k3g s ILE 62 Ca -0.03 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.54 2k3g s ILE 62 Cb -0.03 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 2k3g s ILE 62 CO 0.02 -0.37 -0.05 -0.51 -1.91 0.00 0.00 174.94 172.12 2k3g s ILE 63 N -1.29 0.31 -0.04 2.00 2.07 -0.42 -2.37 121.20 121.45 2k3g s ILE 63 Ca -0.14 -0.59 -0.12 0.00 -1.41 0.00 0.00 60.65 58.39 2k3g s ILE 63 Cb -0.08 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.19 2k3g s ILE 63 CO 0.01 -0.19 0.27 -1.61 -1.91 0.00 0.00 174.94 171.51 2k3g s GLU 64 N -0.84 0.52 -0.30 3.50 2.02 -1.20 -1.71 118.70 120.69 2k3g s GLU 64 Ca -0.06 -0.04 -0.11 0.00 0.02 0.00 0.00 54.97 54.79 2k3g s GLU 64 Cb -0.06 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.38 2k3g s GLU 64 CO -0.00 -0.12 0.18 -2.00 0.02 0.00 0.00 175.26 173.34 2k3g s GLU 65 N -0.85 3.66 0.77 1.61 -6.30 -1.16 -1.91 118.70 114.52 2k3g s GLU 65 Ca -0.09 -0.51 -0.06 0.00 -2.50 0.00 0.00 54.97 51.80 2k3g s GLU 65 Cb -0.05 -3.64 0.12 0.00 0.00 0.00 0.00 34.13 30.56 2k3g s GLU 65 CO 0.02 -0.31 1.07 0.16 0.02 0.00 0.00 175.26 176.23 2k3g s ASP 66 N 1.70 4.21 0.54 -1.70 1.47 -0.98 -4.78 116.67 117.13 2k3g s ASP 66 Ca 0.06 0.03 0.36 0.00 1.18 0.00 0.00 52.55 54.18 2k3g s ASP 66 Cb -0.17 -0.42 1.95 0.00 -0.34 0.00 0.00 42.92 43.95 2k3g s ASP 66 CO 0.09 -1.97 2.11 0.44 0.68 0.00 0.00 175.17 176.51 2k3g h ASP 67 N -0.79 0.00 0.32 2.11 3.32 -1.98 0.03 116.42 119.43 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k3g h ASP 67 CO 0.45 0.00 -0.63 0.00 -1.72 0.00 0.00 179.24 177.35 2k3g n GLN 68 N -2.77 0.10 -0.62 3.56 1.13 -1.26 -4.96 117.38 112.55 2k3g n GLN 68 Ca -0.02 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 2k3g n GLN 68 Cb 0.06 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.92 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 1.49 0.69 3.88 1.08 0.00 -0.00 -5.07 105.19 107.25 2k3g n GLY 69 Ca 0.06 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.29 3.62 -0.20 1.61 2.02 -1.26 -4.88 118.70 118.33 2k3g s GLU 70 Ca 0.00 0.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.84 2k3g s GLU 70 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2k3g s GLU 70 CO 0.00 0.66 0.37 0.95 0.02 0.00 0.00 175.26 177.26 2k3g s THR 71 N -1.26 5.22 -0.37 3.63 -4.23 -1.26 -2.31 115.64 115.06 2k3g s THR 71 Ca 0.26 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.28 2k3g s THR 71 Cb -0.14 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.00 2k3g s THR 71 CO 0.15 0.28 0.35 0.42 -0.54 0.00 0.00 174.62 175.27 2k3g s THR 72 N 1.18 5.18 -0.19 3.99 -4.23 -0.80 -4.89 115.64 115.88 2k3g s THR 72 Ca 0.18 -0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.34 2k3g s THR 72 Cb -0.14 -3.88 