#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 2.65 -2.90 1.61 -0.02 -1.26 -4.92 135.00 130.16 2k3g n PRO 29 Ca 0.00 0.97 -0.09 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 30.58 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 7.09 0.50 -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 -0.51 1.18 0.00 0.00 177.13 177.80 2k3g s ASP 31 N 0.41 6.49 -0.12 1.62 1.01 -1.26 -4.90 116.67 119.93 2k3g s ASP 31 Ca 0.31 -1.73 -0.04 0.00 0.71 0.00 0.00 52.55 51.79 2k3g s ASP 31 Cb 0.03 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.45 2k3g s ASP 31 CO -0.10 -1.51 0.24 -0.89 0.21 0.00 0.00 175.17 173.11 2k3g s THR 32 N 5.19 -0.38 0.40 -1.27 2.01 -1.26 -5.15 115.64 115.18 2k3g s THR 32 Ca 0.50 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 2k3g s THR 32 Cb 0.01 -0.41 -0.11 0.00 0.01 0.00 0.00 72.50 72.01 2k3g s THR 32 CO -0.03 0.13 0.94 -0.76 -0.69 0.00 0.00 174.62 174.21 2k3g s LEU 33 N 2.39 4.05 0.11 4.42 1.43 -1.26 -4.94 118.68 124.88 2k3g s LEU 33 Ca 0.02 1.72 -0.31 0.00 -1.03 0.00 0.00 54.13 54.52 2k3g s LEU 33 Cb -0.12 -4.38 -0.09 0.00 0.03 0.00 0.00 46.19 41.63 2k3g s LEU 33 CO -0.08 -0.27 1.57 -2.84 0.23 0.00 0.00 176.35 174.95 2k3g s PRO 34 N -2.86 4.23 -0.39 1.29 0.02 -1.26 -4.66 135.00 131.36 2k3g s PRO 34 Ca 0.59 2.29 0.10 0.00 0.02 0.00 0.00 61.00 64.00 2k3g s PRO 34 Cb -0.12 -3.36 0.39 0.00 0.02 0.00 0.00 34.50 31.44 2k3g s PRO 34 CO 0.16 -0.63 1.25 1.97 -0.33 0.00 0.00 177.00 179.42 2k3g n PHE 35 N 4.66 -1.84 -3.41 6.54 -1.74 -1.25 -5.02 117.46 115.39 2k3g n PHE 35 Ca 0.14 -2.14 -0.01 0.00 -0.56 0.00 0.00 57.45 54.89 2k3g n PHE 35 Cb 0.40 1.23 -0.04 0.00 1.52 0.00 0.00 39.48 42.59 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 -3.07 -1.14 -0.20 5.98 2.96 -1.22 -4.95 118.68 117.04 2k3g s LEU 36 Ca 0.23 1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 55.13 2k3g s LEU 36 Cb 0.40 2.03 -0.05 0.00 0.50 0.00 0.00 46.19 49.06 2k3g s LEU 36 CO -0.06 -0.25 0.14 -0.75 -1.32 0.00 0.00 176.35 174.11 2k3g s LYS 37 N 2.82 4.19 -0.04 1.98 2.20 -1.26 -1.76 119.74 127.85 2k3g s LYS 37 Ca 0.08 -0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.52 2k3g s LYS 37 Cb -0.14 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2k3g s LYS 37 CO -0.19 0.30 -0.15 0.00 -0.36 0.00 0.00 175.35 174.95 2k3g s TYR 39 N -0.73 3.75 -0.07 0.00 5.04 -1.26 -1.83 117.35 122.25 2k3g s TYR 39 Ca 0.12 1.52 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 2k3g s TYR 39 Cb -0.11 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.47 2k3g s TYR 39 CO 0.01 0.39 -0.14 0.00 -1.34 0.00 0.00 175.55 174.47 2k3g s SER 41 N -0.49 2.63 0.00 0.00 0.15 -1.26 -4.85 113.70 109.89 2k3g s SER 41 Ca 0.06 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.26 2k3g s SER 41 Cb -0.12 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2k3g s SER 41 CO 0.02 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2k3g n GLY 42 N 3.29 1.60 3.38 9.45 0.00 -1.26 -3.07 105.19 118.57 