#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s LYS 2 N 0.00 0.33 0.00 3.49 0.00 -1.26 -4.51 119.74 117.79 2k8m s LYS 2 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 55.97 56.52 2k8m s LYS 2 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.88 2k8m s LYS 2 CO 0.00 -0.10 0.06 -0.11 0.00 0.00 0.00 175.35 175.20 2k8m n LEU 3 N 3.58 0.01 0.00 2.77 7.94 -0.48 -3.92 117.00 126.90 2k8m n LEU 3 Ca -0.19 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 2k8m n LEU 3 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2k8m n LEU 3 CO 0.14 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 2k8m n GLY 4 N -0.00 0.21 3.00 -3.96 0.00 -1.25 -3.92 105.19 99.28 2k8m n GLY 4 Ca 0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 2k8m n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8m s LYS 5 N 0.00 0.60 -0.23 1.61 1.02 -1.09 -0.78 119.74 120.86 2k8m s LYS 5 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2k8m s LYS 5 Cb 0.00 -0.57 0.03 0.00 -0.52 0.00 0.00 37.83 36.77 2k8m s LYS 5 CO 0.00 0.16 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.30 2k8m s LEU 6 N -0.23 2.89 -0.23 3.17 2.96 0.60 -2.16 118.68 125.69 2k8m s LEU 6 Ca 0.02 -0.90 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 2k8m s LEU 6 Cb -0.03 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2k8m s LEU 6 CO -0.00 -0.10 0.64 -1.10 -1.32 0.00 0.00 176.35 174.48 2k8m s GLN 7 N 1.27 4.16 0.12 1.98 -1.52 -0.34 -1.76 119.66 123.56 2k8m s GLN 7 Ca -0.00 0.61 -0.08 0.00 -1.95 0.00 0.00 55.36 53.94 2k8m s GLN 7 Cb -0.16 -3.62 -0.01 0.00 -0.22 0.00 0.00 33.01 29.01 2k8m s GLN 7 CO -0.07 -0.34 0.21 1.52 -0.25 0.00 0.00 175.29 176.35 2k8m s TYR 8 N 2.25 0.29 -0.08 0.91 1.13 -0.70 0.19 117.35 121.35 2k8m s TYR 8 Ca 0.28 -0.70 -0.01 0.00 -1.41 0.00 0.00 57.07 55.22 2k8m s TYR 8 Cb -0.16 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.64 2k8m s TYR 8 CO 0.09 -0.60 0.00 -1.54 -2.51 0.00 0.00 175.55 171.00 2k8m s SER 9 N -2.91 1.72 -0.15 -0.18 1.04 -0.15 -1.77 113.70 111.30 2k8m s SER 9 Ca 0.10 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 2k8m s SER 9 Cb 0.05 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2k8m s SER 9 CO -0.06 -0.20 0.04 -0.76 0.98 0.00 0.00 173.24 173.23 2k8m s LEU 10 N 1.96 3.72 0.09 2.42 1.43 -0.21 -2.94 118.68 125.15 2k8m s LEU 10 Ca 0.04 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2k8m s LEU 10 Cb -0.13 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2k8m s LEU 10 CO -0.06 0.24 -0.12 1.51 0.23 0.00 0.00 176.35 178.16 2k8m s ASP 11 N -0.05 1.63 -0.00 2.29 -4.77 -0.97 0.12 116.67 114.91 2k8m s ASP 11 Ca 0.05 -0.74 0.01 0.00 -3.30 0.00 0.00 52.55 48.57 2k8m s ASP 11 Cb -0.12 -0.03 -0.04 0.00 -1.09 0.00 0.00 42.92 41.64 2k8m s ASP 11 CO 0.01 -0.18 0.02 -0.72 0.70 0.00 0.00 175.17 175.00 2k8m s TYR 12 N -1.98 3.11 -0.13 2.11 1.13 -1.26 0.13 117.35 120.46 2k8m s TYR 12 Ca 0.03 0.10 0.02 0.00 -1.41 0.00 0.00 57.07 55.82 2k8m s TYR 12 Cb -0.06 -1.68 0.00 0.00 -1.10 0.00 0.00 41.96 39.12 2k8m s TYR 12 CO 0.01 0.48 -0.20 0.34 -2.51 0.00 0.00 175.55 173.67 2k8m s ASP 13 N -1.59 3.29 0.00 -0.18 -1.08 -0.54 -4.93 116.67 111.64 2k8m s ASP 13 Ca 0.20 -0.55 0.22 0.00 -0.52 0.00 0.00 52.55 51.91 2k8m s ASP 13 Cb -0.12 -1.47 0.34 0.00 -1.46 0.00 0.00 42.92 40.21 2k8m s ASP 13 CO 0.11 0.11 1.33 2.22 0.52 0.00 0.00 175.17 179.45 2k8m n PHE 14 N 3.91 0.35 -0.06 -5.34 1.16 -1.26 -2.55 117.46 113.66 2k8m n PHE 14 Ca -0.19 -0.18 -0.16 0.00 -1.87 0.00 0.00 57.45 55.04 2k8m n PHE 14 Cb 0.52 -0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.25 2k8m n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k8m n GLN 15 N 1.38 0.69 0.00 3.97 10.64 -1.26 -4.38 117.38 128.43 2k8m n GLN 15 Ca 0.17 0.18 0.07 0.00 -1.83 0.00 0.00 57.00 55.59 2k8m n GLN 15 Cb 0.58 -1.62 -0.01 0.00 -0.86 0.00 0.00 30.24 28.33 2k8m n GLN 15 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2k8m n ASN 16 N -3.22 1.39 -3.00 2.61 0.23 -1.26 -5.03 115.26 106.98 2k8m n ASN 16 Ca -0.35 -1.19 -0.00 0.00 -0.53 0.00 0.00 54.58 52.50 2k8m n ASN 16 Cb 1.05 0.55 0.00 0.00 -2.08 0.00 0.00 39.78 39.29 2k8m n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k8m n ASN 17 N -0.33 -7.56 -3.71 0.53 2.85 -1.18 -4.93 115.26 100.94 2k8m n ASN 17 Ca 0.05 -0.08 -0.08 0.00 -0.11 0.00 0.00 54.58 54.37 2k8m n ASN 17 Cb 0.29 -5.14 -0.02 0.00 1.24 0.00 0.00 39.78 36.15 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8m s GLN 18 N -3.02 1.54 -0.19 1.20 1.03 -1.06 -3.55 119.66 115.61 2k8m s GLN 18 Ca 0.01 -0.78 -0.05 0.00 0.04 0.00 0.00 55.36 54.57 2k8m s GLN 18 Cb -0.00 0.57 -0.03 0.00 0.03 0.00 0.00 33.01 33.58 2k8m s GLN 18 CO 0.72 -0.70 0.01 -0.51 -2.54 0.00 0.00 175.29 172.27 2k8m s LEU 19 N -2.86 3.40 -0.56 2.60 1.43 -1.01 -1.46 118.68 120.22 2k8m s LEU 19 Ca 0.08 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 2k8m s LEU 19 Cb -0.04 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.36 2k8m s LEU 19 CO 0.00 0.11 1.04 -0.22 0.23 0.00 0.00 176.35 177.51 2k8m s LEU 20 N 0.74 3.83 -0.57 1.79 1.98 0.12 -1.94 118.68 124.63 2k8m s LEU 20 Ca 0.01 -0.15 -0.19 0.00 -2.89 0.00 0.00 54.13 50.91 2k8m s LEU 20 Cb -0.14 -2.98 0.09 0.00 0.66 0.00 0.00 46.19 43.82 2k8m s LEU 20 CO 0.02 -1.32 0.69 -0.69 -1.89 0.00 0.00 176.35 173.16 2k8m s VAL 21 N 4.35 4.82 -0.28 1.68 1.01 -0.90 -2.30 120.40 128.78 2k8m s VAL 21 Ca 0.36 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2k8m s VAL 21 Cb -0.10 -4.44 0.06 0.00 0.00 0.00 0.00 36.38 31.89 2k8m s VAL 21 CO 0.22 -1.05 -0.06 -0.83 0.00 0.00 0.00 175.10 173.38 2k8m s GLY 22 N 3.39 1.71 0.05 4.51 0.00 -1.15 -1.82 107.32 114.00 2k8m s GLY 22 Ca 0.13 -1.80 -0.14 0.00 0.00 0.00 0.00 44.72 42.90 2k8m s GLY 22 CO 0.08 0.66 0.44 -0.26 0.00 0.00 0.00 173.10 174.02 2k8m s ILE 23 N 1.15 4.99 -0.08 0.90 -0.00 -1.25 -0.98 121.20 125.93 2k8m s ILE 23 Ca -0.07 0.79 -0.05 0.00 -0.00 0.00 0.00 60.65 61.33 2k8m s ILE 23 Cb -0.20 -3.72 -0.02 0.00 -0.00 0.00 0.00 42.46 38.53 2k8m s ILE 23 CO -0.04 0.46 -0.09 0.40 -0.00 0.00 0.00 174.94 175.68 2k8m h ILE 24 N 3.36 0.00 -3.08 8.37 2.04 -0.61 -3.31 117.51 124.28 2k8m h ILE 24 Ca -0.50 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2k8m h ILE 24 Cb 1.21 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 2k8m h ILE 24 CO 0.63 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.95 2k8m s GLN 25 N -1.67 1.42 -0.03 2.37 1.03 -1.13 -3.84 119.66 117.81 2k8m s GLN 25 Ca -0.07 -0.69 0.02 0.00 0.04 0.00 0.00 55.36 54.65 2k8m s GLN 25 Cb 0.01 0.58 0.01 0.00 0.03 0.00 0.00 33.01 33.64 2k8m s GLN 25 CO 0.11 -0.62 -0.06 0.00 -2.54 0.00 0.00 175.29 172.17 2k8m s ALA 26 N -3.82 0.72 0.33 2.60 0.00 -1.24 -1.20 121.76 119.15 2k8m s ALA 26 Ca 0.05 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2k8m s ALA 26 Cb -0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.67 2k8m s ALA 26 CO -0.06 0.05 0.02 0.00 0.00 0.00 0.00 175.76 175.77 2k8m s ALA 27 N 0.58 2.51 -1.25 0.00 0.00 -0.92 -3.72 121.76 118.97 2k8m s ALA 27 Ca -0.08 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.81 2k8m s ALA 27 Cb -0.12 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2k8m s ALA 27 CO 0.00 -0.21 0.00 0.39 0.00 0.00 0.00 175.76 175.95 2k8m n GLU 28 N -0.71 -0.98 -2.31 0.00 -0.58 -1.25 -2.69 120.64 112.12 2k8m n GLU 28 Ca -0.04 0.79 -0.42 0.00 -0.42 0.00 0.00 57.16 57.08 2k8m n GLU 28 Cb 0.66 -4.93 -0.03 0.00 -0.57 0.00 0.00 31.44 26.56 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k8m s LEU 29 N -3.37 4.40 0.85 -4.62 1.43 -1.25 -4.05 118.68 112.07 2k8m s LEU 29 Ca 0.00 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 2k8m s LEU 29 Cb 0.00 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.73 2k8m s LEU 29 CO 0.00 -0.50 1.13 -2.84 0.23 0.00 0.00 176.35 174.37 2k8m s PRO 30 N 0.45 1.57 0.06 1.29 0.02 -1.26 -4.91 135.00 132.22 2k8m s PRO 30 Ca 0.58 1.43 -0.05 0.00 0.02 0.00 0.00 61.00 62.98 2k8m s PRO 30 Cb -0.34 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 2k8m s PRO 30 CO 0.33 -2.20 0.29 0.00 -0.33 0.00 0.00 177.00 175.09 2k8m s ALA 31 N -2.69 3.86 0.06 -1.55 0.00 -1.26 -4.73 121.76 115.46 2k8m s ALA 31 Ca 0.65 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2k8m s ALA 31 Cb -0.21 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.87 2k8m s ALA 31 CO 0.56 0.69 0.00 -0.11 0.00 0.00 0.00 175.76 176.90 2k8m n LEU 32 N 0.64 0.18 -4.66 0.00 -0.00 -0.10 -4.92 117.00 108.14 2k8m n LEU 32 Ca -0.07 0.10 -0.42 0.00 -0.00 0.00 0.00 56.01 55.62 2k8m n LEU 32 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.92 2k8m n LEU 32 CO 0.46 -0.41 1.42 -0.62 -0.00 0.00 0.00 177.39 178.24 2k8m s ASP 33 N -5.18 6.62 -0.18 1.96 2.15 0.54 -4.87 116.67 