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 2k3g s THR 72 CO 0.07 -0.20 0.23 -0.76 -0.54 0.00 0.00 174.62 173.42 2k3g s LEU 73 N 1.94 4.20 -0.03 4.79 1.02 -1.26 -3.27 118.68 126.07 2k3g s LEU 73 Ca 0.10 0.35 -0.08 0.00 0.02 0.00 0.00 54.13 54.52 2k3g s LEU 73 Cb -0.17 -2.26 0.01 0.00 0.02 0.00 0.00 46.19 43.79 2k3g s LEU 73 CO 0.12 0.10 0.17 0.00 0.02 0.00 0.00 176.35 176.76 2k3g s ALA 74 N 0.65 -0.42 0.17 4.21 0.00 -1.00 -4.41 121.76 120.95 2k3g s ALA 74 Ca 0.13 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2k3g s ALA 74 Cb -0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 2k3g s ALA 74 CO 0.03 -0.16 0.19 -1.54 0.00 0.00 0.00 175.76 174.27 2k3g s SER 75 N -0.76 0.14 0.00 0.00 1.04 -1.12 -1.71 113.70 111.30 2k3g s SER 75 Ca -0.08 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2k3g s SER 75 Cb -0.05 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2k3g s SER 75 CO 0.01 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2k3g n GLY 76 N -0.21 -0.83 3.76 7.32 0.00 -0.96 -3.96 105.19 110.31 2k3g n GLY 76 Ca -0.04 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 0.08 3.87 0.87 0.00 1.75 -0.72 -4.94 119.30 120.21 2k3g s MET 78 Ca 0.16 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 54.13 2k3g s MET 78 Cb -0.13 -3.47 0.11 0.00 2.84 0.00 0.00 34.83 34.18 2k3g s MET 78 CO 0.04 -0.09 1.10 -1.59 -0.65 0.00 0.00 175.02 173.83 2k3g s LYS 79 N 1.43 1.47 0.52 4.11 -2.85 -1.26 -2.40 119.74 120.76 2k3g s LYS 79 Ca 0.06 1.14 -0.21 0.00 -1.00 0.00 0.00 55.97 55.96 2k3g s LYS 79 Cb -0.15 -1.81 -0.06 0.00 -2.06 0.00 0.00 37.83 33.75 2k3g s LYS 79 CO 0.06 -2.18 1.21 -0.47 0.10 0.00 0.00 175.35 174.06 2k3g s TYR 80 N -2.82 2.63 0.00 1.78 6.14 -1.26 -4.66 117.35 119.15 2k3g s TYR 80 Ca 0.64 1.50 0.04 0.00 0.64 0.00 0.00 57.07 59.89 2k3g s TYR 80 Cb -0.19 -3.47 0.07 0.00 0.42 0.00 0.00 41.96 38.79 2k3g s TYR 80 CO 0.57 -1.93 0.89 -0.85 0.64 0.00 0.00 175.55 174.88 2k3g n GLU 81 N -0.94 0.00 0.00 4.97 0.28 -1.26 -5.01 120.64 118.67 2k3g n GLU 81 Ca 0.10 -0.89 0.00 0.00 -0.16 0.00 0.00 57.16 56.21 2k3g n GLU 81 Cb 0.48 0.20 0.00 0.00 1.43 0.00 0.00 31.44 33.55 2k3g n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k3g n GLY 82 N 0.08 2.93 3.61 -1.84 0.00 -1.26 -5.00 105.19 103.71 2k3g n GLY 82 Ca -0.13 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 6.40 0.04 1.61 0.01 -1.26 -4.87 113.70 115.62 2k3g s SER 83 Ca 0.00 0.98 -0.12 0.00 1.31 0.00 0.00 55.95 58.12 2k3g s SER 83 Cb 0.00 -2.54 -0.33 0.00 0.21 0.00 0.00 66.02 63.36 2k3g s SER 83 CO 0.00 -1.35 1.03 -0.78 0.41 0.00 0.00 173.24 172.55 2k3g h ASP 84 N 10.47 0.71 -1.01 2.44 3.58 -1.99 -3.43 116.42 127.19 2k3g h ASP 84 Ca -0.28 -0.77 -0.26 0.00 0.42 0.00 0.00 57.03 56.14 2k3g h