2k3g n GLY 42 Ca -0.19 -0.01 -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 0.30 0.00 0.00 0.00 173.32 173.62 2k3g s HIS 43 N 0.00 2.97 -0.01 1.61 3.76 -1.26 -5.07 115.29 117.29 2k3g s HIS 43 Ca 0.00 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2k3g s HIS 43 Cb 0.00 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.64 2k3g s HIS 43 CO 0.00 -0.37 -0.01 0.00 -0.85 0.00 0.00 174.74 173.51 2k3g s PRO 45 N 0.37 2.16 0.54 0.00 0.04 -1.26 -4.86 135.00 131.99 2k3g s PRO 45 Ca -0.03 1.92 0.21 0.00 0.04 0.00 0.00 61.00 63.14 2k3g s PRO 45 Cb -0.06 -1.82 1.46 0.00 0.04 0.00 0.00 34.50 34.12 2k3g s PRO 45 CO -0.01 -1.86 2.18 0.22 0.04 0.00 0.00 177.00 177.57 2k3g h ASP 46 N -0.09 0.00 -0.42 6.66 3.58 -2.02 -1.03 116.42 123.10 2k3g h ASP 46 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k3g h ASP 46 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2k3g h ASP 46 CO 0.50 0.01 0.00 -0.90 -2.88 0.00 0.00 179.24 175.98 2k3g n ASP 47 N -4.25 3.11 -4.84 2.28 5.75 -1.26 -4.98 116.55 112.36 2k3g n ASP 47 Ca -0.03 -2.25 -0.31 0.00 -0.01 0.00 0.00 54.79 52.19 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 2.75 -0.03 2.12 0.00 -0.39 -5.07 121.76 119.45 2k3g s ALA 48 Ca 0.32 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.21 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 -1.17 -0.18 0.42 0.00 0.00 0.00 175.76 174.99 2k3g s ILE 49 N -3.18 1.43 -1.58 0.00 1.01 -1.12 -4.77 121.20 112.99 2k3g s ILE 49 Ca 0.58 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 2k3g s ILE 49 Cb -0.13 -1.21 0.14 0.00 0.01 0.00 0.00 42.46 41.28 2k3g s ILE 49 CO 0.54 0.41 0.36 -0.46 0.00 0.00 0.00 174.94 175.78 2k3g n ASN 50 N 2.90 -0.81 -3.74 3.58 0.23 -1.26 -0.58 115.26 115.59 2k3g n ASN 50 Ca -0.16 -1.12 -0.26 0.00 -0.53 0.00 0.00 54.58 52.51 2k3g n ASN 50 Cb 0.53 -1.42 0.05 0.00 -2.08 0.00 0.00 39.78 36.86 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 -2.25 -4.44 -4.10 0.53 5.15 -1.26 -5.01 115.26 103.89 2k3g n ASN 51 Ca -0.03 -0.70 -0.10 0.00 -0.60 0.00 0.00 54.58 53.16 2k3g n ASN 51 Cb 0.47 -4.39 -0.09 0.00 -0.53 0.00 0.00 39.78 35.25 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 -3.37 0.09 0.13 -0.44 -4.23 0.26 -2.94 115.64 105.14 2k3g s THR 52 Ca 0.47 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 2k3g s THR 52 Cb -0.22 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 2k3g s THR 52 CO 0.79 -0.43 0.01 0.00 -0.54 0.00 0.00 174.62 174.45 2k3g s ILE 54 N -3.85 3.32 0.03 0.00 1.01 -1.26 -1.57 121.20 118.87 2k3g s ILE 54 Ca 0.20 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2k3g s ILE 54 Cb 0.07 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2k3g s ILE 54 CO 0.00 0.54 -0.03 0.28 0.00 0.00 0.00 174.94 175.72 2k3g s THR 55 N 0.06 0.18 -0.36 2.92 -1.32 -0.72 -5.01 115.64 111.39 2k3g s THR 55 Ca -0.04 -1.17 0.06 0.00 -1.21 0.00 0.00 61.69 59.33 2k3g s THR 55 Cb -0.14 -0.64 0.55 0.00 -1.51 0.00 0.00 72.50 70.76 2k3g s THR 55 CO 0.04 -0.63 