117.71 2k8m s ASP 33 Ca 0.00 2.34 -0.42 0.00 0.43 0.00 0.00 52.55 54.90 2k8m s ASP 33 Cb 0.00 -2.53 -0.19 0.00 -0.30 0.00 0.00 42.92 39.89 2k8m s ASP 33 CO 0.00 -0.95 1.32 0.80 -0.17 0.00 0.00 175.17 176.17 2k8m n MET 34 N 7.22 0.19 0.00 4.34 0.00 -1.26 -2.52 117.12 125.08 2k8m n MET 34 Ca 0.18 0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.95 2k8m n MET 34 Cb 0.42 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 32.05 2k8m n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k8m n GLY 35 N 2.62 1.54 1.90 -5.12 0.00 -1.26 -4.71 105.19 100.15 2k8m n GLY 35 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 2k8m n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8m n GLY 36 N -0.16 0.55 3.46 -0.02 0.00 -1.22 -5.05 105.19 102.75 2k8m n GLY 36 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 2k8m n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8m s THR 37 N -3.07 0.00 0.22 2.61 -4.23 -1.05 -4.95 115.64 105.17 2k8m s THR 37 Ca 0.11 -1.62 -0.21 0.00 -1.18 0.00 0.00 61.69 58.80 2k8m s THR 37 Cb -0.05 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.40 2k8m s THR 37 CO 0.17 0.00 0.63 -0.94 -0.54 0.00 0.00 174.62 173.93 2k8m s SER 38 N -3.14 -0.36 -0.66 3.99 1.04 -1.26 -0.34 113.70 112.98 2k8m s SER 38 Ca 0.29 -0.38 0.06 0.00 0.48 0.00 0.00 55.95 56.40 2k8m s SER 38 Cb 0.01 0.65 0.23 0.00 0.10 0.00 0.00 66.02 67.01 2k8m s SER 38 CO 0.14 -1.15 0.70 0.47 0.98 0.00 0.00 173.24 174.39 2k8m n ASP 39 N -0.40 3.64 -4.63 7.02 9.92 -1.26 -1.02 116.55 129.82 2k8m n ASP 39 Ca -0.10 -3.39 -0.43 0.00 -0.53 0.00 0.00 54.79 50.34 2k8m n ASP 39 Cb 0.62 -0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 40.37 2k8m n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k8m s PRO 40 N -2.25 3.99 -0.12 -0.24 0.05 -1.22 -0.87 135.00 134.34 2k8m s PRO 40 Ca 0.36 0.86 0.01 0.00 0.05 0.00 0.00 61.00 62.28 2k8m s PRO 40 Cb 0.10 -3.75 0.02 0.00 0.05 0.00 0.00 34.50 30.92 2k8m s PRO 40 CO -0.05 -0.87 -0.14 1.52 0.05 0.00 0.00 177.00 177.52 2k8m s TYR 41 N 3.47 1.98 0.15 0.56 1.13 0.12 -4.10 117.35 120.66 2k8m s TYR 41 Ca 0.41 -1.01 -0.30 0.00 -1.41 0.00 0.00 57.07 54.76 2k8m s TYR 41 Cb -0.12 -1.46 -0.07 0.00 -1.10 0.00 0.00 41.96 39.21 2k8m s TYR 41 CO 0.16 -0.55 0.97 0.14 -2.51 0.00 0.00 175.55 173.75 2k8m s VAL 42 N 1.25 4.35 -0.08 -3.49 -7.23 -1.26 -0.97 120.40 112.97 2k8m s VAL 42 Ca -0.01 2.05 0.01 0.00 -1.81 0.00 0.00 61.98 62.21 2k8m s VAL 42 Cb -0.14 -4.31 0.02 0.00 0.56 0.00 0.00 36.38 32.52 2k8m s VAL 42 CO -0.06 0.36 -0.09 -1.59 -0.31 0.00 0.00 175.10 173.41 2k8m s LYS 43 N -0.31 1.46 -0.01 4.82 -2.85 0.03 -1.67 119.74 121.20 2k8m s LYS 43 Ca 0.46 -0.29 -0.25 0.00 -1.00 0.00 0.00 55.97 54.89 2k8m s LYS 43 Cb -0.24 -1.37 -0.04 0.00 -2.06 0.00 0.00 37.83 34.11 2k8m s LYS 43 CO 0.31 -0.11 0.76 0.14 0.10 0.00 0.00 175.35 176.54 2k8m s VAL 44 N 1.15 4.90 0.30 1.79 -7.23 -0.97 -2.37 120.40 117.96 2k8m s VAL 44 Ca -0.06 1.59 0.06 0.00 -1.81 0.00 0.00 61.98 61.77 2k8m s VAL 44 Cb -0.14 -4.10 -0.06 0.00 0.56 0.00 0.00 36.38 32.64 2k8m s VAL 44 CO -0.02 0.29 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.66 2k8m s PHE 45 N 0.46 2.04 0.27 2.82 0.08 -0.59 -3.91 117.98 119.14 2k8m s PHE 45 Ca 0.40 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.75 2k8m s PHE 45 Cb -0.19 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 2k8m s PHE 45 CO 0.21 0.28 0.14 -0.51 -0.10 0.00 0.00 175.22 175.25 2k8m s LEU 46 N -3.48 1.55 0.00 -0.37 2.01 -1.26 -2.38 118.68 114.74 2k8m s LEU 46 Ca 0.31 -1.49 0.00 0.00 0.01 0.00 0.00 54.13 52.97 2k8m s LEU 46 Cb 0.05 0.22 0.00 0.00 0.01 0.00 0.00 46.19 46.47 2k8m s LEU 46 CO 0.13 -0.85 0.00 0.00 1.01 0.00 0.00 176.35 176.65 2k8m n LEU 47 N -0.48 0.00 0.17 1.79 -0.00 -1.26 -4.64 117.00 112.58 2k8m n LEU 47 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.06 2k8m n LEU 47 Cb 0.65 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 44.26 2k8m n LEU 47 CO 0.35 -0.15 0.79 -0.65 -0.00 0.00 0.00 177.39 177.73 2k8m h PRO 48 N 0.00 0.00 0.25 1.47 0.11 -1.99 -1.96 132.00 129.89 2k8m h PRO 48 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2k8m h PRO 48 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2k8m h PRO 48 CO 0.00 0.00 -0.47 0.22 -0.21 0.00 0.00 178.00 177.54 2k8m h ASP 49 N 0.00 -1.34 -6.20 -2.05 3.58 -1.96 -3.45 116.42 105.00 2k8m h ASP 