ASP 84 Cb 1.11 -0.23 -0.20 0.00 1.72 0.00 0.00 39.33 41.72 2k3g h ASP 84 CO 1.07 1.60 -0.61 0.33 -2.88 0.00 0.00 179.24 178.75 2k3g n PHE 85 N -3.65 -3.05 -3.58 0.28 7.35 -1.26 -4.96 117.46 108.59 2k3g n PHE 85 Ca -0.15 -1.90 -0.05 0.00 -0.76 0.00 0.00 57.45 54.59 2k3g n PHE 85 Cb 1.08 1.20 -0.07 0.00 0.35 0.00 0.00 39.48 42.04 2k3g n PHE 85 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2k3g s GLN 86 N 0.56 0.43 -0.22 -4.13 -0.21 -1.26 -5.04 119.66 109.79 2k3g s GLN 86 Ca 0.31 1.12 0.23 0.00 0.02 0.00 0.00 55.36 57.05 2k3g s GLN 86 Cb 0.08 0.45 0.49 0.00 1.00 0.00 0.00 33.01 35.03 2k3g s GLN 86 CO -0.13 -0.31 1.12 0.00 -2.12 0.00 0.00 175.29 173.86 2k3g s LYS 88 N -3.12 1.24 -0.13 0.00 -2.85 -1.26 -5.02 119.74 108.60 2k3g s LYS 88 Ca 0.28 0.19 -0.06 0.00 -1.00 0.00 0.00 55.97 55.38 2k3g s LYS 88 Cb 0.33 -1.86 0.06 0.00 -2.06 0.00 0.00 37.83 34.30 2k3g s LYS 88 CO -0.06 -2.11 0.30 0.16 0.10 0.00 0.00 175.35 173.74 2k3g s ASP 89 N -4.21 -0.22 0.79 0.03 -4.77 -1.26 -5.16 116.67 101.87 2k3g s ASP 89 Ca 0.64 0.66 -0.11 0.00 -3.30 0.00 0.00 52.55 50.44 2k3g s ASP 89 Cb -0.13 0.62 0.06 0.00 -1.09 0.00 0.00 42.92 42.38 2k3g s ASP 89 CO 0.52 -0.19 1.09 -0.44 0.70 0.00 0.00 175.17 176.85 2k3g s SER 90 N 1.60 4.52 -1.23 2.11 0.01 -1.26 -4.91 113.70 114.54 2k3g s SER 90 Ca -0.07 1.51 -0.08 0.00 1.31 0.00 0.00 55.95 58.62 2k3g s SER 90 Cb -0.10 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 2k3g s SER 90 CO -0.10 -1.98 2.91 -0.81 0.41 0.00 0.00 173.24 173.67 2k3g n PRO 91 N -3.46 3.58 -2.13 12.44 -0.04 -1.26 -3.73 135.00 140.41 2k3g n PRO 91 Ca 0.07 -2.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.17 2k3g n PRO 91 Cb 0.55 -2.59 0.05 0.00 -0.04 0.00 0.00 33.50 31.47 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 2.77 0.92 -0.12 0.54 3.00 -1.26 -5.15 118.16 118.87 2k3g n LYS 92 Ca 0.67 -1.52 0.00 0.00 -0.00 0.00 0.00 58.31 57.46 2k3g n LYS 92 Cb 0.36 0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.53 2k3g n LYS 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k3g n ALA 93 N -0.83 0.00 -1.00 3.14 0.00 -1.24 -5.07 120.51 115.51 2k3g n ALA 93 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k3g n ALA 93 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 -0.98 -1.21 -0.76 0.00 -0.06 -1.26 -4.98 117.38 108.12 2k3g n GLN 94 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 2k3g n GLN 94 Cb 0.00 0.00 0.22 0.00 -4.06 0.00 0.00 30.24 26.40 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 1.22 0.21 1.69 2.96 -1.26 -4.83 118.68 118.67 2k3g s LEU 95 Ca 0.00 1.46 -0.30 0.00 -0.22 0.00 0.00 54.13 55.07 2k3g s LEU 95 Cb 0.00 -3.49 -0.09 0.00 0.50 0.00 0.00 46.19 43.10 2k3g s LEU 95 CO 0.00 -3.78 1.36 -0.13 -1.32 