#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 2.07 0.00 3.49 0.00 -1.26 -3.98 119.74 120.06 2k8m s LYS 2 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 55.97 55.01 2k8m s LYS 2 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 37.83 35.76 2k8m s LYS 2 CO 0.00 0.55 0.00 -0.11 0.00 0.00 0.00 175.35 175.79 2k8m n LEU 3 N 2.21 0.00 0.00 2.77 7.94 -0.72 -3.88 117.00 125.32 2k8m n LEU 3 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2k8m n LEU 3 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2k8m n LEU 3 CO 0.23 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.13 2k8m n GLY 4 N 0.00 0.29 2.99 -3.96 0.00 -1.20 -4.12 105.19 99.18 2k8m n GLY 4 Ca 0.00 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 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 0.34 -0.06 1.61 1.02 -0.84 -0.52 119.74 121.28 2k8m s LYS 5 Ca 0.00 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.37 2k8m s LYS 5 Cb 0.00 0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.40 2k8m s LYS 5 CO 0.00 -0.04 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.14 2k8m s LEU 6 N -1.50 1.46 -0.17 3.17 0.20 0.86 0.14 118.68 122.84 2k8m s LEU 6 Ca -0.15 -0.22 -0.13 0.00 0.69 0.00 0.00 54.13 54.33 2k8m s LEU 6 Cb -0.10 -0.65 -0.05 0.00 -0.43 0.00 0.00 46.19 44.97 2k8m s LEU 6 CO -0.01 -0.02 0.25 -1.10 -0.29 0.00 0.00 176.35 175.18 2k8m s GLN 7 N 0.86 4.22 -0.01 1.98 -1.52 0.10 -1.24 119.66 124.05 2k8m s GLN 7 Ca -0.12 0.02 -0.18 0.00 -1.95 0.00 0.00 55.36 53.14 2k8m s GLN 7 Cb -0.15 -3.42 0.03 0.00 -0.22 0.00 0.00 33.01 29.26 2k8m s GLN 7 CO 0.01 0.27 0.39 1.52 -0.25 0.00 0.00 175.29 177.23 2k8m s TYR 8 N 0.39 -0.27 -0.23 0.91 1.13 -1.14 -0.84 117.35 117.29 2k8m s TYR 8 Ca 0.15 0.40 0.02 0.00 -1.41 0.00 0.00 57.07 56.23 2k8m s TYR 8 Cb -0.13 0.16 0.05 0.00 -1.10 0.00 0.00 41.96 40.95 2k8m s TYR 8 CO 0.03 -0.45 -0.13 -1.54 -2.51 0.00 0.00 175.55 170.95 2k8m s SER 9 N -1.40 4.00 -0.28 -0.18 1.04 -0.16 -2.58 113.70 114.13 2k8m s SER 9 Ca -0.12 -1.16 -0.09 0.00 0.48 0.00 0.00 55.95 55.06 2k8m s SER 9 Cb -0.04 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 2k8m s SER 9 CO 0.04 -0.14 0.12 -0.76 0.98 0.00 0.00 173.24 173.48 2k8m s LEU 10 N 1.19 3.80 0.43 2.42 1.43 -0.42 -2.28 118.68 125.25 2k8m s LEU 10 Ca -0.05 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2k8m s LEU 10 Cb -0.18 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2k8m s LEU 10 CO -0.07 -0.10 0.04 1.51 0.23 0.00 0.00 176.35 177.96 2k8m s ASP 11 N 1.64 3.44 0.08 2.29 -4.77 -0.91 0.20 116.67 118.64 2k8m s ASP 11 Ca 0.06 -1.53 -0.02 0.00 -3.30 0.00 0.00 52.55 47.76 2k8m s ASP 11 Cb -0.16 0.16 -0.04 0.00 -1.09 0.00 0.00 42.92 41.79 2k8m s ASP 11 CO 0.06 -0.72 0.02 -0.72 0.70 0.00 0.00 175.17 174.51 2k8m s TYR 12 N -2.99 0.63 0.00 2.11 1.13 -1.26 0.07 117.35 117.05 2k8m s TYR 12 Ca 0.23 -1.10 0.01 0.00 -1.41 0.00 0.00 57.07 54.80 2k8m s TYR 12 Cb 0.05 -0.40 -0.01 0.00 -1.10 0.00 0.00 41.96 40.51 2k8m s TYR 12 CO 0.12 -0.45 -0.03 0.34 -2.51 0.00 0.00 175.55 173.02 2k8m s ASP 13 N -2.97 0.32 0.00 -0.18 -1.08 -0.56 -4.90 116.67 107.31 2k8m s ASP 13 Ca 0.14 -0.13 0.15 0.00 -0.52 0.00 0.00 52.55 52.19 2k8m s ASP 13 Cb 0.08 -0.01 0.24 0.00 -1.46 0.00 0.00 42.92 41.76 2k8m s ASP 13 CO -0.05 -0.02 1.13 2.22 0.52 0.00 0.00 175.17 178.97 2k8m n PHE 14 N 2.76 0.25 -0.01 -5.34 1.16 -1.26 -2.30 117.46 112.72 2k8m n PHE 14 Ca -0.14 -0.20 -0.13 0.00 -1.87 0.00 0.00 57.45 55.11 2k8m n PHE 14 Cb 0.58 -0.01 -0.14 0.00 -1.61 0.00 0.00 39.48 38.31 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 0.88 0.68 -0.00 3.97 10.64 -1.26 -4.09 117.38 128.20 2k8m n GLN 15 Ca 0.12 0.29 0.08 0.00 -1.83 0.00 0.00 57.00 55.65 2k8m n GLN 15 Cb 0.43 -1.77 -0.09 0.00 -0.86 0.00 0.00 30.24 27.95 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 -3.21 0.79 -3.19 2.61 0.23 -1.26 -5.03 115.26 106.20 2k8m n ASN 16 Ca -0.22 -0.83 -0.08 0.00 -0.53 0.00 0.00 54.58 52.92 2k8m n ASN 16 Cb 1.05 1.05 0.03 0.00 -2.08 0.00 0.00 39.78 39.82 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 -1.42 -7.16 -3.79 0.53 2.85 -1.17 -4.93 115.26 100.15 2k8m n ASN 17 Ca 0.03 -0.38 -0.05 0.00 -0.11 0.00 0.00 54.58 54.07 2k8m n ASN 17 Cb 0.26 -5.03 -0.02 0.00 1.24 0.00 0.00 39.78 36.24 