49 Ca 0.00 0.13 -0.44 0.00 0.42 0.00 0.00 57.03 57.14 2k8m h ASP 49 Cb 1.07 0.48 -0.19 0.00 1.72 0.00 0.00 39.33 42.42 2k8m h ASP 49 CO 0.00 -0.56 -0.65 0.29 -2.88 0.00 0.00 179.24 175.44 2k8m n LYS 50 N -5.50 -2.57 -1.17 0.28 4.76 -0.74 -4.83 118.16 108.39 2k8m n LYS 50 Ca -0.09 0.30 -0.21 0.00 -2.87 0.00 0.00 58.31 55.44 2k8m n LYS 50 Cb 0.41 -4.95 0.16 0.00 -1.84 0.00 0.00 35.03 28.81 2k8m n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k8m n LYS 51 N -3.83 2.26 -3.64 1.97 5.02 -1.26 -4.91 118.16 113.77 2k8m n LYS 51 Ca 0.05 -3.15 -0.05 0.00 -2.02 0.00 0.00 58.31 53.13 2k8m n LYS 51 Cb 0.50 -2.11 -0.07 0.00 -0.02 0.00 0.00 35.03 33.33 2k8m n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k8m s LYS 52 N -3.38 0.32 -0.29 1.97 -2.85 -1.26 -4.64 119.74 109.60 2k8m s LYS 52 Ca 0.55 0.41 0.01 0.00 -1.00 0.00 0.00 55.97 55.94 2k8m s LYS 52 Cb 0.46 0.14 0.19 0.00 -2.06 0.00 0.00 37.83 36.57 2k8m s LYS 52 CO 0.06 -0.04 0.69 0.21 0.10 0.00 0.00 175.35 176.37 2k8m s LYS 53 N 0.38 0.47 -0.05 1.78 2.20 -1.26 -4.59 119.74 118.67 2k8m s LYS 53 Ca 0.02 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.20 2k8m s LYS 53 Cb -0.05 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 2k8m s LYS 53 CO -0.11 -0.81 -0.11 0.12 -0.36 0.00 0.00 175.35 174.08 2k8m s PHE 54 N 2.86 1.31 -0.12 4.03 5.36 -1.25 -5.03 117.98 125.14 2k8m s PHE 54 Ca 0.14 -0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 55.66 2k8m s PHE 54 Cb -0.09 -0.96 -0.03 0.00 -0.34 0.00 0.00 43.02 41.60 2k8m s PHE 54 CO -0.24 -0.22 -0.05 -1.21 -1.46 0.00 0.00 175.22 172.04 2k8m s GLU 55 N 0.53 3.30 0.94 10.12 2.02 -1.26 -2.29 118.70 132.07 2k8m s GLU 55 Ca -0.11 -0.53 -0.14 0.00 0.02 0.00 0.00 54.97 54.21 2k8m s GLU 55 Cb -0.14 -2.78 0.16 0.00 0.10 0.00 0.00 34.13 31.47 2k8m s GLU 55 CO 0.03 0.41 1.20 0.95 0.02 0.00 0.00 175.26 177.87 2k8m s THR 56 N -0.12 1.95 0.27 3.63 -4.23 -0.67 -4.99 115.64 111.48 2k8m s THR 56 Ca 0.02 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 2k8m s THR 56 Cb -0.13 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 70.77 2k8m s THR 56 CO 0.03 0.00 1.35 -0.75 -0.54 0.00 0.00 174.62 174.70 2k8m s LYS 57 N -5.54 4.34 -0.29 3.99 2.20 -1.26 -4.83 119.74 118.36 2k8m s LYS 57 Ca 0.67 2.20 -0.28 0.00 -0.36 0.00 0.00 55.97 58.20 2k8m s LYS 57 Cb -0.10 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 2k8m s LYS 57 CO 0.53 -0.27 2.04 0.54 -0.36 0.00 0.00 175.35 177.82 2k8m s VAL 58 N -0.47 3.22 -1.19 4.02 0.11 -1.26 -4.75 120.40 120.07 2k8m s VAL 58 Ca 0.54 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.66 2k8m s VAL 58 Cb -0.40 -3.30 0.16 0.00 -1.53 0.00 0.00 36.38 31.31 2k8m s VAL 58 CO 0.46 -0.20 1.44 -1.00 -3.33 0.00 0.00 175.10 172.47 2k8m s HIS 59 N 7.88 3.40 0.25 1.54 0.09 -1.26 -5.00 115.29 122.20 2k8m s HIS 59 Ca 0.91 -2.03 -0.30 0.00 -0.00 0.00 0.00 55.06 53.64 2k8m s HIS 59 Cb -0.27 -4.35 -0.09 0.00 -0.00 0.00 0.00 32.58 27.86 2k8m s HIS 59 CO 0.34 -1.44 1.28 -0.98 -0.00 0.00 0.00 174.74 173.94 2k8m s ARG 60 N 1.92 4.41 -0.74 1.40 1.04 -1.26 -3.39 118.95 122.32 2k8m s ARG 60 Ca 0.43 2.08 -0.02 0.00 -1.04 0.00 0.00 55.73 57.17 2k8m s ARG 60 Cb -0.02 -3.16 0.00 0.00 -2.04 0.00 0.00 34.95 29.73 2k8m s ARG 60 CO -0.00 -0.18 0.66 1.63 -0.04 0.00 0.00 175.30 177.37 2k8m n LYS 61 N 1.90 -1.48 -3.50 3.89 4.76 -0.92 -4.95 118.16 117.86 2k8m n LYS 61 Ca 0.03 1.28 -0.16 0.00 -2.87 0.00 0.00 58.31 56.59 2k8m n LYS 61 Cb 0.43 -4.44 -0.05 0.00 -1.84 0.00 0.00 35.03 29.13 2k8m n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k8m s THR 62 N -2.92 0.00 0.00 -0.18 -1.32 -0.19 -4.91 115.64 106.12 2k8m s THR 62 Ca 0.03 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2k8m s THR 62 Cb -0.01 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2k8m s THR 62 CO 0.81 -0.02 0.60 0.18 -2.21 0.00 0.00 174.62 173.98 2k8m n LEU 63 N 0.56 1.19 -3.03 9.08 4.77 -1.26 -4.04 117.00 124.26 2k8m n LEU 63 Ca -0.18 -1.19 -0.07 0.00 -0.03 0.00 0.00 56.01 54.53 2k8m n LEU 63 Cb 0.59 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2k8m n LEU 63 CO 0.21 0.30 0.02 0.21 -1.33 0.00 0.00 177.39 176.80 2k8m s ASN 64 N -0.26 -0.78 0.06 -1.43 2.47 -1.26 -3.75 114.94 109.98 2k8m s ASN 64 Ca 0.00 -1.64 -0.29 0.00 0.42 0.00 0.00 52.86 51.35 2k8m s ASN 64 Cb 0.00 1.46 -0.05 0.00 -1.45 0.00 0.00 41.25 41.21 2k8m s ASN 64 