1.61 -0.46 -2.21 0.00 0.00 174.62 172.98 2k3g n ASN 56 N 1.17 3.30 0.00 8.08 6.94 -1.26 -3.42 115.26 130.07 2k3g n ASN 56 Ca -0.21 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.60 2k3g n ASN 56 Cb 0.57 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 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 -1.10 0.97 3.43 4.83 0.00 -1.23 -4.51 105.19 107.59 2k3g n GLY 57 Ca 0.43 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 0.58 0.80 -0.02 1.61 3.76 -1.16 -4.85 115.29 116.02 2k3g s HIS 58 Ca 0.00 -1.08 -0.14 0.00 -0.15 0.00 0.00 55.06 53.69 2k3g s HIS 58 Cb 0.00 -0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.50 2k3g s HIS 58 CO 0.00 -0.90 0.39 0.00 -0.85 0.00 0.00 174.74 173.38 2k3g s PHE 60 N -0.95 1.23 -0.11 0.00 -0.12 -1.09 -2.40 117.98 114.53 2k3g s PHE 60 Ca 0.23 -0.42 -0.16 0.00 -0.05 0.00 0.00 56.93 56.52 2k3g s PHE 60 Cb -0.16 -0.70 0.04 0.00 -0.63 0.00 0.00 43.02 41.57 2k3g s PHE 60 CO 0.12 0.05 0.42 0.00 -0.05 0.00 0.00 175.22 175.76 2k3g s ALA 61 N -1.14 -1.04 -0.00 1.99 0.00 -1.03 -2.16 121.76 118.39 2k3g s ALA 61 Ca -0.01 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 2k3g s ALA 61 Cb -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2k3g s ALA 61 CO 0.02 -0.23 0.16 -1.50 0.00 0.00 0.00 175.76 174.20 2k3g s ILE 62 N -0.31 0.08 0.02 0.00 2.07 -0.68 -1.41 121.20 120.97 2k3g s ILE 62 Ca -0.05 -0.63 0.02 0.00 -1.41 0.00 0.00 60.65 58.59 2k3g s ILE 62 Cb -0.03 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 2k3g s ILE 62 CO 0.02 -0.34 -0.07 -0.51 -1.91 0.00 0.00 174.94 172.13 2k3g s ILE 63 N -1.28 0.51 -0.02 2.00 2.07 -0.32 -2.52 121.20 121.63 2k3g s ILE 63 Ca -0.14 -0.69 -0.12 0.00 -1.41 0.00 0.00 60.65 58.29 2k3g s ILE 63 Cb -0.07 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.03 2k3g s ILE 63 CO 0.02 -0.14 0.27 -1.61 -1.91 0.00 0.00 174.94 171.56 2k3g s GLU 64 N -0.91 0.58 -0.30 3.50 2.02 -1.21 -1.82 118.70 120.56 2k3g s GLU 64 Ca -0.04 -0.15 -0.11 0.00 0.02 0.00 0.00 54.97 54.69 2k3g s GLU 64 Cb -0.06 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 2k3g s GLU 64 CO 0.00 -0.15 0.19 -2.00 0.02 0.00 0.00 175.26 173.32 2k3g s GLU 65 N -1.12 3.63 0.76 1.61 -6.30 -1.19 -1.92 118.70 114.19 2k3g s GLU 65 Ca -0.12 -0.53 -0.06 0.00 -2.50 0.00 0.00 54.97 51.76 2k3g s GLU 65 Cb -0.05 -3.65 0.12 0.00 0.00 0.00 0.00 34.13 30.55 2k3g s GLU 65 CO 0.03 -0.32 1.07 0.16 0.02 0.00 0.00 175.26 176.22 2k3g s ASP 66 N 1.70 4.22 0.50 -1.70 1.47 -1.00 -4.85 116.67 117.02 2k3g s ASP 66 Ca 0.06 0.03 0.34 0.00 1.18 0.00 0.00 52.55 54.15 2k3g s ASP 66 Cb -0.17 -0.43 1.80 0.00 -0.34 0.00 0.00 42.92 43.79 2k3g s ASP 66 CO 0.09 -1.96 2.03 0.44 0.68 0.00 0.00 175.17 176.45 2k3g h ASP 67 N -0.78 0.00 0.40 2.11 3.32 -1.98 0.36 116.42 119.84 2k3g h ASP 67 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k3g h ASP 67 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2k3g h ASP 67 CO 0.46 0.00 -0.69 0.00 -1.72 0.00 0.00 179.24 177.29 2k3g n