0.00 0.00 176.35 172.49 2k3g s ARG 96 N -4.64 4.34 0.19 1.98 0.52 -1.26 -4.88 118.95 115.20 2k3g s ARG 96 Ca 0.67 2.14 -0.23 0.00 -0.52 0.00 0.00 55.73 57.80 2k3g s ARG 96 Cb -0.23 -3.17 0.05 0.00 0.52 0.00 0.00 34.95 32.13 2k3g s ARG 96 CO 0.62 -0.33 0.72 -0.98 0.02 0.00 0.00 175.30 175.35 2k3g s ARG 97 N -0.09 1.44 0.09 3.54 1.70 -1.26 -2.99 118.95 121.37 2k3g s ARG 97 Ca 0.58 -0.69 0.08 0.00 -0.47 0.00 0.00 55.73 55.23 2k3g s ARG 97 Cb -0.38 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2k3g s ARG 97 CO 0.39 -0.65 -0.20 0.99 -1.08 0.00 0.00 175.30 174.76 2k3g s THR 98 N -3.70 1.62 0.03 4.99 2.01 -0.69 -4.97 115.64 114.93 2k3g s THR 98 Ca 0.07 -1.44 -0.05 0.00 0.31 0.00 0.00 61.69 60.58 2k3g s THR 98 Cb -0.03 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 2k3g s THR 98 CO -0.03 -0.03 0.08 -0.51 -0.69 0.00 0.00 174.62 173.44 2k3g s ILE 99 N -1.10 0.13 0.00 1.82 2.07 -1.26 -1.30 121.20 121.56 2k3g s ILE 99 Ca 0.06 -1.09 -0.10 0.00 -1.41 0.00 0.00 60.65 58.10 2k3g s ILE 99 Cb -0.10 -0.83 0.01 0.00 0.13 0.00 0.00 42.46 41.68 2k3g s ILE 99 CO 0.04 -0.60 0.21 -1.61 -1.91 0.00 0.00 174.94 171.07 2k3g s GLU 100 N -2.47 0.59 0.01 3.50 2.02 -0.64 -5.02 118.70 116.69 2k3g s GLU 100 Ca -0.06 -0.36 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 2k3g s GLU 100 Cb -0.02 0.25 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 2k3g s GLU 100 CO -0.04 -0.16 0.07 0.00 0.02 0.00 0.00 175.26 175.16 2k3g n ARG 103 N 3.77 3.42 -3.89 0.00 0.63 -1.26 -1.97 116.66 117.34 2k3g n ARG 103 Ca -0.18 -4.06 -0.11 0.00 -0.92 0.00 0.00 57.85 52.58 2k3g n ARG 103 Cb 0.57 -2.30 -0.10 0.00 0.45 0.00 0.00 32.46 31.09 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 0.10 0.22 5.15 -4.23 -1.26 -5.05 115.64 105.55 2k3g s THR 104 Ca 0.49 -0.80 -0.31 0.00 -1.18 0.00 0.00 61.69 59.88 2k3g s THR 104 Cb 0.37 -0.52 -0.11 0.00 1.34 0.00 0.00 72.50 73.59 2k3g s THR 104 CO -0.29 -0.44 1.60 0.54 -0.54 0.00 0.00 174.62 175.48 2k3g s ASN 105 N -1.56 6.49 -1.11 3.99 4.22 -1.26 -1.69 114.94 124.01 2k3g s ASN 105 Ca -0.13 2.78 0.00 0.00 -2.14 0.00 0.00 52.86 53.37 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 -0.00 -0.87 0.00 0.18 -2.04 0.00 0.00 177.10 174.37 2k3g n LEU 106 N 3.26 -1.10 0.29 3.54 4.77 -0.78 -4.83 117.00 122.15 2k3g n LEU 106 Ca 0.12 0.22 0.15 0.00 -0.03 0.00 0.00 56.01 56.47 2k3g n LEU 106 Cb 0.38 -2.10 0.87 0.00 -2.33 0.00 0.00 43.42 40.23 2k3g n LEU 106 CO 0.63 -0.23 1.06 0.00 -1.33 0.00 0.00 177.39 177.52 2k3g h ASN 108 N 0.00 0.03 -0.76 0.00 4.21 -1.88 -3.32 115.58 113.87 2k3g h ASN 108 Ca -0.00 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.45 2k3g h ASN 108 Cb 0.17 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.32 2k3g