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 -3.72 1.43 0.02 1.20 1.03 -0.97 -3.62 119.66 115.04 2k8m s GLN 18 Ca 0.18 -0.79 0.01 0.00 0.04 0.00 0.00 55.36 54.81 2k8m s GLN 18 Cb -0.03 0.49 -0.04 0.00 0.03 0.00 0.00 33.01 33.46 2k8m s GLN 18 CO 0.76 -0.66 0.05 -0.51 -2.54 0.00 0.00 175.29 172.39 2k8m s LEU 19 N -2.93 3.71 -0.43 2.60 1.43 -0.89 -1.49 118.68 120.68 2k8m s LEU 19 Ca 0.12 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2k8m s LEU 19 Cb -0.03 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 44.03 2k8m s LEU 19 CO 0.04 0.24 0.29 -0.22 0.23 0.00 0.00 176.35 176.94 2k8m s LEU 20 N -1.87 5.25 -0.56 1.79 1.98 0.11 -0.50 118.68 124.88 2k8m s LEU 20 Ca 0.23 -1.41 -0.21 0.00 -2.89 0.00 0.00 54.13 49.85 2k8m s LEU 20 Cb -0.12 -2.05 0.06 0.00 0.66 0.00 0.00 46.19 44.75 2k8m s LEU 20 CO 0.15 -0.56 0.80 -0.69 -1.89 0.00 0.00 176.35 174.16 2k8m s VAL 21 N 1.50 4.61 -0.64 1.68 1.01 -0.44 -2.15 120.40 125.98 2k8m s VAL 21 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2k8m s VAL 21 Cb -0.23 -4.47 0.17 0.00 0.00 0.00 0.00 36.38 31.84 2k8m s VAL 21 CO 0.04 -1.08 0.49 -0.83 0.00 0.00 0.00 175.10 173.72 2k8m s GLY 22 N 3.07 2.46 -0.51 4.51 0.00 -0.97 -1.03 107.32 114.85 2k8m s GLY 22 Ca 0.20 -3.15 -0.28 0.00 0.00 0.00 0.00 44.72 41.50 2k8m s GLY 22 CO 0.13 1.13 1.12 -0.26 0.00 0.00 0.00 173.10 175.22 2k8m s ILE 23 N 0.23 4.18 0.03 0.90 -0.00 -1.19 -0.99 121.20 124.36 2k8m s ILE 23 Ca 0.15 1.02 -0.19 0.00 -0.00 0.00 0.00 60.65 61.64 2k8m s ILE 23 Cb -0.19 -4.62 -0.10 0.00 -0.00 0.00 0.00 42.46 37.54 2k8m s ILE 23 CO -0.04 -1.11 1.23 0.40 -0.00 0.00 0.00 174.94 175.43 2k8m h ILE 24 N 6.19 0.00 -2.19 8.37 2.04 -1.32 -3.00 117.51 127.60 2k8m h ILE 24 Ca -0.24 -0.03 0.14 0.00 1.00 0.00 0.00 64.86 65.74 2k8m h ILE 24 Cb 1.06 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.00 2k8m h ILE 24 CO 1.13 0.00 0.53 0.00 0.00 0.00 0.00 178.15 179.82 2k8m s GLN 25 N -4.40 0.81 -0.03 2.37 1.03 -1.05 -1.77 119.66 116.62 2k8m s GLN 25 Ca -0.10 -0.33 0.03 0.00 0.04 0.00 0.00 55.36 55.00 2k8m s GLN 25 Cb 0.01 0.35 -0.03 0.00 0.03 0.00 0.00 33.01 33.37 2k8m s GLN 25 CO 0.30 -0.36 -0.11 0.00 -2.54 0.00 0.00 175.29 172.58 2k8m s ALA 26 N -3.05 2.82 -0.05 2.60 0.00 -1.16 -0.72 121.76 122.20 2k8m s ALA 26 Ca 0.07 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.08 2k8m s ALA 26 Cb -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2k8m s ALA 26 CO -0.07 0.58 -0.21 0.00 0.00 0.00 0.00 175.76 176.06 2k8m s ALA 27 N -0.85 1.81 -0.76 0.00 0.00 0.12 -3.44 121.76 118.65 2k8m s ALA 27 Ca 0.14 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 2k8m s ALA 27 Cb -0.11 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 2k8m s ALA 27 CO 0.03 0.35 0.69 0.39 0.00 0.00 0.00 175.76 177.23 2k8m n GLU 28 N 2.98 -1.36 -3.72 0.00 1.02 -0.91 -1.99 120.64 116.66 2k8m n GLU 28 Ca -0.17 1.40 -0.34 0.00 -0.02 0.00 0.00 57.16 58.02 2k8m n GLU 28 Cb 0.52 -5.39 -0.05 0.00 -0.02 0.00 0.00 31.44 26.50 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k8m s LEU 29 N -4.14 4.36 0.71 -4.62 1.43 -1.03 -3.73 118.68 111.66 2k8m s LEU 29 Ca 0.01 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 2k8m s LEU 29 Cb -0.00 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2k8m s LEU 29 CO 0.77 0.23 1.26 -2.84 0.23 0.00 0.00 176.35 175.99 2k8m s PRO 30 N -1.83 2.20 0.66 1.29 0.02 -1.26 -4.84 135.00 131.24 2k8m s PRO 30 Ca 0.29 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 63.19 2k8m s PRO 30 Cb -0.13 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.61 2k8m s PRO 30 CO 0.17 -1.83 0.98 0.00 -0.33 0.00 0.00 177.00 175.99 2k8m s ALA 31 N -1.69 3.19 0.11 -1.55 0.00 -1.26 -4.73 121.76 115.83 2k8m s ALA 31 Ca 0.79 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2k8m s ALA 31 Cb -0.34 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2k8m s ALA 31 CO 0.44 -1.12 0.00 -0.11 0.00 0.00 0.00 175.76 174.97 2k8m n LEU 32 N -2.81 -0.67 -4.73 0.00 -0.00 -0.40 -4.93 117.00 103.47 2k8m n LEU 32 Ca 0.07 0.20 -0.34 0.00 -0.00 0.00 0.00 56.01 55.94 2k8m n LEU 32 Cb 0.59 0.85 0.09 0.00 -0.00 0.00 0.00 43.42 44.96 2k8m n LEU 32 CO 0.53 -0.41 0.77 -0.62 -0.00 0.00 0.00 177.39 177.66 2k8m s ASP 33 N -3.36 4.20 -1.42 1.96 2.15 0.04 -4.86 116.67 115.38 2k8m s ASP 33 Ca 0.00 2.26 -0.15 0.00 0.43 0.00 0.00 52.55 55.10 2k8m s ASP 33 Cb 0.00 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2k8m s ASP 33 CO 0.00 -2.25 2.19 0.23 -0.17 0.00 0.00 175.17 175.16 2k8m n MET 34 N -2.88 2.82 -0.21 4.34 2.81 -1.26 -3.37 117.12 119.38 2k8m n MET 34 Ca 0.13 -2.62 -0.00 0.00 -1.81 0.00 0.00 57.70 53.39 2k8m n MET 34 Cb 0.51 -3.29 -0.00 0.00 -0.71 0.00 0.00 33.22 29.72 2k8m n MET 34 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k8m n GLY 35 N 4.21 0.32 2.38 3.03 0.00 -1.26 -4.97 105.19 108.90 2k8m n GLY 35 Ca 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 1.00 2.44 -0.02 0.00 -1.22 -4.97 105.19 102.43 2k8m n GLY 36 Ca -0.01 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 2k8m n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k8m n THR 37 N -2.99 0.00 -3.85 2.61 -2.24 -1.25 -4.87 114.28 101.68 2k8m n THR 37 Ca -0.15 -1.83 -0.09 0.00 -2.27 0.00 0.00 64.05 59.71 2k8m n THR 37 Cb 0.52 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 2k8m n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k8m s SER 38 N -2.79 -0.21 -0.69 3.42 1.04 -1.26 -0.78 113.70 112.43 2k8m s SER 38 Ca 0.27 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 56.11 2k8m s SER 38 Cb 0.01 0.63 0.24 0.00 0.10 0.00 0.00 66.02 67.01 2k8m s SER 38 CO 0.19 -1.17 0.77 0.47 0.98 0.00 0.00 173.24 174.48 2k8m n ASP 39 N -0.39 3.89 -4.67 7.02 9.92 -1.26 -1.52 116.55 129.53 2k8m n ASP 39 Ca -0.06 -3.41 -0.41 0.00 -0.53 0.00 0.00 54.79 50.38 2k8m n ASP 39 Cb 0.61 -0.73 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 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 -2.37 4.28 -0.01 -0.24 0.04 -1.24 -0.48 135.00 134.98 2k8m s PRO 40 Ca 0.37 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.27 2k8m s PRO 40 Cb 0.11 -3.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 2k8m s PRO 40 CO -0.02 -0.25 -0.10 1.52 0.04 0.00 0.00 177.00 178.19 2k8m s TYR 41 N 1.90 0.90 -0.10 0.56 1.13 0.11 -4.26 117.35 117.58 2k8m s TYR 41 Ca 0.34 -0.18 -0.22 0.00 -1.41 0.00 0.00 57.07 55.60 2k8m s TYR 41 Cb -0.16 -0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 40.07 2k8m s TYR 41 CO 0.12 -0.03 0.64 0.14 -2.51 0.00 0.00 175.55 173.91 2k8m s VAL 42 N -0.14 5.07 -0.29 -3.49 -7.23 -1.26 -0.16 120.40 112.90 2k8m s VAL 42 Ca 0.02 1.29 0.03 0.00 -1.81 0.00 0.00 61.98 61.52 2k8m s VAL 42 Cb -0.05 -3.97 0.08 0.00 0.56 0.00 0.00 36.38 32.99 2k8m s VAL 42 CO -0.00 0.24 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.39 2k8m s LYS 43 N 0.97 1.91 0.14 4.82 -2.85 0.56 -3.34 119.74 121.94 2k8m s LYS 43 Ca 0.33 -1.54 -0.31 0.00 -1.00 0.00 0.00 55.97 53.45 2k8m s LYS 43 Cb -0.17 -2.99 -0.10 0.00 -2.06 0.00 0.00 37.83 32.51 2k8m s LYS 43 CO 0.15 -0.72 1.62 0.14 0.10 0.00 0.00 175.35 176.64 2k8m s VAL 44 N 1.04 2.69 0.13 1.79 -7.23 -1.17 -3.39 120.40 114.26 2k8m s VAL 44 Ca -0.01 0.41 0.08 0.00 -1.81 0.00 0.00 61.98 60.64 2k8m s VAL 44 Cb -0.20 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2k8m s VAL 44 CO -0.06 0.02 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.21 2k8m s PHE 45 N 1.64 1.67 0.48 2.82 0.40 -0.53 -3.83 117.98 120.63 2k8m s PHE 45 Ca 0.72 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.60 2k8m s PHE 45 Cb -0.43 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 2k8m s PHE 45 CO 0.32 0.23 0.04 -0.51 0.70 0.00 0.00 175.22 175.99 2k8m s LEU 46 N -2.30 2.22 0.00 -0.37 2.01 -1.26 -1.06 118.68 117.92 2k8m s LEU 46 Ca 0.10 -1.66 0.00 0.00 0.01 0.00 0.00 54.13 52.58 2k8m s LEU 46 Cb -0.07 -0.56 0.00 0.00 0.01 0.00 0.00 46.19 45.57 2k8m s LEU 46 CO 0.05 -0.87 0.00 0.00 1.01 0.00 0.00 176.35 176.54 2k8m n LEU 47 N -1.16 0.00 0.21 1.79 -0.00 -1.25 -4.68 117.00 111.91 2k8m n LEU 47 Ca -0.15 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.89 2k8m n LEU 47 Cb 0.66 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.23 2k8m n LEU 47 CO 0.38 -0.56 0.84 -0.65 -0.00 0.00 0.00 177.39 177.39 2k8m h PRO 48 N 0.00 0.00 0.12 1.47 0.11 -1.98 -1.33 132.00 130.39 2k8m h PRO 48 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 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 -0.31 0.22 -0.21 0.00 0.00 178.00 177.70 2k8m h ASP 49 N 0.00 -0.90 -4.37 -2.05 3.58 -1.96 -3.45 116.42 107.27 2k8m h ASP 49 Ca 0.00 