GLN 68 N -2.70 0.05 -0.47 3.56 6.02 -1.26 -4.97 117.38 117.62 2k3g n GLN 68 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k3g n GLN 68 Cb 0.07 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2k3g n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k3g n GLY 69 N 1.47 0.71 3.89 1.08 0.00 0.11 -5.08 105.19 107.38 2k3g n GLY 69 Ca 0.05 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.92 3.59 -0.16 1.61 2.02 -1.26 -4.88 118.70 118.70 2k3g s GLU 70 Ca 0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.76 2k3g s GLU 70 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2k3g s GLU 70 CO 0.00 0.62 0.36 0.95 0.02 0.00 0.00 175.26 177.22 2k3g s THR 71 N -1.35 5.25 -0.33 3.63 -4.23 -1.26 -2.37 115.64 114.99 2k3g s THR 71 Ca 0.29 0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 61.34 2k3g s THR 71 Cb -0.13 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 2k3g s THR 71 CO 0.18 0.33 0.32 0.42 -0.54 0.00 0.00 174.62 175.33 2k3g s THR 72 N 0.77 5.21 -0.21 3.99 -4.23 -0.81 -4.90 115.64 115.47 2k3g s THR 72 Ca 0.19 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 2k3g s THR 72 Cb -0.14 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 69.90 2k3g s THR 72 CO 0.06 -0.01 0.26 -0.76 -0.54 0.00 0.00 174.62 173.63 2k3g s LEU 73 N 1.93 4.16 -0.04 4.79 1.43 -1.26 -3.30 118.68 126.39 2k3g s LEU 73 Ca 0.10 0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2k3g s LEU 73 Cb -0.17 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2k3g s LEU 73 CO 0.11 0.04 0.19 0.00 0.23 0.00 0.00 176.35 176.92 2k3g s ALA 74 N 0.96 -0.47 0.15 4.21 0.00 -1.05 -4.43 121.76 121.14 2k3g s ALA 74 Ca 0.13 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 2k3g s ALA 74 Cb -0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2k3g s ALA 74 CO 0.05 -0.16 0.17 -1.54 0.00 0.00 0.00 175.76 174.28 2k3g s SER 75 N -0.61 0.17 0.00 0.00 1.04 -1.18 -1.69 113.70 111.44 2k3g s SER 75 Ca -0.07 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2k3g s SER 75 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2k3g s SER 75 CO 0.01 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2k3g n GLY 76 N -0.16 0.67 3.76 7.32 0.00 -0.92 -4.09 105.19 111.78 2k3g n GLY 76 Ca -0.06 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 0.05 4.04 1.16 0.00 1.75 -0.83 -4.95 119.30 120.52 2k3g s MET 78 Ca 0.15 -0.21 -0.15 0.00 -1.25 0.00 0.00 55.69 54.23 2k3g s MET 78 Cb -0.13 -3.58 0.27 0.00 2.84 0.00 0.00 34.83 34.23 2k3g s MET 78 CO 0.04 -0.04 1.04 -1.59 -0.65 0.00 0.00 175.02 173.82 2k3g s LYS 79 N 1.35 -0.87 0.55 4.11 -2.85 -1.26 -2.97 119.74 117.80 2k3g s LYS 79 Ca 0.09 0.50 -0.20 0.00 -1.00 0.00 0.00 55.97 55.35 2k3g s LYS 79 Cb -0.14 -1.59 -0.05 0.00 -2.06 0.00 0.00 37.83 33.99 2k3g s LYS 79 CO 0.07 -3.60 1.23 -0.47 0.10 0.00 0.00 175.35 172.68 2k3g s TYR 80 N -2.67 2.49 0.00 1.78 5.04 -1.26 -4.58 117.35 118.15 2k3g s TYR 80 Ca 0.68 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.80 2k3g