h ASN 108 CO 0.01 0.67 0.33 -0.61 -1.29 0.00 0.00 177.43 176.54 2k3g h GLN 109 N 0.02 1.13 -0.64 0.81 4.15 -1.76 -2.00 115.11 116.82 2k3g h GLN 109 Ca -0.01 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.22 2k3g h GLN 109 Cb 1.16 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.65 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 -4.29 1.68 -3.85 3.99 4.01 -1.25 -4.89 117.16 112.55 2k3g n TYR 110 Ca 0.07 -0.65 -0.36 0.00 -0.16 0.00 0.00 57.90 56.81 2k3g n TYR 110 Cb 0.17 -0.32 -0.13 0.00 -0.31 0.00 0.00 39.34 38.74 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 4.01 -0.26 7.72 2.96 -0.75 -5.08 118.68 125.16 2k3g s LEU 111 Ca 0.53 -1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.11 2k3g s LEU 111 Cb 0.36 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 2k3g s LEU 111 CO 0.23 -0.28 0.33 -1.58 -1.32 0.00 0.00 176.35 173.73 2k3g s GLN 112 N 1.32 4.02 0.26 1.98 0.74 -1.26 -4.95 119.66 121.76 2k3g s GLN 112 Ca -0.04 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.05 2k3g s GLN 112 Cb -0.19 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 2k3g s GLN 112 CO 0.00 -0.21 1.18 -1.25 -0.55 0.00 0.00 175.29 174.46 2k3g s PRO 113 N 1.87 4.53 0.02 1.67 0.04 -1.26 -5.05 135.00 136.82 2k3g s PRO 113 Ca 0.13 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2k3g s PRO 113 Cb -0.16 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2k3g s PRO 113 CO 0.10 0.02 -0.04 0.95 0.04 0.00 0.00 177.00 178.06 2k3g s THR 114 N -0.75 0.20 0.45 1.26 -4.23 -1.26 -5.02 115.64 106.30 2k3g s THR 114 Ca 0.49 -0.94 -0.23 0.00 -1.18 0.00 0.00 61.69 59.82 2k3g s THR 114 Cb -0.34 -0.33 -0.08 0.00 1.34 0.00 0.00 72.50 73.09 2k3g s THR 114 CO 0.42 -0.48 1.12 -0.76 -0.54 0.00 0.00 174.62 174.39 2k3g s LEU 115 N -1.48 4.01 0.53 4.79 1.43 -1.26 -4.83 118.68 121.87 2k3g s LEU 115 Ca -0.15 2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 54.95 2k3g s LEU 115 Cb -0.10 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 41.78 2k3g s LEU 115 CO -0.01 -0.83 1.12 -2.16 0.23 0.00 0.00 176.35 174.70 2k3g s PRO 116 N -2.74 3.46 0.38 1.29 0.04 -1.26 -4.99 135.00 131.17 2k3g s PRO 116 Ca 0.63 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.99 2k3g s PRO 116 Cb -0.26 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2k3g s PRO 116 CO 0.31 -0.76 1.22 -1.25 0.04 0.00 0.00 177.00 176.57 2k3g s PRO 117 N -3.23 4.14 0.18 0.56 0.04 -1.26 -5.04 135.00 130.39 2k3g s PRO 117 Ca 0.71 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.63 2k3g s PRO 117 Cb -0.23 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2k3g s PRO 117 CO 0.26 -0.29 0.37 0.08 0.04 0.00 0.00 177.00 177.46 2k3g s VAL 118 N -1.30 0.05 0.00 -0.36 1.01 -1.26 -5.15 