CO 0.00 -0.12 0.92 -2.16 -3.72 0.00 0.00 177.10 172.01 2k8m s PRO 65 N 1.09 4.61 -0.51 0.43 0.04 -1.24 -4.94 135.00 134.48 2k8m s PRO 65 Ca 0.25 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.66 2k8m s PRO 65 Cb -0.03 -3.40 0.15 0.00 0.04 0.00 0.00 34.50 31.26 2k8m s PRO 65 CO -0.07 0.14 0.31 0.14 0.04 0.00 0.00 177.00 177.56 2k8m s VAL 66 N 0.32 1.81 0.00 -0.36 -7.23 -1.26 -3.61 120.40 110.06 2k8m s VAL 66 Ca 0.46 -3.07 0.00 0.00 -1.81 0.00 0.00 61.98 57.57 2k8m s VAL 66 Cb -0.22 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2k8m s VAL 66 CO 0.27 -0.94 0.00 0.33 -0.31 0.00 0.00 175.10 174.45 2k8m n PHE 67 N 3.05 0.00 -2.93 2.82 -0.00 -1.26 -5.07 117.46 114.07 2k8m n PHE 67 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.46 2k8m n PHE 67 Cb 0.36 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 39.90 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k8m n ASN 68 N -2.20 -5.06 -4.77 -2.13 5.15 -1.24 -4.99 115.26 100.02 2k8m n ASN 68 Ca 0.00 -0.55 -0.33 0.00 -0.60 0.00 0.00 54.58 53.10 2k8m n ASN 68 Cb 0.45 -4.24 0.05 0.00 -0.53 0.00 0.00 39.78 35.51 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k8m s GLU 69 N -4.28 2.81 -0.22 1.20 8.01 -1.26 -4.84 118.70 120.12 2k8m s GLU 69 Ca 0.30 1.41 -0.06 0.00 0.01 0.00 0.00 54.97 56.63 2k8m s GLU 69 Cb -0.04 -1.95 -0.03 0.00 -4.31 0.00 0.00 34.13 27.80 2k8m s GLU 69 CO 0.59 -1.25 0.03 -1.14 0.01 0.00 0.00 175.26 173.50 2k8m s GLN 70 N -4.05 3.64 -0.16 1.61 -0.44 -1.26 -3.86 119.66 115.13 2k8m s GLN 70 Ca 0.67 -0.50 -0.03 0.00 -2.50 0.00 0.00 55.36 53.01 2k8m s GLN 70 Cb -0.21 -3.20 -0.02 0.00 -1.64 0.00 0.00 33.01 27.94 2k8m s GLN 70 CO 0.41 -0.08 -0.06 0.12 0.50 0.00 0.00 175.29 176.18 2k8m s PHE 71 N 1.29 2.97 -0.57 1.67 5.36 -0.76 -5.02 117.98 122.92 2k8m s PHE 71 Ca 0.04 -0.45 -0.20 0.00 -0.96 0.00 0.00 56.93 55.36 2k8m s PHE 71 Cb -0.15 -1.95 0.07 0.00 -0.34 0.00 0.00 43.02 40.66 2k8m s PHE 71 CO 0.02 -0.14 0.76 0.99 -1.46 0.00 0.00 175.22 175.40 2k8m s THR 72 N 0.50 4.68 -1.31 0.12 2.01 -1.26 -2.13 115.64 118.25 2k8m s THR 72 Ca -0.05 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 2k8m s THR 72 Cb -0.15 -4.47 0.04 0.00 0.01 0.00 0.00 72.50 67.93 2k8m s THR 72 CO 0.03 -1.09 1.87 0.33 -0.69 0.00 0.00 174.62 175.08 2k8m n PHE 73 N 6.71 4.16 -1.80 4.92 7.35 -0.82 -4.91 117.46 133.07 2k8m n PHE 73 Ca -0.06 -2.72 -0.21 0.00 -0.76 0.00 0.00 57.45 53.71 2k8m n PHE 73 Cb 0.45 -2.59 -0.06 0.00 0.35 0.00 0.00 39.48 37.63 2k8m n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2k8m s LYS 74 N 4.21 2.07 -0.29 -4.13 -0.14 -1.26 -2.41 119.74 117.80 2k8m s LYS 74 Ca 0.54 0.14 -0.16 0.00 -1.36 0.00 0.00 55.97 55.13 2k8m s LYS 74 Cb 0.06 -4.90 0.14 0.00 -1.68 0.00 0.00 37.83 31.44 2k8m s LYS 74 CO 0.05 -3.90 0.91 0.08 -0.76 0.00 0.00 175.35 171.73 2k8m s VAL 75 N 12.44 -0.13 0.49 3.17 1.01 -1.23 -4.83 120.40 131.32 2k8m s VAL 75 Ca 0.82 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.57 2k8m s VAL 75 Cb -0.10 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 2k8m s VAL 75 CO 0.04 0.00 1.17 -2.65 0.00 0.00 0.00 175.10 173.66 2k8m n PRO 76 N 4.10 1.52 0.26 2.72 -0.02 -1.24 -3.97 135.00 138.37 2k8m n PRO 76 Ca -0.17 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 2k8m n PRO 76 Cb 0.57 -2.31 0.91 0.00 -0.02 0.00 0.00 33.50 32.64 2k8m n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k8m h TYR 77 N 1.46 0.00 0.00 6.00 -0.00 -1.93 0.23 116.97 122.73 2k8m h TYR 77 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 2k8m h TYR 77 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 2k8m h TYR 77 CO 0.44 0.00 0.00 0.77 -0.00 0.00 0.00 178.16 179.37 2k8m h SER 78 N 0.00 0.00 -0.53 0.10 0.02 -1.99 -2.75 113.55 108.40 2k8m h SER 78 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k8m h SER 78 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2k8m h SER 78 CO -0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2k8m n GLU 79 N -2.80 3.44 0.10 3.45 1.02 0.82 -4.31 120.64 122.37 2k8m n GLU 79 Ca 0.02 -2.73 0.13 0.00 -0.02 0.00 0.00 57.16 54.56 2k8m n GLU 79 Cb 0.34 -1.77 0.41 0.00 -0.02 0.00 0.00 31.44 30.40 2k8m n GLU 79 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2k8m n LEU 80 N 0.74 0.80 -0.00 -4.62 -0.00 -1.04 -3.42 117.00 109.46 2k8m n LEU 80 Ca 0.22 0.57 -0.08 0.00 -0.00 0.00 0.00 56.01 56.73 