0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 2k8m h ASP 49 Cb 1.31 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 42.69 2k8m h ASP 49 CO 0.00 -0.40 -0.22 0.29 -2.88 0.00 0.00 179.24 176.03 2k8m n LYS 50 N -5.41 -2.55 -1.10 0.28 4.76 -0.50 -4.82 118.16 108.81 2k8m n LYS 50 Ca -0.07 0.37 -0.24 0.00 -2.87 0.00 0.00 58.31 55.50 2k8m n LYS 50 Cb 0.32 -4.93 0.11 0.00 -1.84 0.00 0.00 35.03 28.69 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 -2.75 2.21 -3.64 1.97 5.02 -1.26 -4.89 118.16 114.83 2k8m n LYS 51 Ca -0.08 -2.60 -0.02 0.00 -2.02 0.00 0.00 58.31 53.58 2k8m n LYS 51 Cb 0.57 -2.02 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.94 0.09 -0.18 1.97 -2.85 -1.26 -4.78 119.74 109.78 2k8m s LYS 52 Ca 0.50 0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 55.19 2k8m s LYS 52 Cb 0.41 0.04 0.14 0.00 -2.06 0.00 0.00 37.83 36.36 2k8m s LYS 52 CO 0.04 -0.03 1.06 0.21 0.10 0.00 0.00 175.35 176.74 2k8m s LYS 53 N -1.07 0.50 -0.22 1.78 2.20 -1.26 -4.60 119.74 117.07 2k8m s LYS 53 Ca 0.08 0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.71 2k8m s LYS 53 Cb -0.01 0.23 0.07 0.00 -1.51 0.00 0.00 37.83 36.62 2k8m s LYS 53 CO -0.07 -0.15 0.51 0.12 -0.36 0.00 0.00 175.35 175.40 2k8m s PHE 54 N -1.06 -0.82 -0.34 4.03 5.36 -1.25 -5.00 117.98 118.90 2k8m s PHE 54 Ca 0.00 1.64 -0.11 0.00 -0.96 0.00 0.00 56.93 57.51 2k8m s PHE 54 Cb -0.01 0.42 -0.00 0.00 -0.34 0.00 0.00 43.02 43.09 2k8m s PHE 54 CO -0.00 -0.44 0.20 -2.00 -1.46 0.00 0.00 175.22 171.52 2k8m s GLU 55 N 1.70 3.29 1.00 10.12 2.56 -1.26 -3.06 118.70 133.05 2k8m s GLU 55 Ca -0.09 -0.77 -0.15 0.00 0.00 0.00 0.00 54.97 53.96 2k8m s GLU 55 Cb -0.08 -3.69 0.19 0.00 2.00 0.00 0.00 34.13 32.55 2k8m s GLU 55 CO -0.15 -0.49 1.17 0.95 -0.56 0.00 0.00 175.26 176.18 2k8m s THR 56 N 1.64 1.89 0.35 -1.70 -4.23 -1.21 -5.00 115.64 107.38 2k8m s THR 56 Ca 0.05 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.28 2k8m s THR 56 Cb -0.18 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 2k8m s THR 56 CO 0.08 0.00 1.18 -0.75 -0.54 0.00 0.00 174.62 174.59 2k8m s LYS 57 N -5.45 4.30 -0.46 3.99 2.20 -1.26 -4.92 119.74 118.15 2k8m s LYS 57 Ca 0.68 1.92 -0.27 0.00 -0.36 0.00 0.00 55.97 57.94 2k8m s LYS 57 Cb -0.11 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2k8m s LYS 57 CO 0.54 -0.13 1.98 0.54 -0.36 0.00 0.00 175.35 177.92 2k8m s VAL 58 N -1.28 3.30 -1.33 4.02 0.11 -1.26 -4.78 120.40 119.18 2k8m s VAL 58 Ca 0.51 0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 59.66 2k8m s VAL 58 Cb -0.33 -3.57 0.10 0.00 -1.53 0.00 0.00 36.38 31.05 2k8m s VAL 58 CO 0.43 -0.48 1.86 1.41 -3.33 0.00 0.00 175.10 174.98 2k8m n HIS 59 N 12.45 4.03 -2.02 1.54 -0.00 -1.26 -4.97 115.22 124.98 2k8m n HIS 59 Ca 0.25 -2.97 -0.41 0.00 -0.00 0.00 0.00 57.72 54.59 2k8m n HIS 59 Cb 0.50 -2.38 -0.02 0.00 -0.00 0.00 0.00 29.99 28.09 2k8m n HIS 59 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 2k8m s ARG 60 N 2.59 4.28 -0.59 -0.41 1.04 -1.26 -3.61 118.95 120.98 2k8m s ARG 60 Ca 0.47 2.31 -0.17 0.00 -1.04 0.00 0.00 55.73 57.30 2k8m s ARG 60 Cb 0.07 -3.08 0.02 0.00 -2.04 0.00 0.00 34.95 29.93 2k8m s ARG 60 CO -0.00 -0.36 0.64 1.63 -0.04 0.00 0.00 175.30 177.17 2k8m n LYS 61 N 1.56 -1.84 -3.62 3.89 4.76 -0.97 -4.96 118.16 116.99 2k8m n LYS 61 Ca 0.04 1.44 -0.10 0.00 -2.87 0.00 0.00 58.31 56.82 2k8m n LYS 61 Cb 0.41 -3.64 -0.06 0.00 -1.84 0.00 0.00 35.03 29.89 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 -2.40 0.00 -1.04 -0.18 -1.32 -0.57 -4.91 115.64 105.21 2k8m s THR 62 Ca 0.19 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.77 2k8m s THR 62 Cb -0.03 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.17 2k8m s THR 62 CO 0.83 0.00 1.08 0.18 -2.21 0.00 0.00 174.62 174.51 2k8m n LEU 63 N 1.79 2.49 -3.03 9.08 4.32 -1.26 -4.30 117.00 126.09 2k8m n LEU 63 Ca -0.12 -1.62 -0.15 0.00 -0.02 0.00 0.00 56.01 54.10 2k8m n LEU 63 Cb 0.56 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 2k8m n LEU 63 CO 0.06 0.58 -0.08 -3.20 -1.22 0.00 0.00 177.39 173.54 2k8m n ASN 64 N 0.51 -1.84 -4.66 -1.43 5.15 -1.26 -2.15 115.26 109.58 2k8m n ASN 64 Ca 0.09 -2.77 -0.43 0.00 -0.60 0.00 0.00 54.58 50.88 2k8m n ASN 64 Cb 0.36 0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 40.23 2k8m n ASN 64 