s TYR 80 Cb -0.20 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 38.59 2k3g s TYR 80 CO 0.60 -2.17 0.00 0.39 -1.34 0.00 0.00 175.55 173.03 2k3g n GLU 81 N -1.19 0.00 0.00 4.97 1.02 -1.26 -5.04 120.64 119.14 2k3g n GLU 81 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2k3g n GLU 81 Cb 0.48 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 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 2.12 1.57 3.04 0.62 0.00 -1.26 -5.11 105.19 106.16 2k3g n GLY 82 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 -0.60 -0.02 1.61 1.04 -1.26 -5.05 113.70 107.42 2k3g s SER 83 Ca 0.00 0.54 -0.20 0.00 0.48 0.00 0.00 55.95 56.76 2k3g s SER 83 Cb 0.00 1.66 -0.31 0.00 0.10 0.00 0.00 66.02 67.47 2k3g s SER 83 CO 0.00 -0.28 0.95 0.44 0.98 0.00 0.00 173.24 175.33 2k3g h ASP 84 N 8.09 0.56 1.14 7.02 3.32 -2.02 -3.33 116.42 131.21 2k3g h ASP 84 Ca -0.21 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 55.93 2k3g h ASP 84 Cb 1.16 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2k3g h ASP 84 CO 0.26 1.43 0.00 2.22 -1.72 0.00 0.00 179.24 181.43 2k3g n PHE 85 N -4.06 0.42 -2.34 4.55 1.16 -1.26 -4.66 117.46 111.27 2k3g n PHE 85 Ca -0.14 0.13 -0.35 0.00 -1.87 0.00 0.00 57.45 55.21 2k3g n PHE 85 Cb 0.85 -0.71 -0.03 0.00 -1.61 0.00 0.00 39.48 37.99 2k3g n PHE 85 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2k3g s GLN 86 N -3.06 3.21 0.00 3.97 -0.21 -1.25 -4.36 119.66 117.95 2k3g s GLN 86 Ca 0.12 -1.17 0.09 0.00 0.02 0.00 0.00 55.36 54.41 2k3g s GLN 86 Cb 0.15 -5.31 0.15 0.00 1.00 0.00 0.00 33.01 28.99 2k3g s GLN 86 CO 0.53 -2.90 0.99 0.00 -2.12 0.00 0.00 175.29 171.80 2k3g n LYS 88 N 0.17 0.40 -3.67 0.00 5.02 -1.26 -5.01 118.16 113.81 2k3g n LYS 88 Ca -0.10 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.82 2k3g n LYS 88 Cb 0.83 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.72 2k3g n LYS 88 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2k3g s ASP 89 N -1.00 5.66 0.82 4.39 -4.77 -1.26 -5.10 116.67 115.41 2k3g s ASP 89 Ca 0.00 -0.08 -0.11 0.00 -3.30 0.00 0.00 52.55 49.06 2k3g s ASP 89 Cb 0.00 -2.04 0.10 0.00 -1.09 0.00 0.00 42.92 39.90 2k3g s ASP 89 CO 0.00 -0.03 1.17 -0.44 0.70 0.00 0.00 175.17 176.57 2k3g s SER 90 N 1.63 4.26 -0.58 2.11 0.01 -1.26 -4.94 113.70 114.92 2k3g s SER 90 Ca 0.07 0.55 -0.06 0.00 1.31 0.00 0.00 55.95 57.82 2k3g s SER 90 Cb -0.15 -0.97 -0.08 0.00 0.21 0.00 0.00 66.02 65.02 2k3g s SER 90 CO 0.07 -2.02 3.08 -0.81 0.41 0.00 0.00 173.24 173.97 2k3g n PRO 91 N -3.31 2.75 -2.70 12.44 -0.04 -1.26 -4.15 135.00 138.73 2k3g n PRO 91 Ca 0.10 -1.97 -0.04 0.00 -0.04 0.00 0.00 63.50 61.55 2k3g n PRO 91 Cb 0.61 -2.26 0.11 0.00 -0.04 0.00 0.00 33.50 31.92 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 2.02 1.34 -0.12 0.54 2.85 -1.26 -5.16 118.16 118.36 2k3g n LYS 92 Ca 0.53 -1.88 -0.03 0.00 -1.05 0.00 0.00 58.31 55.88 2k3g n LYS 92 Cb 0.60 -0.13 0.03 0.00 -0.65 0.00 0.00 35.03 34.88 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 -0.99 -0.33 -3.00 0.58 0.00 -1.26 -5.08 120.51 110.44 2k3g n ALA 93 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2k3g n ALA 93 Cb 0.85 -0.01 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 -1.77 0.00 -0.85 0.00 7.27 -1.26 -5.15 117.38 115.62 2k3g n GLN 94 Ca 0.02 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.79 2k3g n GLN 94 Cb 0.06 0.00 0.18 0.00 2.41 0.00 0.00 30.24 32.89 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 2.04 0.06 1.69 2.96 -1.26 -4.83 118.68 119.34 2k3g s LEU 95 Ca 0.00 1.73 -0.31 0.00 -0.22 0.00 0.00 54.13 55.34 2k3g s LEU 95 Cb 0.00 -4.00 -0.07 0.00 0.50 0.00 0.00 46.19 42.62 2k3g s LEU 95 CO 0.00 -3.24 1.48 -0.13 -1.32 0.00 0.00 176.35 173.14 2k3g s ARG 96 N -4.70 4.26 0.19 1.98 0.52 -1.26 -4.93 118.95 115.01 2k3g s ARG 96 Ca 0.66 2.12 -0.23 0.00 -0.52 0.00 0.00 55.73 57.76 2k3g s ARG 96 Cb -0.22 -3.46 0.05 0.00 0.52 0.00 0.00 34.95 31.84 2k3g s ARG 96 CO 0.60 -0.58 0.72 -0.98 0.02 0.00 0.00 175.30 175.07 2k3g s ARG 97 N 2.02 1.44 0.07 3.54 1.70 -1.26 -3.14 118.95 123.33 2k3g s ARG 97 Ca 0.67 -0.69 0.06 0.00 -0.47 0.00 0.00 55.73 55.30 2k3g s ARG 97 Cb -0.36 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2k3g s ARG 97 CO 0.29 -0.65 -0.17 0.99 -1.08 0.00 0.00 175.30 174.69 2k3g s THR 98 N -3.70 1.33 0.04 4.99 2.01 -0.75 -4.97 115.64 114.57 2k3g s THR 98 Ca 0.07 -1.33 -0.05 0.00 0.31 0.00 0.00 61.69 60.69 2k3g s THR 98 Cb -0.03 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2k3g s THR 98 CO -0.02 -0.12 0.07 -0.51 -0.69 0.00 0.00 174.62 173.35 2k3g s ILE 99 N -1.16 0.15 0.01 1.82 2.07 -1.26 -1.17 121.20 121.66 2k3g s ILE 99 Ca 0.02 -1.21 -0.05 0.00 -1.41 0.00 0.00 60.65 58.00 2k3g s ILE 99 Cb -0.10 -0.99 -0.01 0.00 0.13 0.00 0.00 42.46 41.50 2k3g s ILE 99 CO 0.03 -0.67 0.08 -1.61 -1.91 0.00 0.00 174.94 170.86 2k3g s GLU 100 N -2.85 0.42 -0.05 3.50 2.02 -0.50 -5.01 118.70 116.24 2k3g s GLU 100 Ca -0.03 -0.46 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 2k3g s GLU 100 Cb 0.00 0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.42 2k3g s GLU 100 CO -0.06 -0.09 0.11 0.00 0.02 0.00 0.00 175.26 175.25 2k3g n ARG 103 N 4.04 2.96 -4.09 0.00 0.63 -1.26 -1.63 116.66 117.31 2k3g n ARG 103 Ca -0.20 -3.67 -0.14 0.00 -0.92 0.00 0.00 57.85 52.92 2k3g n ARG 103 Cb 0.57 -2.28 -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 -4.98 0.64 0.21 5.15 -4.23 -1.26 -5.02 115.64 106.15 2k3g s THR 104 Ca 0.56 -1.19 -0.31 0.00 -1.18 0.00 0.00 61.69 59.57 2k3g s THR 104 Cb 0.46 -0.77 -0.11 0.00 1.34 0.00 0.00 72.50 73.42 2k3g s THR 104 CO -0.17 -0.40 1.59 0.54 -0.54 0.00 0.00 174.62 175.64 2k3g s ASN 105 N -1.73 6.51 -1.11 3.99 4.22 -1.26 -1.76 114.94 123.79 2k3g s ASN 105 Ca -0.07 2.75 0.00 0.00 -2.14 0.00 0.00 52.86 53.40 2k3g s ASN 105 Cb -0.09 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.84 2k3g s ASN 105 CO 0.00 -0.86 0.00 0.18 -2.04 0.00 0.00 177.10 174.39 2k3g n LEU 106 N 3.36 -1.11 0.29 3.54 4.77 -0.68 -4.82 117.00 