2k8m n LEU 80 Cb 0.80 -0.32 0.09 0.00 -0.00 0.00 0.00 43.42 44.00 2k8m n LEU 80 CO 0.19 -0.18 0.57 1.23 -0.00 0.00 0.00 177.39 179.21 2k8m h GLY 81 N 4.53 0.61 -3.31 1.47 0.00 -1.79 -2.78 103.07 101.81 2k8m h GLY 81 Ca 0.00 -0.63 -0.47 0.00 0.00 0.00 0.00 47.33 46.23 2k8m h GLY 81 CO 0.00 0.57 -0.28 0.61 0.00 0.00 0.00 176.54 177.44 2k8m n GLY 82 N 0.04 5.91 2.84 4.60 0.00 -1.22 -4.34 105.19 113.01 2k8m n GLY 82 Ca -0.02 -2.21 -0.23 0.00 0.00 0.00 0.00 46.02 43.56 2k8m n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8m s LYS 83 N -3.56 0.91 -0.21 1.61 2.47 -1.20 -5.02 119.74 114.74 2k8m s LYS 83 Ca 0.52 -0.04 0.01 0.00 -1.56 0.00 0.00 55.97 54.90 2k8m s LYS 83 Cb 0.43 -1.10 0.05 0.00 -1.46 0.00 0.00 37.83 35.75 2k8m s LYS 83 CO 0.01 -0.23 -0.11 0.99 0.16 0.00 0.00 175.35 176.18 2k8m s THR 84 N 1.61 1.75 0.15 3.43 2.01 -1.26 -2.97 115.64 120.37 2k8m s THR 84 Ca 0.00 -1.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.66 2k8m s THR 84 Cb -0.13 -1.84 -0.08 0.00 0.01 0.00 0.00 72.50 70.47 2k8m s THR 84 CO -0.04 0.13 0.69 -1.48 -0.69 0.00 0.00 174.62 173.23 2k8m s LEU 85 N 1.34 4.49 -0.06 4.42 0.05 -1.24 -4.31 118.68 123.36 2k8m s LEU 85 Ca -0.03 1.44 0.04 0.00 0.05 0.00 0.00 54.13 55.63 2k8m s LEU 85 Cb -0.17 -3.25 0.00 0.00 -2.05 0.00 0.00 46.19 40.72 2k8m s LEU 85 CO -0.08 0.17 -0.18 0.68 -0.55 0.00 0.00 176.35 176.40 2k8m s VAL 86 N -1.26 1.56 -0.34 1.48 -7.23 -1.00 -2.73 120.40 110.88 2k8m s VAL 86 Ca 0.36 -0.76 -0.05 0.00 -1.81 0.00 0.00 61.98 59.72 2k8m s VAL 86 Cb -0.20 -1.35 0.05 0.00 0.56 0.00 0.00 36.38 35.44 2k8m s VAL 86 CO 0.22 0.45 0.09 -0.32 -0.31 0.00 0.00 175.10 175.23 2k8m s MET 87 N 0.26 2.50 -0.17 4.82 0.00 0.43 -1.55 119.30 125.59 2k8m s MET 87 Ca -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 55.69 54.26 2k8m s MET 87 Cb -0.14 -3.40 -0.03 0.00 0.00 0.00 0.00 34.83 31.26 2k8m s MET 87 CO 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 175.02 174.35 2k8m s ALA 88 N 1.33 3.07 -0.20 4.11 0.00 -1.00 -1.56 121.76 127.51 2k8m s ALA 88 Ca -0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 2k8m s ALA 88 Cb -0.20 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2k8m s ALA 88 CO 0.01 0.10 0.46 0.54 0.00 0.00 0.00 175.76 176.86 2k8m s VAL 89 N 0.56 5.15 0.03 0.00 0.11 -0.37 -0.79 120.40 125.10 2k8m s VAL 89 Ca -0.01 0.82 0.03 0.00 -2.93 0.00 0.00 61.98 59.88 2k8m s VAL 89 Cb -0.14 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 2k8m s VAL 89 CO 0.02 0.21 0.01 -0.47 -3.33 0.00 0.00 175.10 171.54 2k8m s TYR 90 N 1.51 3.06 0.29 1.54 6.14 -0.15 -2.56 117.35 127.19 2k8m s TYR 90 Ca 0.21 0.05 0.02 0.00 0.64 0.00 0.00 57.07 57.99 2k8m s TYR 90 Cb -0.15 -1.63 -0.03 0.00 0.42 0.00 0.00 41.96 40.57 2k8m s TYR 90 CO 0.09 0.47 0.46 0.34 0.64 0.00 0.00 175.55 177.55 2k8m s ASP 91 N -1.84 6.32 -0.35 4.32 2.15 -1.19 0.16 116.67 126.24 2k8m s ASP 91 Ca 0.22 0.30 0.15 0.00 0.43 0.00 0.00 52.55 53.65 2k8m s ASP 91 Cb -0.12 -1.96 0.41 0.00 -0.30 0.00 0.00 42.92 40.95 2k8m s ASP 91 CO 0.14 -0.18 0.87 0.33 -0.17 0.00 0.00 175.17 176.16 2k8m n PHE 92 N -1.49 0.59 0.33 -5.34 7.35 -0.05 -4.68 117.46 114.18 2k8m n PHE 92 Ca -0.06 -3.21 0.17 0.00 -0.76 0.00 0.00 57.45 53.60 2k8m n PHE 92 Cb 0.56 -0.32 0.93 0.00 0.35 0.00 0.00 39.48 40.99 2k8m n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k8m h ASP 93 N 2.98 0.00 -0.70 -2.13 2.03 -1.89 -3.43 116.42 113.28 2k8m h ASP 93 Ca -0.02 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.10 2k8m h ASP 93 Cb 1.09 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.54 2k8m h ASP 93 CO 0.48 0.00 -0.19 0.54 -1.03 0.00 0.00 179.24 179.04 2k8m n ARG 94 N -2.96 -0.67 0.09 4.15 3.00 -1.26 -4.79 116.66 114.22 2k8m n ARG 94 Ca -0.02 0.71 0.00 0.00 -0.01 0.00 0.00 57.85 58.53 2k8m n ARG 94 Cb 0.30 -4.63 0.00 0.00 0.00 0.00 0.00 32.46 28.13 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k8m n PHE 95 N -3.11 -2.02 -1.69 -1.55 7.35 -1.26 -5.13 117.46 110.05 2k8m n PHE 95 Ca -0.10 0.42 -0.29 0.00 -0.76 0.00 0.00 57.45 56.72 2k8m n PHE 95 Cb 0.39 1.10 0.11 0.00 0.35 0.00 0.00 39.48 41.42 2k8m n PHE 95 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k8m s SER 96 N -3.56 4.03 -1.54 -2.13 0.15 -1.26 -4.90 113.70 104.50 2k8m s SER 96 Ca 0.00 0.93 -0.12 0.00 0.70 0.00 0.00 55.95 57.46 2k8m s SER 96 Cb 0.00 