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2k8m s PRO 65 N 0.26 4.24 -0.33 1.20 0.02 -1.22 -4.93 135.00 134.24 2k8m s PRO 65 Ca 0.32 1.43 -0.03 0.00 0.02 0.00 0.00 61.00 62.74 2k8m s PRO 65 Cb 0.08 -3.68 0.06 0.00 0.02 0.00 0.00 34.50 30.98 2k8m s PRO 65 CO -0.14 -0.67 0.06 0.08 -0.33 0.00 0.00 177.00 176.01 2k8m s VAL 66 N 3.31 3.16 0.00 3.83 1.01 -1.26 -2.96 120.40 127.48 2k8m s VAL 66 Ca 0.47 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2k8m s VAL 66 Cb -0.17 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2k8m s VAL 66 CO 0.09 -0.27 0.00 0.33 0.00 0.00 0.00 175.10 175.25 2k8m n PHE 67 N 4.63 0.00 -3.41 5.22 -0.00 -1.20 -5.06 117.46 117.65 2k8m n PHE 67 Ca -0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.18 2k8m n PHE 67 Cb 0.43 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 40.00 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 -1.29 -2.57 -4.77 -2.13 4.05 -0.73 -4.96 115.26 102.86 2k8m n ASN 68 Ca 0.00 -0.59 -0.38 0.00 0.45 0.00 0.00 54.58 54.06 2k8m n ASN 68 Cb 0.03 -4.97 -0.03 0.00 1.23 0.00 0.00 39.78 36.03 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2k8m s GLU 69 N -5.44 4.27 -0.14 1.20 2.02 -1.21 -4.75 118.70 114.65 2k8m s GLU 69 Ca 0.07 1.73 -0.07 0.00 0.02 0.00 0.00 54.97 56.72 2k8m s GLU 69 Cb -0.03 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2k8m s GLU 69 CO 0.71 -0.10 0.10 -1.14 0.02 0.00 0.00 175.26 174.85 2k8m s GLN 70 N -2.10 3.63 -0.10 1.61 -0.44 -1.26 -3.14 119.66 117.86 2k8m s GLN 70 Ca 0.53 -0.23 0.04 0.00 -2.50 0.00 0.00 55.36 53.20 2k8m s GLN 70 Cb -0.28 -3.18 -0.00 0.00 -1.64 0.00 0.00 33.01 27.90 2k8m s GLN 70 CO 0.36 0.58 -0.23 0.12 0.50 0.00 0.00 175.29 176.62 2k8m s PHE 71 N -0.47 2.58 -0.51 1.67 5.36 -0.20 -4.99 117.98 121.43 2k8m s PHE 71 Ca 0.11 -0.96 -0.21 0.00 -0.96 0.00 0.00 56.93 54.91 2k8m s PHE 71 Cb -0.12 -1.71 0.05 0.00 -0.34 0.00 0.00 43.02 40.90 2k8m s PHE 71 CO 0.02 -0.37 0.73 0.95 -1.46 0.00 0.00 175.22 175.10 2k8m s THR 72 N 0.27 4.70 -1.30 0.12 -4.23 -1.26 -1.32 115.64 112.62 2k8m s THR 72 Ca -0.16 -0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.05 2k8m s THR 72 Cb -0.17 -4.36 0.05 0.00 1.34 0.00 0.00 72.50 69.35 2k8m s THR 72 CO 0.08 -0.87 1.80 0.33 -0.54 0.00 0.00 174.62 175.42 2k8m n PHE 73 N 6.62 4.34 -1.93 3.99 7.35 0.35 -4.91 117.46 133.26 2k8m n PHE 73 Ca -0.03 -2.70 -0.25 0.00 -0.76 0.00 0.00 57.45 53.71 2k8m n PHE 73 Cb 0.46 -2.62 -0.05 0.00 0.35 0.00 0.00 39.48 37.62 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 4.38 2.33 -0.29 -4.13 -0.14 -1.26 -2.10 119.74 118.53 2k8m s LYS 74 Ca 0.55 0.02 -0.20 0.00 -1.36 0.00 0.00 55.97 54.98 2k8m s LYS 74 Cb 0.05 -4.92 0.13 0.00 -1.68 0.00 0.00 37.83 31.40 2k8m s LYS 74 CO 0.07 -3.56 0.97 0.08 -0.76 0.00 0.00 175.35 172.16 2k8m s VAL 75 N 11.11 0.00 0.31 3.17 1.01 -1.24 -4.87 120.40 129.91 2k8m s VAL 75 Ca 0.76 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 2k8m s VAL 75 Cb -0.09 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.16 2k8m s VAL 75 CO 0.04 0.00 1.28 -2.65 0.00 0.00 0.00 175.10 173.77 2k8m n PRO 76 N 3.12 2.02 0.31 2.72 -0.02 -1.25 -3.98 135.00 137.92 2k8m n PRO 76 Ca -0.16 0.71 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 2k8m n PRO 76 Cb 0.57 -2.28 0.99 0.00 -0.02 0.00 0.00 33.50 32.76 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 2.82 0.00 0.00 6.00 -0.00 -1.93 0.10 116.97 123.97 2k8m h TYR 77 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 2k8m h TYR 77 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 2k8m h TYR 77 CO 0.51 0.00 0.00 0.77 -0.00 0.00 0.00 178.16 179.45 2k8m h SER 78 N 0.00 0.00 -0.42 0.10 0.02 -1.99 -2.97 113.55 108.29 2k8m h SER 78 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k8m h SER 78 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 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 -2.68 2.86 0.25 3.45 1.02 0.34 -4.46 120.64 121.42 2k8m n GLU 79 Ca 0.03 -2.19 0.14 0.00 -0.02 0.00 0.00 57.16 55.12 2k8m n GLU 79 Cb 0.38 -1.34 0.50 0.00 -0.02 0.00 0.00 31.44 30.96 2k8m n GLU 79 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2k8m h LEU 80 N 2.46 0.00 -0.63 -4.62 -0.00 -1.33 -3.19 115.31 108.01 2k8m h LEU 80 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2k8m h LEU 80 