120.40 113.39 2k3g s VAL 118 Ca 0.54 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 2k3g s VAL 118 Cb -0.35 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2k3g s VAL 118 CO 0.44 -0.23 0.60 0.54 0.00 0.00 0.00 175.10 176.46 2k3g s VAL 119 N -3.94 4.89 -0.21 2.92 0.11 -1.26 -5.06 120.40 117.85 2k3g s VAL 119 Ca 0.15 1.27 -0.07 0.00 -2.93 0.00 0.00 61.98 60.40 2k3g s VAL 119 Cb 0.02 -3.94 0.10 0.00 -1.53 0.00 0.00 36.38 31.02 2k3g s VAL 119 CO -0.01 0.42 0.43 -0.51 -3.33 0.00 0.00 175.10 172.11 2k3g s ILE 120 N -0.22 -0.67 0.00 7.04 1.10 -1.26 -5.12 121.20 122.07 2k3g s ILE 120 Ca 0.31 0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 2k3g s ILE 120 Cb -0.18 -0.70 0.00 0.00 0.15 0.00 0.00 42.46 41.73 2k3g s ILE 120 CO 0.18 0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.67 2k3g n GLY 121 N 5.39 0.08 3.75 1.50 0.00 -1.26 -4.74 105.19 109.91 2k3g n GLY 121 Ca -0.08 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 2.52 -3.02 1.61 -0.02 -1.26 -4.98 135.00 129.85 2k3g n PRO 122 Ca 0.00 0.88 -0.36 0.00 -2.02 0.00 0.00 63.50 62.00 2k3g n PRO 122 Cb 0.00 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 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 -1.11 3.66 -0.27 6.00 -0.12 -1.26 -5.06 117.98 119.83 2k3g s PHE 123 Ca 0.54 1.48 -0.04 0.00 -0.05 0.00 0.00 56.93 58.87 2k3g s PHE 123 Cb -0.50 -2.69 0.15 0.00 -0.63 0.00 0.00 43.02 39.34 2k3g s PHE 123 CO 0.63 0.31 0.50 -0.59 -0.05 0.00 0.00 175.22 176.03 2k3g s PHE 124 N -1.54 -1.19 0.00 3.49 -0.71 -1.26 -5.16 117.98 111.61 2k3g s PHE 124 Ca 0.45 1.46 -0.23 0.00 -1.04 0.00 0.00 56.93 57.57 2k3g s PHE 124 Cb -0.17 0.37 0.05 0.00 -1.21 0.00 0.00 43.02 42.06 2k3g s PHE 124 CO 0.22 -0.74 0.50 0.34 -1.34 0.00 0.00 175.22 174.20 2k3g s ASP 125 N 2.72 -0.42 -0.52 1.98 2.15 -1.26 -5.04 116.67 116.27 2k3g s ASP 125 Ca 0.11 0.30 0.02 0.00 0.43 0.00 0.00 52.55 53.41 2k3g s ASP 125 Cb -0.14 0.45 0.55 0.00 -0.30 0.00 0.00 42.92 43.48 2k3g s ASP 125 CO -0.18 -0.61 1.89 0.61 -0.17 0.00 0.00 175.17 176.71 2k3g n GLY 126 N 0.79 5.24 3.37 2.66 0.00 -1.26 -4.94 105.19 111.04 2k3g n GLY 126 Ca -0.19 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.78 -0.38 -0.08 1.61 0.01 -1.26 -5.15 113.70 106.67 2k3g s SER 127 Ca 0.59 0.06 -0.20 0.00 1.31 0.00 0.00 55.95 57.72 2k3g s SER 127 Cb 0.48 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 67.15 2k3g s SER 127 CO 0.04 -0.73 0.54 -0.63 0.41 0.00 0.00 173.24 172.88 2k3g s ILE 128 N -2.67 5.10 -2.50 1.44 1.01 -1.26 -5.17 121.20 117.15 2k3g s ILE 128 Ca -0.04 1.11 0.28 0.00 0.00 0.00 0.00 60.65 62.00 2k3g s ILE 128 Cb -0.00 -3.88 0.55 0.00 0.01 0.00 0.00 42.46 39.14 2k3g s ILE 128 CO -0.04 0.34 1.75 -1.14 0.00 0.00 0.00 174.94 175.85