122.35 2k3g n LEU 106 Ca 0.12 0.22 0.16 0.00 -0.03 0.00 0.00 56.01 56.47 2k3g n LEU 106 Cb 0.38 -2.11 0.89 0.00 -2.33 0.00 0.00 43.42 40.25 2k3g n LEU 106 CO 0.62 -0.23 1.07 0.00 -1.33 0.00 0.00 177.39 177.53 2k3g h ASN 108 N 0.00 0.00 -0.83 0.00 4.21 -1.88 -3.32 115.58 113.77 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 0.16 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.32 2k3g h ASN 108 CO 0.01 0.77 0.40 -0.61 -1.29 0.00 0.00 177.43 176.70 2k3g h GLN 109 N 0.00 1.19 -0.64 0.81 4.15 -1.74 -1.60 115.11 117.28 2k3g h GLN 109 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2k3g h GLN 109 Cb 1.35 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2k3g h GLN 109 CO 0.10 0.91 0.00 0.66 -1.93 0.00 0.00 178.83 178.57 2k3g n TYR 110 N -4.31 1.66 -3.95 3.99 4.01 -1.26 -4.89 117.16 112.42 2k3g n TYR 110 Ca 0.08 -0.64 -0.34 0.00 -0.16 0.00 0.00 57.90 56.84 2k3g n TYR 110 Cb 0.14 -0.32 -0.14 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 -2.09 3.89 -0.27 7.72 2.96 -0.60 -5.08 118.68 125.20 2k3g s LEU 111 Ca 0.53 -1.39 -0.11 0.00 -0.22 0.00 0.00 54.13 52.93 2k3g s LEU 111 Cb 0.36 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 2k3g s LEU 111 CO 0.23 -0.26 0.21 -1.58 -1.32 0.00 0.00 176.35 173.63 2k3g s GLN 112 N 1.19 3.98 0.27 1.98 0.74 -1.26 -4.92 119.66 121.63 2k3g s GLN 112 Ca -0.05 -0.27 -0.29 0.00 0.05 0.00 0.00 55.36 54.80 2k3g s GLN 112 Cb -0.20 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.17 2k3g s GLN 112 CO -0.03 -0.16 1.29 -2.14 -0.55 0.00 0.00 175.29 173.71 2k3g s PRO 113 N 1.70 4.40 0.02 1.67 0.02 -1.26 -5.04 135.00 136.50 2k3g s PRO 113 Ca 0.08 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.21 2k3g s PRO 113 Cb -0.16 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 2k3g s PRO 113 CO 0.10 -0.18 -0.03 0.95 -0.33 0.00 0.00 177.00 177.51 2k3g s THR 114 N -0.56 0.15 0.52 0.99 -4.23 -1.26 -4.96 115.64 106.29 2k3g s THR 114 Ca 0.52 -0.65 -0.20 0.00 -1.18 0.00 0.00 61.69 60.18 2k3g s THR 114 Cb -0.38 -0.24 -0.07 0.00 1.34 0.00 0.00 72.50 73.15 2k3g s THR 114 CO 0.45 -0.32 1.11 -0.76 -0.54 0.00 0.00 174.62 174.56 2k3g s LEU 115 N -1.01 3.81 0.48 4.79 1.43 -1.26 -4.82 118.68 122.10 2k3g s LEU 115 Ca -0.10 2.12 -0.23 0.00 -1.03 0.00 0.00 54.13 54.89 2k3g s LEU 115 Cb -0.07 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.55 2k3g s LEU 115 CO -0.01 -1.06 1.20 -2.16 0.23 0.00 0.00 176.35 174.56 2k3g s PRO 116 N -3.20 3.63 0.44 1.29 0.04 -1.26 -4.98 135.00 130.97 2k3g s PRO 116 Ca 0.70 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 2k3g s PRO 116 Cb -0.22 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.88 2k3g s PRO 116 CO 0.26 -0.68 1.19 -1.25 0.04 0.00 0.00 177.00 176.56 2k3g s PRO 117 N -2.76 3.83 0.73 0.56 0.04 -1.26 -5.03 135.00 131.12 2k3g s PRO 117 Ca 0.65 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.43 2k3g s PRO 117 Cb -0.31 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.75 2k3g s PRO 117 CO 