Cb 0.80 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.42 2k8m h LEU 80 CO 0.01 0.08 0.39 1.23 -0.00 0.00 0.00 178.44 180.15 2k8m h GLY 81 N 2.51 0.89 -3.77 0.17 0.00 -1.79 -2.56 103.07 98.52 2k8m h GLY 81 Ca -0.00 -0.30 -0.59 0.00 0.00 0.00 0.00 47.33 46.44 2k8m h GLY 81 CO 0.01 0.26 0.30 0.61 0.00 0.00 0.00 176.54 177.72 2k8m n GLY 82 N -1.27 5.84 2.50 4.60 0.00 -1.21 -3.69 105.19 111.97 2k8m n GLY 82 Ca 0.06 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 2k8m n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k8m n LYS 83 N -0.90 1.00 -2.77 1.61 3.00 -0.96 -5.03 118.16 114.11 2k8m n LYS 83 Ca 0.55 -3.71 -0.42 0.00 -0.00 0.00 0.00 58.31 54.72 2k8m n LYS 83 Cb 0.86 -1.83 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 2k8m n LYS 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2k8m s THR 84 N -0.87 4.78 0.07 3.15 2.01 -1.26 -4.48 115.64 119.04 2k8m s THR 84 Ca 0.32 1.85 -0.02 0.00 0.31 0.00 0.00 61.69 64.15 2k8m s THR 84 Cb 0.05 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2k8m s THR 84 CO -0.15 -0.07 0.25 -1.48 -0.69 0.00 0.00 174.62 172.48 2k8m s LEU 85 N 2.60 4.34 -0.03 4.42 2.34 -1.26 -3.86 118.68 127.24 2k8m s LEU 85 Ca 0.42 0.38 0.06 0.00 0.06 0.00 0.00 54.13 55.05 2k8m s LEU 85 Cb -0.16 -2.99 -0.01 0.00 -0.56 0.00 0.00 46.19 42.47 2k8m s LEU 85 CO 0.10 0.16 -0.22 0.68 -1.06 0.00 0.00 176.35 176.01 2k8m s VAL 86 N -1.51 1.76 -0.50 1.48 -7.23 -0.22 -3.13 120.40 111.04 2k8m s VAL 86 Ca 0.35 -0.94 -0.06 0.00 -1.81 0.00 0.00 61.98 59.52 2k8m s VAL 86 Cb -0.13 -1.47 0.13 0.00 0.56 0.00 0.00 36.38 35.47 2k8m s VAL 86 CO 0.25 0.50 0.35 -0.32 -0.31 0.00 0.00 175.10 175.56 2k8m s MET 87 N -0.41 2.41 -0.22 4.82 1.75 0.58 -1.45 119.30 126.78 2k8m s MET 87 Ca 0.06 -1.96 -0.12 0.00 -1.25 0.00 0.00 55.69 52.42 2k8m s MET 87 Cb -0.10 -3.82 -0.05 0.00 2.84 0.00 0.00 34.83 33.71 2k8m s MET 87 CO 0.00 -1.16 0.22 0.00 -0.65 0.00 0.00 175.02 173.43 2k8m s ALA 88 N 0.97 3.60 -0.26 4.11 0.00 -1.22 -2.41 121.76 126.56 2k8m s ALA 88 Ca 0.09 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 2k8m s ALA 88 Cb -0.23 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2k8m s ALA 88 CO -0.03 -0.16 0.28 0.54 0.00 0.00 0.00 175.76 176.39 2k8m s VAL 89 N 1.01 5.25 0.12 0.00 0.11 -0.85 -0.33 120.40 125.71 2k8m s VAL 89 Ca 0.11 0.39 0.04 0.00 -2.93 0.00 0.00 61.98 59.59 2k8m s VAL 89 Cb -0.13 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2k8m s VAL 89 CO 0.05 0.23 0.09 -0.31 -3.33 0.00 0.00 175.10 171.83 2k8m s TYR 90 N 1.71 3.15 0.19 1.54 1.51 0.77 -2.66 117.35 123.56 2k8m s TYR 90 Ca 0.12 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 2k8m s TYR 90 Cb -0.15 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 2k8m s TYR 90 CO 0.09 0.52 0.32 0.34 -1.11 0.00 0.00 175.55 175.71 2k8m s ASP 91 N -2.68 6.33 -0.36 2.29 2.15 -1.24 0.08 116.67 123.22 2k8m s ASP 91 Ca 0.30 0.12 0.14 0.00 0.43 0.00 0.00 52.55 53.54 2k8m s ASP 91 Cb -0.11 -1.88 0.42 0.00 -0.30 0.00 0.00 42.92 41.04 2k8m s ASP 91 CO 0.22 -0.01 0.91 0.33 -0.17 0.00 0.00 175.17 176.46 2k8m n PHE 92 N -0.97 1.36 0.31 -5.34 7.35 0.37 -4.83 117.46 115.71 2k8m n PHE 92 Ca -0.08 -3.18 0.19 0.00 -0.76 0.00 0.00 57.45 53.62 2k8m n PHE 92 Cb 0.55 -0.36 1.00 0.00 0.35 0.00 0.00 39.48 41.03 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 2.95 0.00 -0.82 -2.13 2.03 -1.89 -3.44 116.42 113.11 2k8m h ASP 93 Ca 0.02 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.09 2k8m h ASP 93 Cb 1.05 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.48 2k8m h ASP 93 CO 0.56 0.00 -0.23 0.54 -1.03 0.00 0.00 179.24 179.08 2k8m n ARG 94 N -2.89 -0.82 0.02 4.15 3.00 -1.26 -4.78 116.66 114.08 2k8m n ARG 94 Ca -0.02 0.81 0.00 0.00 -0.01 0.00 0.00 57.85 58.62 2k8m n ARG 94 Cb 0.17 -4.82 0.00 0.00 0.00 0.00 0.00 32.46 27.81 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 -3.02 -0.85 -1.65 -1.55 7.35 -1.26 -5.13 117.46 111.35 2k8m n PHE 95 Ca -0.12 0.09 -0.29 0.00 -0.76 0.00 0.00 57.45 56.37 2k8m n PHE 95 Cb 0.43 0.61 0.11 0.00 0.35 0.00 0.00 39.48 40.98 2k8m n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k8m s SER 96 N -3.46 4.06 -1.44 -2.13 0.01 -1.26 -4.90 113.70 104.58 2k8m s SER 96 Ca 0.00 1.00 -0.15 0.00 1.31 0.00 0.00 55.95 58.11 2k8m s SER 96 Cb 0.00 -1.60 0.04 0.00 0.21 0.00 0.00 66.02 64.68 2k8m s SER 96 CO 0.00 -2.21 2.16 0.29 0.41 0.00 0.00 173.24 173.89 2k8m n LYS 97 N -3.55 2.90 -1.65 12.44 4.76 -1.26 -4.87 118.16 126.94 2k8m n LYS 97 Ca 0.07 -2.70 -0.48 0.00 -2.87 0.00 0.00 58.31 52.32 2k8m n LYS 97 Cb 0.59 -3.32 -0.05 0.00 -1.84 0.00 0.00 35.03 30.41 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 6.44 2.03 -3.06 2.13 1.44 -1.26 -4.99 115.22 117.95 2k8m n HIS 98 Ca 0.52 0.38 0.00 0.00 -2.01 0.00 0.00 57.72 56.60 2k8m n HIS 98 Cb 0.40 -2.48 0.00 0.00 0.12 0.00 0.00 29.99 28.03 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 3.41 0.73 -4.61 4.39 -0.08 -1.26 -4.80 116.55 114.33 2k8m n ASP 99 Ca 0.18 -0.69 -0.42 0.00 -1.51 0.00 0.00 54.79 52.35 2k8m n ASP 99 Cb 0.25 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.67 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 0.69 4.69 0.27 5.18 1.01 -1.26 -3.69 121.20 128.10 2k8m s ILE 100 Ca 0.00 1.18 0.21 0.00 0.00 0.00 0.00 60.65 62.03 2k8m s ILE 100 Cb 0.00 -4.24 0.19 0.00 0.01 0.00 0.00 42.46 38.42 2k8m s ILE 100 CO 0.00 -0.39 1.86 0.16 0.00 0.00 0.00 174.94 176.57 2k8m h ILE 101 N 5.71 0.81 0.00 2.92 -2.65 -1.85 -3.43 117.51 119.01 2k8m h ILE 101 Ca -0.24 -1.12 0.00 0.00 1.03 0.00 0.00 64.86 64.53 2k8m h ILE 101 Cb 1.09 1.69 0.00 0.00 -2.05 0.00 0.00 36.82 37.54 2k8m h ILE 101 CO 0.93 0.27 0.00 0.61 0.03 0.00 0.00 178.15 179.99 2k8m n GLY 102 N -0.18 0.26 3.50 0.16 0.00 -1.26 -4.31 105.19 103.35 2k8m n GLY 102 Ca -0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 0.83 0.03 1.61 -1.05 -0.39 -2.01 118.70 115.73 2k8m s GLU 103 Ca 0.00 -0.27 -0.04 0.00 -0.15 0.00 0.00 54.97 54.51 2k8m s GLU 103 Cb 0.00 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 2k8m s GLU 103 CO 0.00 -0.36 0.05 -0.59 0.95 0.00 0.00 175.26 175.31 2k8m s PHE 104 N -3.00 0.26 -0.02 4.83 -0.71 -1.01 -4.22 117.98 114.10 2k8m s PHE 104 Ca 0.04 -0.58 -0.02 0.00 -1.04 0.00 0.00 56.93 55.33 2k8m s PHE 104 Cb -0.01 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.62 2k8m s PHE 104 CO -0.08 -0.32 0.05 -1.59 -1.34 0.00 0.00 175.22 171.94 2k8m s LYS 105 N -2.46 0.07 -0.11 1.99 0.00 -1.26 -0.31 119.74 117.66 2k8m s LYS 105 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 55.97 56.00 2k8m s LYS 105 Cb -0.02 0.03 0.01 0.00 0.00 0.00 0.00 37.83 37.85 2k8m s LYS 105 CO -0.04 -0.01 -0.19 0.54 0.00 0.00 0.00 175.35 175.64 2k8m s VAL 106 N 0.00 1.78 -0.45 1.79 0.11 -1.18 -5.04 120.40 117.42 2k8m s VAL 106 Ca -0.00 -0.83 -0.28 0.00 -2.93 0.00 0.00 61.98 57.94 2k8m s VAL 106 Cb -0.01 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 2k8m s VAL 106 CO 0.00 0.50 1.76 -2.16 -3.33 0.00 0.00 175.10 171.86 2k8m s PRO 107 N 0.69 3.12 0.14 1.54 0.04 -1.26 -4.01 135.00 135.26 2k8m s PRO 107 Ca -0.12 1.05 0.16 0.00 0.04 0.00 0.00 61.00 62.13 2k8m s PRO 107 Cb -0.16 -4.24 0.70 0.00 0.04 0.00 0.00 34.50 30.84 2k8m s PRO 107 CO 0.02 -2.12 1.48 -1.33 0.04 0.00 0.00 177.00 175.09 2k8m n MET 108 N 8.65 0.08 -0.03 4.56 2.81 -1.26 -1.87 117.12 130.06 2k8m n MET 108 Ca 0.21 0.43 -0.08 0.00 -1.81 0.00 0.00 57.70 56.44 2k8m n MET 108 Cb 0.49 -1.70 0.09 0.00 -0.71 0.00 0.00 33.22 31.39 2k8m n MET 108 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2k8m h ASN 109 N 0.00 0.68 0.82 7.83 -1.24 -1.69 -3.10 115.58 118.88 2k8m h ASN 109 Ca 0.00 -0.30 -0.24 0.00 0.71 0.00 0.00 56.30 56.48 2k8m h ASN 109 Cb 0.19 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 2k8m h ASN 109 CO 0.00 0.99 -1.24 0.74 -1.29 0.00 0.00 177.43 176.63 2k8m h THR 110 N 0.54 1.43 -2.78 -3.57 2.02 -1.71 -3.43 112.91 105.40 2k8m h THR 110 Ca 0.05 -3.18 -0.60 0.00 0.77 0.00 0.00 66.41 63.45 2k8m h THR 110 Cb 0.89 2.72 -0.12 0.00 -1.74 0.00 0.00 68.15 69.90 2k8m h THR 110 CO 0.08 0.82 0.69 -0.69 0.37 0.00 0.00 175.52 176.79 2k8m s VAL 111 N -2.67 4.19 0.44 3.16 1.01 -1.10 -5.02 120.40 120.41 2k8m s VAL 111 Ca -0.01 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 2k8m s VAL 111 Cb 0.09 -4.70 -0.10 0.00 0.00 0.00 0.00 36.38 31.67 2k8m s VAL 111 CO 0.82 -1.44 0.96 1.51 0.00 0.00 0.00 175.10 176.96 2k8m s ASP 112 N 3.40 6.85 -1.28 3.32 -4.77 -1.26 -4.83 116.67 118.10 2k8m s ASP 112 Ca 0.29 1.71 -0.07 0.00 -3.30 0.00 0.00 52.55 51.18 2k8m s ASP 112 Cb -0.13 -2.54 0.02 0.00 -1.09 