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.80 2k8m s SER 96 CO 0.00 -2.22 2.57 0.29 1.20 0.00 0.00 173.24 175.09 2k8m n LYS 97 N -3.54 3.29 -1.56 5.44 4.76 -1.26 -4.85 118.16 120.44 2k8m n LYS 97 Ca 0.07 -2.44 -0.48 0.00 -2.87 0.00 0.00 58.31 52.59 2k8m n LYS 97 Cb 0.60 -3.04 -0.03 0.00 -1.84 0.00 0.00 35.03 30.71 2k8m n LYS 97 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2k8m n HIS 98 N 4.81 1.07 -3.41 2.13 1.44 -1.26 -4.99 115.22 115.02 2k8m n HIS 98 Ca 0.65 0.73 0.00 0.00 -2.01 0.00 0.00 57.72 57.09 2k8m n HIS 98 Cb 0.31 -2.23 0.00 0.00 0.12 0.00 0.00 29.99 28.19 2k8m n HIS 98 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2k8m n ASP 99 N 1.80 1.07 -4.60 4.39 -0.08 -1.26 -4.82 116.55 113.04 2k8m n ASP 99 Ca 0.14 -0.41 -0.43 0.00 -1.51 0.00 0.00 54.79 52.59 2k8m n ASP 99 Cb 0.26 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.70 2k8m n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2k8m s ILE 100 N -0.55 4.07 -0.87 5.18 1.01 -1.26 -3.16 121.20 125.62 2k8m s ILE 100 Ca 0.00 1.10 0.27 0.00 0.00 0.00 0.00 60.65 62.03 2k8m s ILE 100 Cb 0.00 -4.40 0.23 0.00 0.01 0.00 0.00 42.46 38.30 2k8m s ILE 100 CO 0.00 -0.86 1.78 2.30 0.00 0.00 0.00 174.94 178.17 2k8m n ILE 101 N 6.89 0.26 0.00 2.92 -5.35 -1.06 -4.50 119.36 118.53 2k8m n ILE 101 Ca 0.14 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 2k8m n ILE 101 Cb 0.48 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 2k8m n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k8m n GLY 102 N 1.41 1.08 3.80 3.28 0.00 -1.25 -4.35 105.19 109.15 2k8m n GLY 102 Ca 0.06 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8m s GLU 103 N -2.00 2.05 -0.07 1.61 -1.05 -0.22 -1.24 118.70 117.77 2k8m s GLU 103 Ca 0.00 -1.30 -0.24 0.00 -0.15 0.00 0.00 54.97 53.28 2k8m s GLU 103 Cb 0.00 0.61 0.05 0.00 -0.44 0.00 0.00 34.13 34.35 2k8m s GLU 103 CO 0.00 -0.94 0.55 -0.59 0.95 0.00 0.00 175.26 175.22 2k8m s PHE 104 N -2.94 -0.51 0.03 4.83 -0.12 -0.60 -3.05 117.98 115.62 2k8m s PHE 104 Ca 0.15 0.95 0.01 0.00 -0.05 0.00 0.00 56.93 58.00 2k8m s PHE 104 Cb -0.05 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 2k8m s PHE 104 CO 0.10 -0.48 -0.06 -1.59 -0.05 0.00 0.00 175.22 173.15 2k8m s LYS 105 N -0.92 0.44 -0.05 1.99 0.00 -1.26 -0.43 119.74 119.51 2k8m s LYS 105 Ca -0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 55.97 55.18 2k8m s LYS 105 Cb -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 37.83 37.70 2k8m s LYS 105 CO 0.06 0.02 0.10 0.54 0.00 0.00 0.00 175.35 176.07 2k8m s VAL 106 N -1.35 -0.12 -0.38 1.79 0.11 -1.10 -5.04 120.40 114.29 2k8m s VAL 106 Ca -0.12 0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.94 2k8m s VAL 106 Cb -0.10 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2k8m s VAL 106 CO -0.00 0.12 1.59 -2.16 -3.33 0.00 0.00 175.10 171.32 2k8m s PRO 107 N 1.65 3.44 0.42 1.54 0.04 -1.26 -3.61 135.00 137.21 2k8m s PRO 107 Ca -0.03 1.13 0.29 0.00 0.04 0.00 0.00 61.00 62.44 2k8m s PRO 107 Cb -0.12 -4.11 1.36 0.00 0.04 0.00 0.00 34.50 31.67 2k8m s PRO 107 CO -0.05 -1.73 1.88 0.52 0.04 0.00 0.00 177.00 177.66 2k8m h MET 108 N 11.78 0.00 -0.36 4.56 2.86 -1.73 -2.17 114.93 129.86 2k8m h MET 108 Ca -0.30 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.23 2k8m h MET 108 Cb 1.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2k8m h MET 108 CO 1.07 0.00 -0.20 -0.97 1.06 0.00 0.00 176.91 177.86 2k8m h ASN 109 N 0.00 0.70 0.62 1.22 -1.24 -1.69 -3.04 115.58 112.15 2k8m h ASN 109 Ca 0.00 -0.24 -0.28 0.00 0.71 0.00 0.00 56.30 56.49 2k8m h ASN 109 Cb 0.27 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.13 2k8m h ASN 109 CO 0.00 0.90 -1.28 0.74 -1.29 0.00 0.00 177.43 176.50 2k8m h THR 110 N 0.62 1.46 -3.34 -3.57 2.02 -1.74 -3.45 112.91 104.91 2k8m h THR 110 Ca 0.09 -3.04 -0.54 0.00 0.77 0.00 0.00 66.41 63.69 2k8m h THR 110 Cb 0.68 2.92 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 2k8m h THR 110 CO 0.05 0.88 0.43 -0.69 0.37 0.00 0.00 175.52 176.57 2k8m s VAL 111 N -2.65 4.59 0.23 3.16 1.01 -1.06 -5.04 120.40 120.65 2k8m s VAL 111 Ca -0.04 1.