0.37 -0.51 1.11 0.08 0.04 0.00 0.00 177.00 178.09 2k3g s VAL 118 N -1.47 3.25 -0.17 -0.36 1.01 -1.26 -5.09 120.40 116.31 2k3g s VAL 118 Ca 0.61 0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 2k3g s VAL 118 Cb -0.31 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2k3g s VAL 118 CO 0.38 -0.53 0.43 0.54 0.00 0.00 0.00 175.10 175.92 2k3g s VAL 119 N -3.38 -0.01 -0.46 2.92 0.11 -1.26 -5.09 120.40 113.23 2k3g s VAL 119 Ca 0.59 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.73 2k3g s VAL 119 Cb -0.11 -0.61 0.26 0.00 -1.53 0.00 0.00 36.38 34.38 2k3g s VAL 119 CO 0.52 0.01 0.83 0.00 -3.33 0.00 0.00 175.10 173.13 2k3g n ILE 120 N 3.23 -0.16 -3.40 7.04 0.13 -1.26 -5.13 119.36 119.80 2k3g n ILE 120 Ca -0.16 -2.18 0.00 0.00 -1.10 0.00 0.00 62.75 59.31 2k3g n ILE 120 Cb 0.57 0.67 0.00 0.00 -0.84 0.00 0.00 39.64 40.04 2k3g n ILE 120 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2k3g n GLY 121 N 1.38 -2.12 3.72 4.50 0.00 -1.26 -4.88 105.19 106.53 2k3g n GLY 121 Ca 0.12 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.10 1.80 -3.07 1.61 -0.02 -1.26 -4.98 135.00 128.98 2k3g n PRO 122 Ca 0.00 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 2k3g n PRO 122 Cb 0.00 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 30.94 2k3g n PRO 122 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2k3g s PHE 123 N -1.26 3.58 -0.38 6.00 0.08 -1.26 -5.00 117.98 119.73 2k3g s PHE 123 Ca 0.67 1.40 0.11 0.00 0.12 0.00 0.00 56.93 59.22 2k3g s PHE 123 Cb -0.45 -2.64 0.41 0.00 -0.57 0.00 0.00 43.02 39.76 2k3g s PHE 123 CO 0.53 0.25 1.27 1.97 -0.10 0.00 0.00 175.22 179.15 2k3g n PHE 124 N 0.40 -1.70 -2.34 0.36 -1.74 -1.26 -4.94 117.46 106.24 2k3g n PHE 124 Ca -0.00 -2.10 -0.03 0.00 -0.56 0.00 0.00 57.45 54.75 2k3g n PHE 124 Cb 0.52 1.19 0.01 0.00 1.52 0.00 0.00 39.48 42.71 2k3g n PHE 124 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 2k3g n ASP 125 N -0.50 -0.61 0.00 5.98 2.03 -1.26 -5.14 116.55 117.05 2k3g n ASP 125 Ca -0.01 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.24 2k3g n ASP 125 Cb 0.84 0.25 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 2k3g n ASP 125 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k3g n GLY 126 N -0.41 -1.31 3.77 0.27 0.00 -1.26 -4.91 105.19 101.33 2k3g n GLY 126 Ca -0.17 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2k3g n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3g s SER 127 N -4.03 7.47 -0.00 1.61 0.15 -1.26 -5.05 113.70 112.58 2k3g s SER 127 Ca 0.00 1.78 -0.18 0.00 0.70 0.00 0.00 55.95 58.24 2k3g s SER 127 Cb 0.00 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.71 2k3g s SER 127 CO 0.00 0.15 0.52 -0.63 1.20 0.00 0.00 173.24 174.47 2k3g s ILE 128 N -1.24 4.94 -2.48 6.45 -1.09 -1.26 -5.24 121.20 121.28 2k3g s ILE 128 Ca 0.40 1.08 0.28 0.00 -2.23 0.00 0.00 60.65 60.18 2k3g s ILE 128 Cb -0.23 -3.85 0.56 0.00 -1.58 0.00 0.00 42.46 37.36 2k3g s ILE 128 CO 0.28 0.48 1.76 -1.14 -1.23 0.00 0.00 174.94 175.09