0.00 0.00 42.92 39.18 2k8m s ASP 112 CO 0.15 -0.43 2.69 2.22 0.70 0.00 0.00 175.17 180.50 2k8m n PHE 113 N -0.74 2.31 -0.14 2.11 1.16 -1.26 -4.63 117.46 116.27 2k8m n PHE 113 Ca 0.07 -2.77 -0.09 0.00 -1.87 0.00 0.00 57.45 52.79 2k8m n PHE 113 Cb 0.54 -2.01 -0.01 0.00 -1.61 0.00 0.00 39.48 36.39 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 5.89 0.65 0.00 4.97 0.00 -2.01 -3.47 103.07 109.10 2k8m h GLY 114 Ca 0.71 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2k8m h GLY 114 CO 1.46 0.35 0.00 1.57 0.00 0.00 0.00 176.54 179.92 2k8m n HIS 115 N -4.62 0.00 -3.85 5.60 -0.00 -1.26 -5.15 115.22 105.94 2k8m n HIS 115 Ca -0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.05 2k8m n HIS 115 Cb 0.16 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.90 2k8m n HIS 115 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2k8m s VAL 116 N 0.00 -0.00 -0.92 3.57 -7.23 -1.26 -4.47 120.40 110.09 2k8m s VAL 116 Ca 0.00 0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.14 2k8m s VAL 116 Cb 0.00 -0.08 0.23 0.00 0.56 0.00 0.00 36.38 37.09 2k8m s VAL 116 CO 0.00 0.01 0.83 -0.89 -0.31 0.00 0.00 175.10 174.73 2k8m s THR 117 N 0.09 4.80 -0.29 5.32 2.01 0.13 -4.95 115.64 122.75 2k8m s THR 117 Ca -0.01 -3.57 -0.08 0.00 0.31 0.00 0.00 61.69 58.35 2k8m s THR 117 Cb -0.01 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2k8m s THR 117 CO -0.00 -1.09 0.11 -1.61 -0.69 0.00 0.00 174.62 171.34 2k8m s GLU 118 N -1.09 3.39 0.28 4.92 2.02 -1.26 -1.30 118.70 125.66 2k8m s GLU 118 Ca 0.26 -0.67 -0.14 0.00 0.02 0.00 0.00 54.97 54.44 2k8m s GLU 118 Cb -0.09 -3.44 0.01 0.00 0.10 0.00 0.00 34.13 30.71 2k8m s GLU 118 CO -0.10 -0.34 0.57 -1.83 0.02 0.00 0.00 175.26 173.58 2k8m s GLU 119 N 1.59 1.71 -0.88 1.61 -1.05 -1.07 -5.02 118.70 115.60 2k8m s GLU 119 Ca 0.05 -1.24 -0.10 0.00 -0.15 0.00 0.00 54.97 53.52 2k8m s GLU 119 Cb -0.16 0.52 0.23 0.00 -0.44 0.00 0.00 34.13 34.27 2k8m s GLU 119 CO 0.04 -0.74 0.81 -1.58 0.95 0.00 0.00 175.26 174.74 2k8m s TRP 120 N -3.74 3.85 0.26 4.83 0.23 -1.26 -2.90 118.94 120.21 2k8m s TRP 120 Ca 0.19 -2.34 -0.29 0.00 -2.03 0.00 0.00 56.10 51.63 2k8m s TRP 120 Cb -0.03 -3.70 -0.09 0.00 0.03 0.00 0.00 33.47 29.68 2k8m s TRP 120 CO 0.10 -0.94 1.20 0.50 0.96 0.00 0.00 176.95 178.76 2k8m s ARG 121 N -0.33 4.51 0.49 4.98 6.06 -0.37 -4.83 118.95 129.46 2k8m s ARG 121 Ca 0.22 1.95 -0.19 0.00 -2.50 0.00 0.00 55.73 55.21 2k8m s ARG 121 Cb -0.11 -3.17 -0.09 0.00 0.06 0.00 0.00 34.95 31.64 2k8m s ARG 121 CO -0.08 -0.01 0.99 0.16 -2.50 0.00 0.00 175.30 173.86 2k8m s ASP 122 N -0.42 6.60 -0.07 -2.12 -4.77 -1.26 -0.10 116.67 114.54 2k8m s ASP 122 Ca 0.49 1.70 0.03 0.00 -3.30 0.00 0.00 52.55 51.47 2k8m s ASP 122 Cb -0.35 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 38.93 2k8m s ASP 122 CO 0.43 -0.60 -0.15 -0.76 0.70 0.00 0.00 175.17 174.78 2k8m s LEU 123 N -3.71 2.64 0.06 2.11 1.43 0.32 -4.77 118.68 116.76 2k8m s LEU 123 Ca 0.62 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 2k8m s LEU 123 Cb -0.11 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 2k8m s LEU 123 CO 0.24 0.30 -0.11 0.00 0.23 0.00 0.00 176.35 177.00 2k8m s GLN 124 N -0.44 0.70 0.27 1.70 -2.07 -1.26 -1.76 119.66 116.80 2k8m s GLN 124 Ca 0.05 -0.91 -0.22 0.00 -1.82 0.00 0.00 55.36 52.47 2k8m s GLN 124 Cb -0.12 -0.56 -0.09 0.00 -1.09 0.00 0.00 33.01 31.15 2k8m s GLN 124 CO 0.02 0.11 0.81 -1.54 -1.32 0.00 0.00 175.29 173.37 2k8m s SER 125 N -1.78 7.16 -0.29 12.60 1.04 -1.25 -1.26 113.70 129.92 2k8m s SER 125 Ca -0.04 1.58 0.02 0.00 0.48 0.00 0.00 55.95 57.99 2k8m s SER 125 Cb -0.09 -2.48 0.18 0.00 0.10 0.00 0.00 66.02 63.73 2k8m s SER 125 CO 0.01 -0.02 0.51 0.00 0.98 0.00 0.00 173.24 174.73 2k8m s ALA 126 N -1.58 -1.85 0.07 5.32 0.00 -1.26 -4.82 121.76 117.65 2k8m s ALA 126 Ca 0.46 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 53.08 2k8m s ALA 126 Cb -0.17 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 2k8m s ALA 126 CO 0.22 -1.63 1.30 -1.21 0.00 0.00 0.00 175.76 174.45 2k8m s GLU 127 N 2.71 4.36 0.00 0.00 8.01 -1.26 -4.71 118.70 127.82 2k8m s GLU 127 Ca 0.13 1.92 0.07 0.00 0.01 0.00 0.00 54.97 57.09 2k8m s GLU 127 Cb -0.12 -3.34 0.06 0.00 -4.31 0.00 0.00 34.13 26.41 2k8m s GLU 127 CO -0.25 -0.38 0.73 1.63 0.01 0.00 0.00 175.26 177.00