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.72 2k8m s VAL 111 Cb 0.07 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2k8m s VAL 111 CO 0.88 0.15 0.53 1.51 0.00 0.00 0.00 175.10 178.16 2k8m s ASP 112 N 1.01 6.56 -0.50 3.32 -4.77 -1.26 -4.85 116.67 116.18 2k8m s ASP 112 Ca 0.54 0.82 0.02 0.00 -3.30 0.00 0.00 52.55 50.64 2k8m s ASP 112 Cb -0.24 -2.19 0.50 0.00 -1.09 0.00 0.00 42.92 39.91 2k8m s ASP 112 CO 0.28 -0.09 1.77 2.22 0.70 0.00 0.00 175.17 180.06 2k8m n PHE 113 N -0.31 2.80 -0.11 2.11 1.16 -1.26 -4.68 117.46 117.17 2k8m n PHE 113 Ca -0.00 -2.45 -0.09 0.00 -1.87 0.00 0.00 57.45 53.04 2k8m n PHE 113 Cb 0.53 -1.01 -0.01 0.00 -1.61 0.00 0.00 39.48 37.38 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k8m h GLY 114 N 1.70 0.53 0.00 4.97 0.00 -2.01 -3.46 103.07 104.79 2k8m h GLY 114 Ca 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2k8m h GLY 114 CO 1.17 0.21 0.00 1.42 0.00 0.00 0.00 176.54 179.34 2k8m n HIS 115 N -4.80 0.00 -3.86 5.60 8.25 -1.26 -5.09 115.22 114.06 2k8m n HIS 115 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2k8m n HIS 115 Cb 0.05 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 2k8m n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k8m s VAL 116 N 0.18 0.01 -0.90 1.59 -7.23 -1.26 -4.17 120.40 108.62 2k8m s VAL 116 Ca 0.00 -0.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.99 2k8m s VAL 116 Cb 0.00 -0.11 0.23 0.00 0.56 0.00 0.00 36.38 37.05 2k8m s VAL 116 CO 0.00 -0.05 0.82 -0.89 -0.31 0.00 0.00 175.10 174.66 2k8m s THR 117 N -0.15 5.11 -0.22 5.32 2.01 0.12 -4.92 115.64 122.90 2k8m s THR 117 Ca -0.02 -3.18 -0.08 0.00 0.31 0.00 0.00 61.69 58.72 2k8m s THR 117 Cb -0.01 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2k8m s THR 117 CO 0.00 -1.06 0.10 -1.61 -0.69 0.00 0.00 174.62 171.36 2k8m s GLU 118 N -0.67 3.91 0.27 4.92 2.02 -1.26 -1.05 118.70 126.84 2k8m s GLU 118 Ca 0.24 -0.36 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 2k8m s GLU 118 Cb -0.11 -3.37 0.06 0.00 0.10 0.00 0.00 34.13 30.81 2k8m s GLU 118 CO -0.09 0.05 0.75 -0.85 0.02 0.00 0.00 175.26 175.15 2k8m n GLU 119 N 4.25 0.81 -3.59 1.61 0.28 -0.73 -5.01 120.64 118.26 2k8m n GLU 119 Ca -0.16 -1.66 -0.27 0.00 -0.16 0.00 0.00 57.16 54.91 2k8m n GLU 119 Cb 0.52 2.12 -0.10 0.00 1.43 0.00 0.00 31.44 35.41 2k8m n GLU 119 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2k8m n TRP 120 N -0.52 2.88 -1.81 -1.84 7.02 -1.26 -1.72 117.44 120.19 2k8m n TRP 120 Ca -0.05 -4.12 -0.41 0.00 -1.02 0.00 0.00 57.50 51.89 2k8m n TRP 120 Cb 0.50 -0.51 -0.02 0.00 -2.42 0.00 0.00 31.31 28.86 2k8m n TRP 120 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2k8m s ARG 121 N -1.82 4.14 0.33 -0.99 6.06 -0.72 -4.64 118.95 121.31 2k8m s ARG 121 Ca 0.33 2.54 -0.26 0.00 -2.50 0.00 0.00 55.73 55.84 2k8m s ARG 121 Cb 0.07 -3.03 -0.10 0.00 0.06 0.00 0.00 34.95 31.95 2k8m s ARG 121 CO -0.09 -0.59 0.97 0.16 -2.50 0.00 0.00 175.30 173.24 2k8m s ASP 122 N 0.42 7.27 0.03 -2.12 -4.77 -1.26 -0.29 116.67 115.96 2k8m s ASP 122 Ca 0.62 1.89 0.01 0.00 -3.30 0.00 0.00 52.55 51.76 2k8m s ASP 122 Cb -0.47 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 38.74 2k8m s ASP 122 CO 0.48 -0.12 0.11 -0.76 0.70 0.00 0.00 175.17 175.59 2k8m s LEU 123 N -2.07 3.98 0.01 2.11 1.43 0.04 -4.87 118.68 119.31 2k8m s LEU 123 Ca 0.51 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.79 2k8m s LEU 123 Cb -0.20 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 2k8m s LEU 123 CO 0.25 0.22 -0.18 0.00 0.23 0.00 0.00 176.35 176.88 2k8m s GLN 124 N -2.10 1.32 -1.36 1.70 -2.07 -1.17 -1.38 119.66 114.60 2k8m s GLN 124 Ca 0.27 -0.74 -0.15 0.00 -1.82 0.00 0.00 55.36 52.92 2k8m s GLN 124 Cb -0.12 -1.33 0.07 0.00 -1.09 0.00 0.00 33.01 30.54 2k8m s GLN 124 CO 0.19 0.35 1.93 -1.13 -1.32 0.00 0.00 175.29 175.32 2k8m n SER 125 N 2.28 4.53 -4.47 12.60 3.41 -1.25 -1.06 113.62 129.66 2k8m n SER 125 Ca -0.16 -2.91 -0.43 0.00 -0.26 0.00 0.00 58.87 55.11 2k8m n SER 125 Cb 0.54 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 2k8m n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8m n ALA 126 N 6.88 3.85 -1.11 7.33 0.00 -1.26 -4.81 120.51 131.39 2k8m n ALA 126 Ca 0.49 -4.05 -0.34 0.00 0.00 0.00 0.00 53.44 49.53 2k8m n ALA 126 Cb 0.42 -3.32 0.11 0.00 0.00 0.00 0.00 19.45 16.66 2k8m n ALA 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k8m n GLU 127 N 6.85 0.15 0.00 0.00 1.02 -1.26 -4.73 120.64 122.67 2k8m n GLU 127 Ca 0.43 0.11 0.03 0.00 -0.02 0.00 0.00 57.16 57.71 2k8m n GLU 127 Cb 0.44 -2.17 0.02 0.00 -0.02 0.00 0.00 31.44 29.70 2k8m n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94